#DEFINITION	Reference Metabolome for Juncus setchuensis
#IDENTTFIER	RefMeta-Juncus setchuensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Juncus setchuensis
#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 Juncus setchuensis 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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19260	1.4
55.81622	1.6
56.96580	2.5
57.94861	1.7
58.96152	2.4
59.99936	1.8
70.73220	1.8
70.73537	3.6
82.01445	1.6
82.99840	6.3
83.01480	11.0
84.01211	3.3
100.02474	3.1
100.97214	1.9
101.00890	47.2
101.02566	24.4
102.02256	3.1
112.47856	1.5
119.01929	100.0
119.03636	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	101.009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26000	0.9
55.05500	1.6
56.96574	24.9
57.03434	1.7
58.96162	3.8
60.95861	3.4
68.00274	4.4
70.09504	1.9
70.09897	3.0
70.98138	5.4
70.99875	2.0
71.95267	1.7
73.02913	1.0
73.94859	1.2
75.01031	1.1
77.00791	4.3
82.01459	1.5
82.99848	6.1
83.00784	1.0
83.01531	3.1
88.99165	0.9
89.00802	1.2
90.01554	0.9
98.01284	2.1
98.97598	4.7
100.02485	2.3
100.97195	2.6
100.98005	2.0
101.00893	52.7
101.02573	8.6
102.02259	1.5
110.97604	1.2
112.07147	0.9
117.95931	1.0
119.01932	100.0
119.03677	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	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01332	1.6
71.04987	5.2
73.02911	5.0
74.92883	1.4
79.05498	63.6
81.03424	12.3
81.07063	76.6
83.01361	1.8
83.04990	8.4
83.08625	16.2
85.02905	27.3
85.06554	4.2
85.56351	1.2
87.04476	6.8
91.03968	9.2
91.04895	1.7
91.05482	43.5
93.07047	55.5
95.04448	1.4
95.04965	8.7
95.08614	52.2
97.02892	12.1
97.06522	7.6
97.10178	20.1
99.04433	3.1
99.08086	2.7
103.05473	1.4
105.04511	2.4
105.07034	23.8
107.04955	5.6
107.08604	38.7
107.23623	1.1
109.02856	1.7
109.06532	4.2
109.10159	76.4
111.04468	2.6
111.08086	5.3
115.03941	1.6
117.07019	11.3
118.62574	1.1
119.08582	24.1
121.06481	1.7
121.10149	26.3
123.08082	3.0
123.11727	5.9
125.09635	17.3
127.03953	3.6
129.05467	2.5
129.07053	3.0
131.08566	16.3
133.10141	10.3
135.11690	19.9
137.09639	4.3
137.13271	1.7
143.08594	2.8
143.10707	3.2
145.05023	6.4
145.10138	14.0
147.11707	8.3
149.09618	2.6
149.13235	7.2
153.12791	3.3
155.08635	1.4
155.10696	8.0
157.10176	3.7
159.11674	8.1
161.09566	1.3
161.13249	6.2
163.06033	5.3
163.11169	10.5
163.14813	3.5
165.12831	1.4
171.10252	1.9
171.11664	2.4
173.11751	15.8
173.13289	8.6
173.14674	1.3
175.11182	2.7
175.14868	2.6
177.37756	1.2
180.08768	1.3
181.12260	2.3
185.11809	1.5
185.13286	1.7
187.14801	1.3
189.11159	1.5
191.10722	3.0
191.14436	1.6
193.12271	4.0
197.13145	1.4
199.13306	7.5
201.16515	1.4
209.11670	7.9
211.13229	2.4
217.14580	1.8
227.12761	12.6
229.14365	64.1
230.14610	1.6
241.19681	1.7
243.21040	6.5
245.13759	1.7
257.13809	1.6
259.20712	1.5
261.22147	22.6
267.15939	6.3
283.15396	3.5
284.85522	1.4
297.21851	1.7
301.16473	19.0
315.23221	3.6
317.24750	2.7
327.23291	2.7
335.25821	100.0
336.26019	2.2
363.25027	2.1
389.27048	1.6
391.92242	1.5
399.23871	23.0
459.34293	1.4
477.35782	9.3
489.35779	22.9
517.34961	1.7
543.36768	5.8
561.37677	10.6
579.38867	4.7
659.45282	34.2
660.26483	1.6
1018.56396	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	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	2.2
71.04987	3.4
73.02909	4.4
79.05499	48.8
81.03426	9.0
81.07061	66.1
82.07417	0.8
83.04992	5.8
83.08632	15.6
85.02435	1.3
85.02914	20.9
85.06533	2.7
87.04480	4.7
91.03974	8.2
91.05487	33.1
92.39716	0.7
93.07047	45.2
94.07880	0.8
95.04970	7.6
95.08612	43.5
95.39247	0.9
96.08951	1.0
97.02898	10.5
97.06535	4.8
97.07055	0.7
97.10179	16.0
99.04437	1.0
99.08086	1.8
103.03950	1.2
105.04497	1.8
105.07037	18.8
107.04961	2.4
107.08599	30.8
109.06519	3.1
109.10162	62.4
111.04419	1.7
111.08090	4.3
116.06226	0.9
117.07044	8.2
119.08598	17.7
121.06484	1.5
121.10148	20.9
123.08076	2.8
123.11706	5.6
125.09643	15.5
127.03917	4.0
127.11143	1.0
129.05467	2.8
129.07039	2.8
131.08583	12.2
131.46043	0.7
133.10129	12.4
135.08028	1.5
135.11699	15.9
135.40536	0.8
137.09599	3.4
137.13281	2.0
139.11221	1.3
143.07069	0.9
143.08559	1.3
143.10686	2.4
145.04984	4.2
145.10117	11.7
147.08066	1.2
147.11693	7.2
149.09642	2.4
149.13255	7.9
151.11214	1.7
153.12746	2.8
155.08533	1.3
155.10640	3.9
157.10159	1.4
159.11702	7.9
161.13290	5.2
163.06071	3.9
163.11205	7.3
163.14841	3.0
171.10260	1.0
171.11670	1.9
173.09570	1.6
173.11748	17.7
173.13277	6.9
175.11208	2.1
175.14864	1.7
177.12769	0.9
177.16428	1.2
181.12251	2.6
182.39017	0.7
183.11638	0.8
185.13242	1.8
187.14786	4.0
189.11256	1.8
189.16370	0.9
191.10699	2.2
191.14093	0.9
193.12263	3.3
193.15654	0.8
197.13214	0.7
199.13290	6.3
199.14851	1.2
201.16466	1.2
209.11790	5.5
211.13167	1.1
217.14316	1.3
227.12830	8.9
229.14360	52.8
230.14662	1.4
233.22771	1.0
241.14407	1.1
243.21085	6.5
245.13777	1.9
257.13873	3.2
259.20679	1.5
261.22144	21.9
267.16010	5.2
271.20544	1.1
277.21463	2.1
283.15417	3.8
285.16949	1.5
289.21661	1.1
297.22308	1.2
299.23822	0.9
301.16479	16.7
315.23257	2.1
317.24866	3.3
327.23276	1.3
335.25818	100.0
336.26224	2.8
345.23996	0.8
351.25308	1.1
363.25583	1.6
397.30545	0.9
399.23825	13.8
415.32181	1.2
419.28012	1.0
451.32376	0.8
459.34744	0.9
469.32932	1.1
477.35794	7.7
487.33948	1.0
489.35858	24.7
490.36029	1.1
517.35559	0.9
543.36578	4.2
545.38513	1.2
561.37927	12.2
579.39081	5.4
659.45203	42.1
660.45453	2.8
771.70044	0.8
969.19611	0.8
1018.55524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04975	4.7
71.56173	2.4
73.02907	3.3
79.05493	44.1
81.03413	9.0
81.07063	66.0
83.04980	5.8
83.08627	13.8
85.02901	24.8
85.06535	4.3
87.04482	4.3
91.03971	9.2
91.05486	32.2
93.06469	3.6
93.07047	53.3
95.04964	8.3
95.08055	3.2
95.08617	43.2
96.04509	1.6
97.02894	10.7
97.06517	5.7
97.10183	13.4
99.08049	2.8
105.07039	20.8
107.04974	4.2
107.08593	27.0
109.06515	4.1
109.10163	63.1
111.08067	4.7
117.07025	7.9
119.08592	18.9
120.42609	1.7
121.10148	19.3
123.08062	2.4
123.11668	5.5
125.09641	13.7
127.03913	3.3
129.05463	1.7
131.08571	12.3
133.10150	10.0
135.11711	15.4
137.09590	2.9
137.13187	2.4
145.04944	3.8
145.10146	11.2
147.11740	5.1
149.09691	2.3
149.13231	8.0
153.12775	4.0
155.10623	2.8
159.11711	6.9
161.13200	4.9
163.06007	4.6
163.11232	8.7
163.14865	6.0
171.11667	1.7
173.09622	2.5
173.10313	1.7
173.11728	16.6
173.13277	5.9
175.14763	2.1
181.12376	1.8
189.11273	2.1
191.10677	4.6
199.13277	5.2
201.16435	1.9
209.11713	5.8
217.32536	1.6
227.12773	9.9
229.14369	57.0
243.21063	5.5
257.13693	2.2
261.22205	24.9
267.16013	2.1
283.15445	3.4
301.16467	21.8
315.23318	2.8
317.24799	5.6
335.25815	100.0
337.27252	4.0
401.25467	12.1
477.35745	9.4
489.35678	23.6
543.36755	3.6
561.37964	14.5
579.38776	7.1
661.46753	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	1023.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	0.5
73.02923	2.8
76.29987	0.5
79.05491	2.3
81.03427	1.5
81.07058	3.2
83.04977	0.5
85.02911	5.4
88.72461	0.6
91.03988	2.8
91.05488	1.4
93.07061	1.7
95.08582	2.4
97.02898	5.6
99.04443	0.7
101.02392	1.8
105.07064	1.1
107.08609	1.1
109.02886	0.8
109.10162	3.1
115.04039	0.7
119.08620	0.9
121.10198	0.8
127.03958	2.2
132.08893	0.5
135.11682	0.6
145.05000	0.6
173.11812	0.6
183.06464	0.6
185.04276	1.6
203.05339	1.4
243.08557	1.6
249.38754	0.7
257.06345	0.5
301.08850	1.2
347.09454	3.9
363.08994	2.4
365.10895	1.2
405.13635	6.7
413.17795	3.7
463.14319	1.2
519.29248	7.2
535.16803	0.7
547.23700	1.8
575.23059	5.1
631.26044	0.7
681.34467	9.9
691.40070	2.7
711.32373	0.7
740.36041	2.9
753.36664	1.0
772.35449	0.7
795.41241	0.8
824.44836	1.9
853.45569	100.0
854.46094	4.6
879.46436	0.7
881.48688	3.7
909.47974	3.0
910.48511	0.6
1023.55005	11.8
1024.57629	0.7
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
50.70249	1.0
51.02372	3.9
53.03950	31.1
55.01849	0.8
56.96564	2.9
60.08158	1.8
60.95847	2.8
70.83871	1.4
70.84202	1.3
77.03938	8.7
81.03422	3.1
85.02879	1.4
88.01609	1.1
95.04971	29.1
95.05557	1.5
102.04685	5.6
102.96877	2.6
103.05473	100.0
104.05811	1.1
104.10742	4.4
105.04525	14.5
120.66935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15174	0.2
56.23570	0.2
58.06604	5.8
59.07388	1.9
60.08169	54.1
62.10396	0.3
69.03427	1.6
70.24899	0.6
86.06080	0.8
86.09671	0.3
86.36700	0.2
87.04479	3.3
93.45581	0.3
98.21372	0.3
104.10752	100.0
105.11096	0.8
111.49560	0.3
122.48881	0.2
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
56.96565	0.3
58.06604	4.8
59.07378	1.6
60.08169	49.2
61.35725	0.2
69.03452	0.6
71.08480	0.6
87.04467	1.4
104.10754	100.0
105.11086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	3.3
51.02385	12.1
52.56012	0.3
53.00300	0.4
53.03949	79.0
54.20069	0.4
55.01876	5.2
56.96565	1.8
60.08168	1.0
61.08503	1.2
67.89256	0.4
68.99792	0.6
69.76832	1.1
69.77242	0.9
70.03743	0.3
72.14015	0.4
77.03936	17.0
79.05500	6.4
81.03420	8.9
84.08105	0.4
84.85854	0.3
87.00829	1.2
91.48211	0.8
95.04973	100.0
96.05283	0.8
100.48740	0.5
103.05486	3.7
104.90189	0.3
104.90829	2.6
105.03397	70.8
105.04517	47.1
105.07029	11.0
105.07754	0.4
105.11065	2.9
106.03710	0.6
106.06533	0.5
118.06540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	3.2
51.02385	12.8
53.03949	82.7
55.01878	4.0
56.96576	3.3
59.06924	0.9
60.08181	1.2
61.08506	1.8
68.17723	0.7
70.03761	1.0
71.24413	1.3
71.57224	0.7
73.51208	0.8
77.03932	20.9
79.05061	1.3
79.05498	18.0
79.70519	0.7
81.03419	9.7
81.27042	0.8
81.97867	0.9
82.47691	1.1
84.59391	0.7
87.00834	2.2
91.48204	2.5
95.04974	100.0
103.05475	9.9
104.90815	3.4
105.03396	66.4
105.04519	47.3
105.07033	33.4
105.07757	1.3
105.11074	5.9
107.06386	0.7
118.06525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02377	2.2
53.03953	16.3
63.36252	0.7
65.03939	1.5
66.85581	0.8
69.35977	6.0
73.40566	0.8
77.03941	3.9
79.05499	55.7
81.03419	1.2
87.00824	2.9
90.50100	0.7
95.04974	16.8
103.05479	37.2
104.90823	1.5
105.03419	1.6
105.04527	8.0
105.07039	100.0
105.11079	1.9
106.07371	1.5
118.59246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02382	1.1
53.03953	10.3
55.01670	0.2
55.01881	2.0
55.57601	0.2
56.96577	1.3
62.99063	0.3
64.95554	0.2
65.03945	2.0
67.05517	0.4
71.19673	0.3
74.97598	0.2
75.01047	0.2
77.03932	2.2
79.01854	0.2
79.05499	15.8
79.70294	0.2
80.05022	0.3
81.03424	1.4
84.01555	0.4
84.87471	0.2
91.05490	12.2
92.06278	0.5
95.04978	10.9
104.41925	0.2
105.04524	5.6
105.07040	3.2
105.57949	0.2
106.04195	0.2
106.06569	0.7
107.04962	100.0
107.08597	3.0
107.46063	0.1
108.04508	0.3
108.05286	0.9
108.08138	0.4
108.85499	0.2
109.06534	1.3
118.06540	0.2
119.06096	0.9
119.76056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02386	1.2
53.03952	9.3
55.01880	1.7
56.96557	0.8
61.57659	0.2
62.99088	0.3
65.03947	3.1
65.59129	0.2
66.47742	0.2
67.05502	0.7
69.01803	0.2
70.67007	0.6
73.99854	0.2
77.03932	1.7
79.05500	16.7
80.05021	0.5
80.05833	0.2
81.03432	1.6
91.05489	21.0
92.06293	0.5
95.04975	11.1
105.04523	5.0
105.07041	5.2
106.06561	0.9
107.04964	100.0
107.08595	5.7
108.04531	0.5
108.05314	0.9
108.08101	0.5
109.06521	2.3
118.06493	0.3
119.06071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0861
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03944	1.2
55.01886	0.6
63.02327	0.2
65.03950	14.4
67.05518	2.3
71.47231	0.4
77.03963	0.3
79.05502	11.4
80.05833	0.2
85.30027	0.3
91.05492	100.0
92.05804	0.8
92.06300	2.1
95.04948	1.5
103.05480	0.6
105.04544	0.7
105.07044	29.5
106.04202	0.9
107.04977	3.2
107.08607	30.3
108.04507	0.3
108.08920	0.4
109.05785	0.5
109.06534	10.9
112.13530	0.2
114.65543	0.2
119.06080	8.2
124.05219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02375	0.4
53.03952	2.4
55.01871	0.7
56.96561	0.5
65.03603	0.8
65.03947	13.4
67.05505	1.9
70.93667	0.5
70.94017	0.8
77.03931	0.5
79.05497	17.2
81.03379	0.4
91.05487	100.0
92.05806	0.5
92.06279	2.7
95.04958	2.1
95.98718	0.4
103.05466	0.6
105.04555	0.9
105.07037	28.5
106.04196	1.0
106.06593	0.4
106.07384	0.4
107.04953	6.1
107.08602	28.1
108.08147	0.8
108.08857	0.4
109.06531	10.0
113.39632	0.3
119.06071	8.5
124.05193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	0.8
53.03953	5.6
53.53528	0.6
54.37135	0.4
55.01876	1.0
58.26600	0.5
65.03945	14.7
67.05505	2.9
68.06892	0.4
71.11900	1.0
77.03933	0.9
79.05499	24.9
84.01584	1.0
91.05488	100.0
92.05774	0.7
92.06289	3.1
95.04974	5.7
103.05448	0.4
105.04549	2.2
105.07037	26.8
106.04162	0.5
106.06580	0.6
107.04961	15.6
107.08600	25.4
108.09102	0.5
109.06526	9.6
119.06071	8.7
124.05200	0.5
124.97726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02371	0.4
53.03955	2.2
55.01865	0.9
56.96562	0.3
64.21954	0.3
65.03947	13.4
67.05508	2.7
70.70718	0.9
77.03938	0.8
79.05502	13.9
80.05009	0.8
80.05819	0.4
91.05489	100.0
92.05821	0.8
92.06281	2.6
93.21266	0.3
95.04988	2.5
103.05478	0.9
105.04544	0.7
105.07042	28.6
106.04200	0.9
106.06577	0.5
107.04963	4.8
107.08606	29.6
108.04515	0.4
108.08112	0.9
109.05785	0.7
109.06530	10.5
119.06076	8.4
122.34273	0.3
122.73164	0.3
124.05250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03969	0.9
79.05495	32.4
81.03419	22.7
81.07059	23.9
83.04977	3.7
83.08623	4.2
83.48265	0.6
85.02875	0.9
85.06550	1.0
89.03911	0.8
91.05483	28.8
92.05786	0.8
93.07047	30.5
95.04978	8.7
95.08607	17.4
97.06543	2.1
97.10178	3.6
98.20618	0.7
103.05482	1.9
105.04549	1.5
105.07033	19.9
107.04963	1.9
107.08598	12.2
109.06524	2.7
109.10165	9.0
111.08105	1.7
115.05479	2.8
117.03456	0.9
117.07037	4.3
119.08584	13.1
121.06493	1.1
121.10141	15.6
123.04428	1.6
123.08040	1.7
123.11718	3.3
128.06223	1.2
129.07010	5.0
131.04951	2.0
131.08586	9.5
132.09329	1.2
133.02881	2.3
133.06519	1.8
133.10146	8.0
135.04440	2.8
135.11685	4.1
137.09622	1.3
141.07033	2.0
143.04878	0.8
143.08556	1.4
145.02866	2.3
145.06535	2.1
145.10147	2.3
147.04411	4.1
147.08040	1.4
147.11699	7.5
149.05995	1.5
149.09619	6.5
149.13281	1.3
150.10402	0.6
151.11243	1.5
153.07025	0.9
155.08559	0.9
157.06480	4.1
157.10120	3.4
159.04431	7.3
159.11723	1.8
161.02327	5.2
161.06007	1.6
161.13275	1.8
163.03911	34.5
163.11217	0.9
165.05519	2.0
165.06915	1.0
165.12799	3.7
169.06564	2.0
169.10135	1.1
171.04419	1.8
171.08144	1.5
173.02354	13.4
173.05952	5.3
173.13280	1.1
175.03873	3.1
175.07628	1.2
175.11252	2.4
177.05505	1.5
181.06517	2.5
183.08136	2.0
185.05959	5.0
187.03899	14.0
187.07585	2.4
187.14862	0.8
189.05525	2.6
193.06471	0.8
193.10048	0.7
193.12323	2.2
195.08083	1.7
197.06010	2.0
197.09694	1.9
199.03915	9.0
199.07628	1.8
201.05446	4.9
203.03418	1.6
207.08131	1.1
211.07535	3.2
211.13298	1.6
213.05472	15.2
213.09067	1.2
215.07092	1.6
217.04907	0.8
221.09645	1.1
221.13193	0.8
223.07712	0.9
223.11166	1.2
225.05525	2.0
225.09152	1.9
227.07114	2.1
229.04973	1.4
231.06444	1.0
237.12764	1.3
239.07121	1.0
239.10733	0.7
239.14413	1.1
243.21082	0.9
247.11235	1.3
249.12697	1.5
251.10678	0.7
259.20761	2.2
261.22147	4.2
265.12326	2.1
267.13770	15.0
283.13348	2.9
285.14996	2.4
293.11716	4.8
293.14746	0.9
309.14926	2.1
311.12863	6.9
311.16556	3.3
317.24905	1.6
327.16107	1.8
333.24405	1.3
335.25861	12.0
337.14011	3.0
355.15414	35.9
356.15692	1.2
357.17175	3.8
373.16699	2.4
383.19376	0.8
429.19110	36.3
430.19345	1.0
431.20877	2.8
447.20251	6.1
587.37158	0.9
597.35492	2.0
615.36572	4.6
621.25708	1.2
633.37830	5.2
665.40686	1.1
671.39331	1.5
679.41815	6.3
689.40558	31.8
690.40326	1.7
707.41553	100.0
708.41608	5.3
881.46558	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	1078.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03864	0.7
79.05496	30.5
79.05945	1.1
81.03423	19.7
81.03865	0.8
81.07060	28.3
83.04987	3.1
83.08608	3.5
85.06522	0.9
87.22337	0.4
89.03858	1.4
91.05483	24.6
91.06008	0.9
93.07047	31.4
94.07321	0.6
95.04974	8.0
95.08611	18.1
97.02858	0.6
97.06460	1.8
97.10184	2.6
98.23192	0.4
103.05451	2.2
105.03316	0.6
105.04462	1.0
105.07034	17.8
107.04960	2.9
107.08594	11.7
109.06517	2.2
109.10166	7.6
111.08022	2.0
115.05437	2.5
116.06175	0.6
117.03305	1.4
117.07019	4.5
119.04882	0.6
119.08590	12.6
121.06446	0.9
121.10146	18.1
123.04350	1.9
123.08004	1.8
123.11721	3.0
128.06177	0.9
129.07013	4.2
131.04938	2.9
131.08575	10.3
132.09325	0.9
133.02840	2.2
133.06459	1.1
133.10138	9.3
135.04408	3.1
135.08040	0.9
135.10818	0.5
135.11700	5.3
137.09532	1.4
137.13174	0.5
141.06958	2.2
143.04895	0.9
143.08487	1.2
145.02846	3.3
145.06520	2.3
145.10136	3.0
147.04388	3.8
147.07977	1.3
147.10701	0.6
147.11699	8.3
149.05968	2.2
149.08569	0.5
149.09636	7.3
149.13196	2.1
150.10326	0.7
151.11186	2.2
153.06918	0.8
155.04813	0.5
155.08530	1.1
157.06511	3.9
157.10112	2.6
159.03241	0.9
159.04419	10.3
159.08014	0.6
159.11719	2.3
161.01161	0.6
161.02353	9.0
161.05943	2.9
161.13206	1.5
162.03072	0.5
163.03912	28.9
163.11143	0.8
163.14769	0.7
165.05429	2.6
165.06873	0.9
165.12782	2.4
167.08452	0.5
169.06404	1.2
171.04318	1.2
171.07993	1.4
173.02356	16.0
173.05954	6.1
173.13248	1.3
175.03915	3.0
175.07481	0.9
175.11093	2.5
175.14755	0.7
176.11887	0.6
177.05479	1.0
179.08476	0.8
181.06483	2.7
183.04370	1.2
183.07999	1.9
185.04694	0.5
185.05989	5.6
187.03912	19.8
187.07448	2.4
189.05406	3.5
191.03314	0.8
193.12256	3.5
195.07985	1.5
197.05930	1.9
197.09561	1.8
199.03934	9.1
199.07600	2.4
200.04526	0.6
201.05466	7.0
201.09129	0.5
203.03311	2.0
203.06944	0.7
205.04976	0.6
205.10034	0.6
207.08008	0.8
209.05988	0.6
209.09686	0.8
211.07581	2.2
211.11195	0.5
211.13211	1.9
213.05466	18.9
213.08806	0.9
215.03445	0.9
215.06987	2.1
217.05017	0.7
219.08008	0.5
221.09599	1.2
223.07541	1.4
223.11000	0.5
225.05574	2.3
225.09100	1.7
227.07022	2.7
229.05023	2.1
231.06268	0.5
233.09698	0.6
237.12810	1.4
239.07018	2.0
239.10565	1.1
239.14220	1.2
241.08536	1.7
241.12216	0.9
241.19452	0.7
243.21075	1.5
247.10991	0.8
249.12761	1.2
251.06917	0.6
251.10655	0.6
253.12218	0.6
259.20605	3.7
261.22162	5.1
265.12219	1.6
267.13785	13.5
267.16483	1.1
269.11398	0.5
277.21686	0.7
281.11838	0.7
283.13275	5.5
285.14865	3.2
293.11734	4.4
299.16422	0.5
309.14850	2.1
311.12738	7.5
311.16422	3.5
313.14252	1.4
315.23041	0.5
317.24741	1.8
327.15900	3.3
329.13818	1.4
329.17459	0.7
333.24170	1.1
335.25784	14.1
337.14346	5.0
355.15387	29.4
356.15576	0.6
357.17059	5.6
361.23709	1.3
373.16510	4.6
429.19116	65.9
430.19394	2.1
431.20877	2.5
447.20102	4.3
569.35846	0.6
587.37567	0.7
597.36395	2.4
603.24628	1.0
615.36737	8.0
621.25220	3.8
633.37903	8.4
634.37927	0.6
651.38666	1.4
661.41260	1.0
665.40118	1.7
671.39484	2.8
679.42126	11.4
680.41614	0.7
689.40503	49.2
690.40790	2.9
707.41534	100.0
708.41821	5.1
740.88153	0.5
851.46344	0.8
881.46851	7.2
882.47583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02383	0.7
53.03954	16.2
55.01878	8.0
55.05514	7.2
58.49658	0.4
61.73910	0.3
65.03951	5.3
66.04723	1.7
67.05511	59.7
69.07077	4.2
70.70123	0.3
71.55429	0.4
77.03909	0.4
79.05501	49.1
79.96876	0.4
80.05833	0.4
80.06281	0.4
81.03428	21.9
81.07065	56.3
82.06583	0.5
87.00449	0.5
91.05485	13.6
94.04195	4.5
94.07824	0.6
95.04980	1.6
102.10293	0.3
105.04549	0.6
107.04961	1.6
107.08617	2.4
107.09276	0.4
109.02891	5.2
109.06528	100.0
109.10165	27.3
109.10930	0.8
110.06059	2.6
110.06866	1.0
111.04474	0.4
119.63520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02376	1.1
53.03711	1.2
53.03949	21.0
55.01878	7.5
55.05515	5.9
56.96553	0.8
65.03952	6.0
67.05506	47.7
69.07074	4.1
71.55239	0.8
79.05495	44.4
81.03420	25.7
81.07061	48.5
82.06556	1.4
86.00676	0.9
91.05487	14.0
94.04205	4.9
94.07838	0.9
95.04975	1.0
95.67238	0.7
107.04976	1.5
107.08620	1.2
109.02892	6.5
109.06521	100.0
109.10158	17.1
110.06089	5.7
110.06802	1.2
126.70020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.74665	0.5
51.02374	0.8
53.00331	0.4
53.03704	0.7
53.03954	12.1
55.01879	5.8
55.05515	4.5
64.56648	0.5
65.03943	5.0
66.04727	1.3
67.05511	33.6
69.07066	1.8
69.42480	2.3
69.42889	0.8
79.05502	44.9
80.06277	0.5
81.03426	11.7
81.07065	42.9
82.06590	0.5
82.20354	0.4
86.60177	0.4
91.05495	13.8
94.04202	4.4
94.07809	0.4
95.04955	1.5
103.81264	0.4
105.04547	0.6
106.04677	0.4
107.04963	1.4
107.08604	1.2
109.02918	2.8
109.06529	100.0
109.10165	12.1
110.06061	3.1
110.06790	0.9
123.17274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.24277	0.8
51.02378	1.3
51.22067	0.7
51.68950	0.8
52.41798	0.8
53.03950	36.3
55.01873	6.9
55.05514	7.3
60.75467	0.8
61.84401	0.9
65.03938	5.7
66.04724	1.7
67.05509	61.9
69.07072	3.7
69.95452	3.1
79.05495	52.6
80.06264	0.9
81.02933	0.9
81.03422	41.5
81.07063	55.8
91.05489	13.2
94.04181	4.5
94.07825	1.4
107.04987	1.1
107.08605	2.0
109.02890	14.2
109.06525	100.0
109.10160	28.8
110.06058	5.3
110.06741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.1
53.00325	0.8
53.03951	37.5
53.07065	0.8
55.01873	7.6
55.05513	8.7
56.96537	1.0
61.75491	0.8
65.03941	6.8
65.30595	0.7
65.79246	0.9
66.04717	1.3
67.05507	66.6
69.07076	4.3
69.95315	0.8
71.39183	0.9
71.55157	0.9
73.66403	0.8
79.05497	56.0
81.03421	46.8
81.03915	1.3
81.07059	56.3
82.07417	0.9
84.01610	0.9
87.00426	0.8
91.05484	13.9
94.04173	4.2
94.07813	1.0
95.04987	1.4
96.05850	0.8
100.38026	1.0
105.04497	1.0
107.04969	1.9
107.08601	3.4
109.02886	15.9
109.06523	100.0
109.10159	31.9
109.10909	1.0
110.06033	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	110.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
54.04278	1.0
55.01867	0.6
55.05514	1.0
56.05042	0.9
56.96291	0.3
56.96569	5.4
57.03432	0.4
59.03438	0.2
61.02921	0.3
65.03944	1.6
66.04711	0.3
67.04253	1.0
67.05500	0.7
68.00273	0.5
68.05026	0.5
68.05844	0.2
68.45335	0.2
68.95300	1.8
68.98305	0.4
69.03423	0.8
69.05803	0.2
70.06586	0.2
70.32097	0.7
71.02991	0.4
71.87239	0.2
71.95254	0.6
74.52730	0.3
75.01029	0.2
75.08414	0.2
77.00790	0.6
79.51087	0.2
80.05023	12.0
81.03428	1.1
81.04562	0.4
81.05856	0.2
81.07056	0.2
82.01436	1.1
82.03746	1.4
82.06588	3.5
83.00810	0.3
83.05006	0.9
83.06101	2.8
84.04515	0.3
84.08151	0.4
84.96054	0.3
85.02930	0.2
86.99332	1.0
87.04292	0.5
91.05507	0.3
92.05003	3.0
93.03394	0.2
93.04550	1.7
93.05792	9.7
93.53474	0.2
95.04951	0.2
95.52392	0.2
96.04477	0.3
98.01308	0.4
98.97589	1.6
100.02494	2.4
105.00368	0.8
109.05276	0.5
110.06050	100.0
110.09677	1.2
110.97581	0.7
111.04456	0.7
111.06405	0.7
115.01170	0.2
115.02420	0.2
116.98602	0.5
118.03547	0.7
119.01882	0.3
120.56073	0.2
121.08315	0.2
128.98628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0605
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
53.03938	0.2
55.05513	0.2
56.96571	0.8
65.03957	0.8
66.04729	0.1
67.04234	0.2
67.05499	0.2
69.89894	0.4
69.90302	0.3
79.04250	0.3
80.05021	12.7
81.05814	0.1
82.03753	0.2
82.06594	0.7
83.04955	0.2
83.06096	0.2
91.39790	0.1
92.05014	2.5
93.05795	9.8
98.97604	0.4
100.02473	0.2
109.05262	0.5
110.06049	100.0
111.06372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.03945	0.7
55.05515	1.1
55.36531	0.3
56.05038	3.6
56.52225	0.2
56.59806	0.3
56.96566	0.7
57.03419	0.3
70.06600	100.0
71.05002	2.0
71.06938	0.4
71.29191	0.5
72.08157	2.0
74.02450	0.7
74.93809	0.3
81.03413	0.7
82.01492	0.5
82.73763	0.3
83.00809	0.3
84.01212	0.4
84.04514	3.4
95.01353	0.3
98.07183	0.4
99.04462	0.7
100.02505	0.7
102.02280	0.8
109.02906	0.8
111.43271	0.3
116.07103	4.7
120.03292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53185	0.3
53.03962	1.6
55.05515	1.5
56.05044	8.4
56.96566	3.2
57.03452	0.7
69.09058	0.4
69.25183	3.3
69.25510	0.3
70.06602	100.0
71.05008	2.5
71.06918	0.8
71.75410	0.3
72.04516	0.8
72.08170	2.1
72.80492	0.4
74.00246	0.4
74.02457	0.4
74.93842	1.4
78.52978	0.5
80.05034	0.9
81.03437	1.2
82.01472	0.8
83.00806	0.9
84.01203	0.5
84.04514	6.4
87.22874	0.3
90.52968	0.4
91.00574	0.4
92.94887	0.4
93.82785	0.3
95.01364	0.7
98.06100	1.2
98.07164	0.5
98.97617	1.0
99.04482	1.4
100.02525	1.5
102.00987	0.9
102.02298	0.8
109.02899	0.9
116.07117	4.0
116.07906	0.4
116.08254	0.5
116.98601	0.4
118.03543	0.7
119.01958	0.6
120.01975	1.8
121.01712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	28.3
55.05518	11.2
56.96567	100.0
57.03439	81.6
58.06588	9.7
59.04988	23.2
59.06120	8.6
59.07375	13.3
67.05497	23.2
69.03436	55.0
70.06606	11.7
70.25237	25.6
71.04990	59.0
71.06922	29.8
71.95286	9.4
72.04514	17.9
72.08154	25.9
72.50414	7.0
76.93373	43.3
78.26991	6.3
79.05482	16.3
81.03405	11.1
81.07052	19.0
89.03918	30.7
89.06029	8.6
91.05453	36.6
94.94419	9.8
95.04961	28.9
98.97584	64.2
99.04449	12.5
99.08072	16.1
105.04513	12.9
115.05455	55.5
116.98622	41.0
117.05720	7.6
117.07031	69.9
118.06530	30.3
118.08640	28.1
119.18549	7.8
134.99673	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	117.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58468	6.5
53.03952	35.9
54.17727	6.0
55.05502	13.7
56.96569	100.0
57.03443	82.7
58.06591	20.2
59.05009	16.4
59.07373	16.4
61.02929	10.8
63.02383	6.6
65.03938	6.9
67.05502	17.0
69.03426	59.5
70.06580	14.3
71.04993	58.6
71.06929	50.8
71.08626	9.4
71.95251	13.1
72.04516	17.0
72.08164	37.1
73.02898	10.4
74.93806	14.2
75.05594	8.2
76.93372	44.8
79.05473	17.8
81.07053	11.2
89.00793	8.2
89.03913	26.8
89.06021	10.4
90.18586	6.2
91.05485	41.5
92.94808	6.9
94.94411	14.3
95.04985	34.0
98.97592	75.8
99.04443	12.8
99.08132	10.3
105.04539	10.4
115.05457	78.5
116.98624	58.6
117.05614	12.7
117.06976	61.4
117.09196	7.5
117.95995	9.5
118.06561	52.6
118.08651	40.9
134.99658	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01597	2.5
51.02389	11.3
53.03952	79.6
55.01878	4.6
55.05503	2.0
55.08743	1.8
58.06598	19.8
59.07386	21.0
69.34159	15.5
72.08158	8.6
76.93363	5.3
77.03935	13.1
81.03426	8.5
85.80785	1.6
91.05488	23.3
93.13277	1.7
94.94414	3.7
95.04974	79.8
105.04530	39.7
116.05791	5.7
117.07049	3.7
118.06560	100.0
118.07346	8.4
118.08656	32.1
119.04993	3.3
119.08556	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02386	0.9
53.03938	2.5
54.45483	0.7
55.05502	2.7
56.96574	8.3
58.06590	1.5
59.07373	1.9
59.93107	1.8
65.03939	1.1
69.96422	1.6
69.96829	2.0
71.98221	0.7
72.08160	10.4
76.92904	1.5
76.93372	12.3
91.05487	44.2
92.05811	0.7
94.94411	3.3
95.04966	2.1
117.05786	5.3
117.96013	1.7
118.06551	100.0
118.08672	7.8
119.06895	1.6
119.08664	0.9
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
51.02388	9.4
52.87418	2.1
53.03955	82.2
55.01878	3.9
58.06596	2.0
59.07380	2.9
62.03972	1.5
63.56136	1.8
64.44469	1.7
65.03954	14.9
69.66149	10.5
69.66542	4.2
70.66349	2.1
72.08170	3.7
76.93374	2.8
77.03938	13.9
78.56729	1.9
81.03431	7.4
91.05497	74.0
92.05875	1.7
95.04986	74.1
105.04528	39.9
116.05809	3.2
117.07017	4.0
118.06567	100.0
118.07314	4.8
118.08695	7.9
119.04958	25.2
119.08578	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03955	0.4
55.05517	20.8
55.36543	0.3
55.82922	0.3
56.05047	0.4
57.05561	0.3
57.05815	1.8
58.06342	0.6
58.06607	7.6
59.05015	0.5
59.07388	8.2
69.03432	0.5
70.66100	0.6
70.66463	0.8
72.08163	100.0
73.08478	0.8
82.01482	0.5
91.05492	0.6
100.02494	0.8
106.05096	0.7
112.07604	0.4
118.08666	21.2
135.62601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
67.05491	13.3
69.03445	29.3
70.72783	3.3
70.73090	6.0
78.52970	3.4
79.05443	2.9
80.06262	4.0
82.01454	19.2
82.99834	3.3
84.53690	3.0
85.01417	5.4
85.53714	3.3
91.05465	9.9
93.07040	3.9
100.02489	36.6
100.79226	3.2
100.80563	3.2
101.00888	41.3
101.02601	5.0
103.02464	11.1
107.05277	10.4
110.34677	3.2
116.05791	5.5
118.03513	10.7
119.01928	100.0
124.57456	3.5
129.03996	4.5
133.03500	3.4
137.02980	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02384	0.6
53.03951	1.3
62.16228	0.3
65.03941	16.5
70.31138	1.3
73.13503	0.4
77.03935	0.5
78.04736	0.4
79.05498	1.7
79.93082	0.3
91.05482	100.0
92.05094	0.3
92.05816	1.4
93.07054	1.0
95.04987	1.0
103.05445	2.0
104.06267	2.3
105.04578	0.5
109.06487	0.6
114.90011	0.4
115.05480	1.2
115.96965	0.3
117.07013	5.3
118.95106	0.3
119.04946	26.7
119.06064	3.0
119.08578	16.2
129.04434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03952	1.1
63.01692	0.5
65.03948	19.5
67.58433	0.4
70.27667	1.5
70.28012	0.6
72.28046	0.4
79.05492	0.7
91.05490	100.0
92.05833	1.2
95.04987	0.6
103.05455	1.1
104.06247	1.2
105.04535	0.5
106.10933	0.5
117.07027	2.4
119.04957	32.4
119.06880	1.4
119.08596	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
53.81756	0.4
54.04270	0.6
54.14795	0.4
54.86125	0.4
56.96559	0.6
65.03943	15.4
65.87357	0.4
71.55136	0.5
79.05496	1.9
82.60081	0.4
84.46702	0.4
88.84995	0.4
91.05486	100.0
92.04995	0.7
92.05821	1.3
93.07043	1.4
95.04994	0.9
96.04495	0.4
96.05322	0.5
96.35894	0.4
103.05490	2.7
104.06249	2.2
105.04525	0.5
109.06538	0.9
115.05453	1.4
117.07021	6.2
117.59312	0.4
119.04956	22.8
119.06049	3.0
119.06852	1.2
119.08578	17.7
120.08113	0.8
121.04039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02385	0.6
53.03937	3.0
65.03944	5.9
67.05490	0.4
69.36954	3.8
77.03918	0.8
78.04705	1.9
78.71829	0.4
79.05496	7.3
79.30903	0.4
89.96699	0.4
91.05482	100.0
92.05011	1.9
92.05817	0.9
93.07037	5.9
95.04992	2.7
102.64843	0.4
103.05468	12.9
104.05621	0.8
104.06255	11.0
105.04521	1.4
109.06510	0.9
113.08450	0.5
115.05469	6.9
117.07018	32.8
119.04939	1.8
119.06079	1.6
119.08581	74.8
120.04469	1.4
120.08925	1.0
121.06548	0.5
131.06041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03952	3.2
54.04282	0.6
59.06139	0.6
60.41612	0.5
64.27530	0.5
65.03935	4.4
67.05511	0.7
68.78291	0.5
69.90234	2.3
78.04718	1.4
79.05490	7.5
91.05486	100.0
92.05805	0.9
93.04556	0.7
93.07052	5.9
95.04960	3.0
103.05472	14.4
104.06255	14.4
105.04515	1.8
109.06535	1.1
115.05449	6.7
115.19319	0.6
115.64948	0.5
117.07023	31.9
118.07333	0.7
119.06152	3.8
119.08580	91.2
120.05632	1.2
120.08932	1.3
121.06487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.00326	0.4
53.03949	3.2
53.51884	0.4
54.04282	0.6
54.56849	0.4
56.96576	0.4
65.03947	10.0
68.62831	0.4
69.17275	4.7
69.21815	0.5
74.56034	0.5
77.03927	0.5
78.04723	1.2
79.05498	5.3
83.41690	0.4
91.05487	100.0
92.05867	1.0
93.07059	3.3
95.04977	2.0
96.05304	0.6
100.72755	0.5
103.05474	8.2
104.06255	7.7
105.04489	0.9
115.05444	3.8
117.07027	15.3
119.04963	9.4
119.06064	1.1
119.06834	1.4
119.08588	53.4
120.08069	0.8
120.08885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
54.04287	0.5
56.96571	1.4
65.03944	4.5
71.54517	1.0
77.03907	0.6
78.04727	1.8
79.05505	8.3
81.03413	0.9
91.05490	100.0
92.05798	0.6
93.07048	5.5
95.04973	3.3
96.05300	0.6
97.30497	0.6
101.79208	0.6
103.05479	14.4
104.06262	11.7
105.04562	1.7
109.06561	0.9
115.05473	5.4
117.07030	23.7
118.07294	0.6
119.04980	2.1
119.06088	1.8
119.08591	96.8
120.08129	1.3
120.08897	1.0
128.22432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02370	0.6
53.03956	4.1
65.03947	4.4
67.17134	0.7
70.68506	1.3
71.46056	0.6
71.74277	0.6
77.03915	0.8
78.04722	1.6
78.95321	0.5
79.05496	8.0
86.39331	0.6
91.05488	100.0
92.05035	0.8
92.05822	1.6
93.07059	5.5
95.04958	3.0
103.05476	11.2
104.06255	13.1
105.04533	1.2
109.06536	0.9
115.05457	5.5
117.07026	23.6
118.07357	1.0
119.05018	1.1
119.06138	1.2
119.08588	84.7
120.08085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27015	0.6
53.03951	4.4
53.42880	0.6
55.12685	0.7
56.05030	1.0
56.48792	0.6
56.96568	1.0
65.03951	3.4
69.71472	3.9
74.06084	1.9
75.21513	0.6
77.03944	1.1
78.93126	0.7
79.05500	2.7
80.05022	0.9
84.50299	0.7
91.05491	13.0
92.05008	3.9
92.05817	2.7
93.07060	17.5
94.06556	0.7
95.04971	4.8
98.95779	0.7
102.04684	0.8
103.05482	88.5
103.14522	0.7
104.05812	1.8
105.04523	1.9
105.07044	1.2
106.93990	0.6
110.06068	1.1
110.44118	0.6
118.06551	2.2
118.07372	0.8
119.07384	1.8
120.04583	3.7
120.05673	4.9
120.08121	100.0
121.02921	0.9
121.03997	1.6
121.06534	1.1
121.08419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
58.89053	0.5
59.45907	0.5
65.03931	1.8
65.93453	0.6
71.24004	1.4
74.06079	0.7
77.03931	1.5
79.05492	2.0
80.05047	0.9
85.39194	0.6
91.05490	10.4
92.05030	1.8
92.05820	3.0
93.07056	16.7
94.06583	1.1
95.04993	4.2
102.04690	0.9
103.05480	89.0
104.05830	1.5
105.04555	2.0
118.06568	2.1
119.07347	1.6
120.04501	1.8
120.05613	3.6
120.08121	100.0
121.03995	0.8
121.06530	0.8
121.08426	0.7
131.47760	0.6
137.19890	0.6
139.34799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	0.9
53.03952	7.5
55.05511	3.2
56.96576	1.1
65.03938	1.2
67.05515	1.6
71.13206	1.1
77.03930	1.9
79.05501	40.8
80.05840	0.5
81.03426	0.8
81.07055	1.1
91.04910	0.6
91.05018	0.4
91.05486	15.8
93.07054	19.0
95.04978	8.0
98.97606	0.6
100.94491	0.5
103.05480	19.4
103.28808	0.5
104.05796	0.5
105.04549	3.6
105.07042	100.0
106.06678	0.6
106.07866	7.3
107.07349	4.2
119.08594	14.9
120.05742	1.1
121.02854	1.2
121.04045	0.8
121.06529	3.6
121.10154	48.3
122.09693	4.7
122.10454	1.1
123.08082	8.6
133.07616	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02370	1.4
51.32305	0.8
53.03952	10.5
55.01863	4.5
55.05502	3.0
56.96573	1.3
65.03944	39.1
67.05516	1.7
68.99792	1.0
71.01355	1.1
71.54855	1.4
77.03930	3.1
79.01852	0.8
79.05498	43.6
81.03412	1.0
81.07050	2.0
91.05489	26.3
92.05827	0.9
93.03407	1.8
93.07055	32.1
95.04978	13.7
102.10992	0.9
103.05476	26.0
104.05779	1.0
105.04559	5.7
105.07039	100.0
106.06548	2.1
106.07877	7.4
107.07345	21.1
111.04445	13.6
119.08596	14.5
120.05732	0.9
120.08102	1.0
121.02876	57.1
121.03987	24.8
121.06512	16.2
121.10150	46.6
122.03198	1.0
122.09678	22.1
123.08057	9.1
133.07623	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02386	1.4
53.03951	13.9
55.01872	2.9
55.05508	2.3
56.96559	2.0
64.33739	0.8
65.03948	14.1
65.09064	0.8
67.05511	2.6
69.79958	3.3
69.80362	1.3
77.03929	3.0
78.04718	1.4
79.05502	46.3
80.05827	0.9
81.03400	1.3
91.05489	36.1
93.07055	39.1
95.04976	15.0
98.97572	1.0
103.05480	29.7
105.04549	6.1
105.07041	100.0
106.06615	0.8
106.07862	6.0
107.04969	11.2
107.07343	8.6
111.04475	5.0
119.08583	11.8
121.02883	16.1
121.04000	6.8
121.06520	28.6
121.10157	44.0
122.07282	3.0
122.09689	8.1
123.08061	8.3
133.07619	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02401	1.4
53.03951	17.3
54.09519	0.9
55.01871	2.7
55.05502	4.0
56.96561	1.5
65.03950	39.6
66.04308	1.0
67.05505	3.4
68.41091	1.0
68.99783	1.2
69.34807	5.0
69.35236	3.2
71.54594	1.0
77.03920	3.2
78.04700	3.6
79.05502	51.8
81.07077	1.1
91.05491	47.8
93.03418	3.0
93.07056	54.4
94.06584	1.2
95.04984	16.5
103.05480	29.6
104.05798	2.2
105.04547	8.3
105.07043	100.0
106.04182	1.4
106.06549	1.8
106.07887	5.5
107.07354	18.8
110.22765	1.1
111.04441	12.4
119.08594	12.0
121.02884	47.4
121.03996	16.9
121.06535	25.9
121.10161	48.5
122.05971	1.2
122.09689	18.6
122.10510	1.4
122.26908	1.1
123.08105	9.6
133.07657	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02392	1.1
53.03949	8.9
55.01878	2.3
55.05515	13.1
55.71548	0.6
56.96556	1.0
57.03435	1.0
57.07078	5.6
58.99880	0.9
62.58230	0.7
63.56284	0.7
65.03960	4.3
67.05508	54.1
68.05051	0.7
69.03435	1.8
69.07068	2.7
71.46236	0.9
77.03931	1.6
77.98761	0.6
78.03459	2.3
79.05145	0.4
79.05494	24.0
80.05023	35.6
80.05817	2.0
80.06261	1.0
81.03426	2.8
81.07060	100.0
81.37715	0.6
82.01453	10.5
82.06573	1.0
82.07397	1.2
91.05476	2.5
93.07047	9.1
95.04974	52.2
95.08610	38.4
96.01718	0.6
96.04504	14.8
96.05167	0.7
96.08122	2.6
100.02486	49.6
101.00893	2.6
101.02558	1.2
103.05481	0.9
104.05830	1.3
105.03414	0.7
105.04488	4.9
105.07035	7.9
106.02901	1.9
106.06640	1.1
106.07356	7.1
107.04963	2.2
107.07368	2.1
108.05070	1.1
108.05744	11.7
108.07001	0.9
108.07679	13.8
108.09346	0.8
109.53856	0.8
112.03974	4.2
118.03526	25.6
119.01925	14.9
121.10168	1.0
123.04454	10.2
123.05558	70.2
123.08072	87.5
123.09987	17.4
123.11700	20.0
124.03959	23.7
124.04664	0.4
124.07585	2.0
124.08420	1.5
124.11237	6.0
137.02986	4.1
140.03421	1.5
141.05093	1.2
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
58.99857	0.3
70.20060	0.7
73.71319	0.2
82.01453	0.7
82.99850	4.3
83.01491	1.4
84.01201	0.3
100.02484	1.3
101.00891	43.7
101.02560	3.4
101.99242	0.2
102.01006	0.6
102.02238	0.5
118.03529	0.5
119.01931	100.0
120.02001	1.3
121.02340	0.5
124.02453	0.8
133.39557	0.2
137.02969	18.9
138.03061	0.4
142.03513	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.3
58.99879	0.2
69.66514	1.4
69.66911	0.4
80.04996	0.4
82.01442	0.6
82.99846	4.7
83.01530	0.7
96.04528	0.4
100.02481	1.0
101.00890	45.4
101.02548	1.2
102.00962	0.4
111.00454	0.4
119.01930	100.0
120.01991	1.5
120.17078	0.3
124.02449	0.6
124.03960	1.6
124.07581	0.2
124.11280	0.3
133.03448	0.4
137.02968	18.4
142.03514	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	124.0761
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
51.02360	0.4
53.00283	1.1
53.03922	1.6
54.03452	1.1
55.01879	2.5
55.05517	3.9
56.05011	1.5
56.96574	3.9
63.55490	0.5
65.03932	0.7
67.05514	3.9
67.87399	0.5
68.05050	3.8
68.05831	0.5
69.03415	1.8
69.07053	0.7
69.82417	2.7
70.02948	0.8
71.36079	0.4
78.03465	2.5
79.05504	36.4
80.04570	0.8
80.05027	15.5
80.05801	1.4
80.39420	0.5
81.03415	0.9
81.05338	2.2
81.05791	2.6
81.07069	2.9
82.02953	8.6
82.06593	5.7
82.07378	2.1
82.99840	1.7
83.01522	1.5
83.04971	1.4
83.06096	0.8
83.07324	0.5
84.01196	0.6
94.02950	0.7
94.06573	1.6
95.05002	2.4
95.07365	0.9
96.04507	21.6
96.05278	2.1
96.07562	0.8
96.08145	12.7
96.08801	1.0
97.02915	3.6
97.06552	0.6
100.02481	2.5
101.00897	22.5
101.02576	8.0
102.00954	0.6
102.02227	1.6
105.04514	0.8
106.06569	60.1
107.06909	0.5
109.02895	0.8
109.05293	0.9
112.03977	19.6
112.04753	1.0
115.07462	0.4
118.03555	1.8
119.01935	100.0
119.03635	5.5
120.02043	2.1
120.03285	0.7
121.31298	0.5
124.03973	81.5
124.05916	4.2
124.07607	63.3
124.08368	2.1
124.11241	34.6
125.02383	1.3
125.04256	1.0
125.06039	0.9
125.07914	0.7
125.09617	0.6
133.03529	0.4
137.02972	38.6
138.03082	0.8
140.03442	8.3
142.03517	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.13333	0.4
56.96576	2.1
57.03437	0.6
57.05803	0.6
58.06603	0.8
66.79262	0.4
69.03425	0.6
69.07072	22.7
71.30878	0.4
71.31221	0.5
81.03448	0.4
86.09710	100.0
87.10055	1.2
97.02870	0.4
98.97619	1.4
103.38094	0.4
119.01945	0.8
132.10237	0.8
146.25403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02374	0.7
53.03951	3.3
54.03473	0.4
55.01880	3.2
55.05520	2.0
56.96569	2.6
58.28997	0.3
58.96168	0.3
65.03944	0.7
66.04748	0.3
67.05506	0.7
69.03416	0.4
69.76785	0.6
69.77196	1.1
71.05005	0.9
77.03933	1.9
78.04723	0.6
79.05501	15.3
81.03435	0.5
81.04545	0.6
90.04718	0.4
91.05489	18.0
92.06280	0.4
93.07051	3.1
94.04173	0.3
95.04988	3.3
95.05608	0.3
103.05479	10.2
105.03432	2.3
105.04551	1.5
105.07040	100.0
106.06570	0.7
106.07377	1.1
107.04971	1.0
107.08594	0.6
107.34369	0.4
110.01211	0.3
110.65499	0.4
112.02218	0.6
113.02999	0.5
115.05455	7.1
116.06243	0.5
117.07027	4.7
118.04195	2.6
118.07813	4.7
123.07964	1.2
129.06995	0.5
131.04938	1.1
131.08582	5.2
132.05794	0.4
133.02881	3.1
133.06506	49.2
133.10141	37.0
134.03650	0.9
134.06013	1.1
134.06891	0.9
144.04773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.4
55.01862	0.8
55.05515	3.6
56.96577	2.3
65.03960	1.1
67.05531	1.9
71.12959	1.5
77.03924	1.0
79.05504	12.9
90.04694	0.7
91.05492	33.5
93.07050	9.0
95.04965	2.2
103.05473	7.2
105.03390	1.2
105.04608	1.5
105.07043	96.2
106.07378	1.7
107.08620	2.1
115.05474	11.9
116.06255	2.1
117.07039	10.2
118.04201	1.1
118.07811	9.7
123.07953	2.1
127.12968	0.7
129.07002	1.3
131.04893	0.8
131.08586	15.2
133.02892	1.4
133.06537	11.6
133.10144	100.0
134.10452	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	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.20215	0.6
53.03963	3.2
53.89432	0.6
55.05526	4.0
56.96579	1.2
65.03951	1.7
66.20602	0.6
67.05515	9.1
69.57433	3.1
69.57837	1.0
77.03938	1.7
79.05502	20.4
90.92058	0.6
91.05492	94.6
92.05809	1.5
93.06171	0.7
93.07047	2.4
95.04977	1.9
103.05495	8.3
104.06295	0.9
105.03379	1.4
105.07043	100.0
105.19772	0.6
106.06652	0.8
106.07395	2.0
112.02188	1.1
115.05470	2.3
116.06224	0.7
117.07049	2.6
118.07822	2.2
123.08078	1.6
131.08594	5.6
133.02899	1.5
133.06508	11.1
133.07614	4.9
133.10144	30.6
134.06020	0.8
134.10501	1.0
144.04840	0.8
150.82857	0.5
151.94606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1015
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.63374	0.5
51.02383	0.9
53.03953	4.0
55.05518	4.6
55.72678	0.5
56.96569	0.5
61.76633	0.5
65.03954	1.2
67.05521	0.8
69.70129	1.8
69.70535	1.1
77.03941	1.9
79.04790	0.6
79.05505	11.8
88.42526	0.5
91.05494	36.5
93.07057	7.2
95.04987	2.4
103.05473	8.3
105.03426	1.1
105.07043	100.0
106.06683	0.7
106.07387	1.5
107.08591	2.0
112.02222	0.6
115.05469	10.1
116.06256	2.1
117.07032	11.3
118.07813	11.7
123.08028	0.7
129.07036	1.2
131.08594	11.2
133.02823	1.3
133.06529	9.6
133.10146	99.0
134.10498	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	1.6
55.05512	3.6
60.55607	0.8
65.03930	0.8
67.05502	1.0
70.52737	0.6
71.09356	0.6
71.34397	1.4
79.05502	9.7
91.05489	33.5
92.32153	0.7
93.07053	7.4
95.04981	1.6
102.26204	0.7
103.05485	4.6
105.07039	83.2
106.07397	1.7
107.08620	2.6
115.05465	8.7
116.06290	1.6
117.07021	9.7
118.07807	10.4
131.08586	11.0
133.02887	0.9
133.06505	2.7
133.10139	100.0
134.10477	2.6
134.11458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03943	2.4
55.05509	4.1
65.03934	0.8
67.05521	1.2
68.71743	0.6
69.95255	3.1
71.32796	0.7
77.03945	2.0
79.05498	12.2
91.05488	32.2
93.07059	7.1
95.04973	2.2
98.21519	0.7
98.87756	0.6
103.05479	6.5
105.03421	1.4
105.07037	100.0
106.07347	1.5
107.08614	1.5
115.05469	8.8
116.06255	1.3
117.07018	10.3
118.04146	1.1
118.07800	8.6
131.08575	11.4
133.02834	2.2
133.06526	8.2
133.10136	96.1
133.53596	0.7
134.10458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05518	2.6
56.96572	0.6
65.03941	0.9
66.25841	0.5
67.05497	0.9
70.26322	2.1
77.03941	0.9
77.40085	0.6
79.05505	9.6
91.05493	28.2
93.07059	6.9
95.04976	1.5
98.21418	0.7
103.05482	5.1
105.07043	74.5
106.07385	1.2
107.08598	2.1
115.05467	8.5
116.06233	2.0
117.07047	9.6
118.07824	9.6
131.08594	8.9
133.06538	3.2
133.10144	100.0
134.10509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03954	1.7
55.01887	0.4
55.05515	2.9
65.03955	0.5
67.05501	0.9
69.40273	2.5
77.03936	0.8
79.05058	0.6
79.05502	9.1
90.04725	0.3
91.05492	21.8
93.07055	5.9
95.04974	1.3
103.04066	0.3
103.05474	4.2
105.03425	0.7
105.07042	64.8
106.07377	0.7
107.08609	1.4
112.02213	0.5
115.05470	8.0
116.06252	1.2
117.07034	9.3
118.04066	0.3
118.07819	8.9
119.08085	0.4
123.07961	0.5
129.07004	1.0
131.08591	9.6
133.06580	2.6
133.10146	100.0
134.10481	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02378	0.5
53.03947	2.1
55.05519	3.1
56.96582	0.6
59.30198	0.4
65.03948	0.8
67.05505	1.4
69.50365	2.5
77.03933	0.8
79.05500	8.7
91.05490	25.4
92.06293	0.7
93.07054	6.4
94.78997	0.3
95.04982	1.7
103.05485	5.4
104.06270	0.4
105.03408	1.5
105.07040	66.8
106.07394	1.0
107.08620	1.5
115.05473	8.3
116.06320	1.6
117.07021	10.6
118.04158	0.5
118.07816	9.6
123.07916	0.5
129.07059	0.7
131.08578	7.4
133.02872	0.8
133.06544	4.5
133.10141	100.0
134.10480	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03946	2.9
53.11430	0.4
55.01859	0.5
55.05516	4.3
56.96566	1.6
57.75073	0.5
62.59916	0.5
65.03942	1.4
66.04662	0.4
67.05505	1.8
71.55345	0.6
77.03922	1.2
79.05500	11.7
91.05492	33.3
92.06276	0.9
93.07054	8.1
95.04945	2.5
103.05486	6.7
105.03407	4.0
105.07041	98.5
106.07380	1.9
107.08606	1.5
115.05460	8.6
116.06231	1.4
117.07035	10.4
118.07813	9.9
119.26504	0.5
123.07975	0.7
129.07057	0.7
131.08592	11.0
133.02853	1.6
133.06548	6.3
133.10141	100.0
134.10481	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02380	1.0
53.03947	2.7
53.51971	0.8
55.01865	0.9
55.05523	6.4
65.03927	1.2
67.05515	7.9
71.55299	1.3
77.03910	1.0
78.92154	0.8
79.05502	15.9
82.65944	1.0
91.05488	98.8
92.05804	2.6
93.07050	2.6
95.04997	1.7
103.05481	5.0
104.06252	1.0
105.03396	0.9
105.07041	100.0
106.07393	2.5
115.05481	4.5
117.07021	4.3
118.07829	3.7
131.08591	8.1
133.02859	1.2
133.06494	5.3
133.07530	1.5
133.10144	40.5
134.10472	1.0
142.80405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42697	0.5
53.03935	0.9
54.44281	0.6
55.05508	2.5
59.54449	0.6
61.31445	0.5
65.03925	0.8
79.05497	7.7
91.05487	25.9
93.07053	7.0
95.04955	1.3
103.05485	5.5
105.03393	0.9
105.07040	70.9
106.07353	1.2
107.08627	1.2
115.05466	8.1
116.06228	1.8
117.07033	9.5
118.07828	9.1
128.64969	0.6
131.08583	9.6
133.06514	2.4
133.10141	100.0
134.10493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.6
53.03954	2.6
55.05511	3.2
56.96573	1.3
65.03957	0.8
67.05521	0.9
67.35094	0.3
69.37804	0.9
69.38220	2.5
77.03940	0.9
79.05503	11.8
91.05495	30.1
92.06289	0.5
93.07059	6.6
95.04998	1.9
103.05486	6.0
105.03435	2.0
105.07047	88.1
106.07391	1.1
107.08598	2.0
112.02238	0.6
115.05473	9.4
116.06254	1.5
117.07044	11.3
118.04208	0.9
118.07825	10.5
123.07977	0.8
129.07051	1.2
131.08597	10.2
132.09044	0.4
133.02875	1.5
133.06554	5.8
133.10149	100.0
134.06038	0.7
134.10512	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0452
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
55.01878	2.9
56.05027	6.5
56.96563	3.4
57.03433	5.9
58.06605	13.9
58.19337	1.6
58.77998	1.7
69.03455	2.0
70.02951	4.0
70.06603	9.8
71.04988	6.6
71.54613	2.5
72.08165	18.3
73.02910	4.5
74.02446	100.0
74.06082	10.5
77.00889	2.7
79.05500	6.2
82.01443	2.9
85.02919	2.7
88.02684	2.3
88.03477	3.2
88.03998	50.7
88.07645	21.0
90.09198	11.8
91.05492	2.4
93.01885	2.6
97.02883	2.0
99.04453	2.8
100.02489	4.2
101.00890	6.1
102.02418	2.5
102.09171	3.9
106.06531	5.3
106.07278	2.0
107.05004	2.6
111.02939	2.0
113.47624	2.1
116.03449	4.3
119.01928	8.9
119.72357	1.5
124.02457	3.1
127.78378	1.7
131.01944	3.9
134.04478	2.2
134.06041	10.6
134.08119	1.9
134.09648	3.7
134.11777	25.2
142.03497	10.4
143.01994	1.8
143.03615	1.9
144.47440	1.7
154.03430	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	134.045
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
52.17199	1.9
52.79320	1.9
55.10069	1.9
57.03431	2.1
70.02943	7.9
70.05508	1.8
70.31937	6.1
70.32271	1.9
72.38937	1.8
74.02447	100.0
82.01429	2.5
86.41084	1.9
88.03997	47.9
88.51688	9.1
89.89675	2.0
98.20860	2.5
101.00879	2.6
110.15476	1.7
116.03475	2.4
116.98696	2.3
119.01913	4.2
128.49489	5.0
129.49303	2.9
134.04524	3.4
137.49998	15.7
138.00093	3.3
138.49928	3.6
140.00426	3.1
142.03523	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.4
55.01871	9.5
56.96576	28.9
57.03447	36.0
58.99848	7.0
65.42463	4.7
65.52190	5.6
69.03435	14.4
69.57115	36.9
70.99883	8.2
73.02909	10.5
77.52200	7.4
78.52962	7.5
79.05486	12.9
79.51175	16.5
80.01240	5.1
81.03409	8.1
81.76447	5.0
82.01456	17.8
85.53741	7.4
86.52687	18.5
88.02698	15.0
88.51713	51.0
89.01734	11.0
89.51571	6.6
91.05493	10.6
93.01894	9.8
93.53510	6.1
95.53201	9.1
100.02499	50.7
101.00884	35.1
101.02503	6.5
102.02405	14.8
105.00371	6.2
106.06564	12.8
111.02937	14.6
113.00894	10.7
113.53211	6.6
116.98705	14.7
118.03534	20.4
119.01928	81.1
119.49014	7.9
119.97391	5.1
120.02061	10.3
121.01668	12.7
122.53679	6.0
124.02475	9.8
124.42010	4.6
125.99239	16.2
126.49276	8.8
126.99165	6.2
128.49509	39.4
128.97829	7.1
128.99500	11.3
129.03995	16.2
129.49396	16.5
131.01926	25.4
132.02139	4.8
133.03458	8.8
134.06033	29.5
137.02948	10.9
137.50020	100.0
137.98364	10.9
138.00066	30.0
138.49902	25.0
142.03537	54.3
143.03632	13.6
144.03284	5.9
145.03447	7.5
149.00865	9.8
154.03490	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	134.0966
Annotation	Tranylcypromine
Peak:m/z	Relative Intensity
56.05016	1.2
59.00310	0.8
60.59739	0.9
61.93765	1.0
62.93283	0.8
68.70087	1.0
69.79844	5.1
79.05479	2.2
91.05499	8.0
92.06255	1.3
93.07030	6.3
95.04916	1.1
98.21458	1.1
103.05455	3.1
103.25666	1.0
105.07047	19.6
115.05439	1.4
117.07030	2.2
118.06564	17.7
119.07333	97.9
126.53925	1.0
133.08841	1.1
134.09663	100.0
134.69194	0.9
135.09964	1.7
136.05571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0966
Annotation	Tranylcypromine
Peak:m/z	Relative Intensity
52.67659	0.5
53.03938	0.8
56.05053	1.0
56.40320	0.6
56.96570	0.7
65.03949	0.7
66.05078	0.6
67.05520	1.0
67.46639	0.6
70.11305	0.5
71.36971	1.1
71.66375	0.8
72.92654	0.7
74.27974	0.7
76.65582	0.6
79.05502	4.4
82.49254	0.7
87.20567	0.6
91.05475	9.4
92.05804	0.7
93.07054	7.7
95.04970	2.1
103.05470	4.0
104.04996	1.3
105.07037	23.4
106.06557	2.5
106.07359	2.0
107.04919	0.7
107.08618	1.3
115.05453	1.8
117.07012	2.7
118.06544	17.8
119.07330	100.0
120.07681	1.8
132.08105	1.2
133.08868	1.3
134.06107	4.1
134.09657	99.7
135.04453	1.1
135.08015	0.7
135.10001	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	135.0443
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03949	7.3
55.01864	2.5
55.05513	1.9
56.96551	1.2
57.67501	0.8
63.02370	4.1
65.03940	1.2
67.05516	4.8
69.07072	1.5
71.55994	1.2
76.18324	0.9
79.05064	1.7
79.05502	27.6
81.03397	1.0
81.07062	3.0
89.03927	100.0
90.04255	1.7
90.73708	0.8
91.05489	15.9
93.07058	17.6
95.04975	7.2
105.04536	3.4
105.07033	5.1
107.04968	16.0
107.08604	16.9
108.08155	2.0
112.00957	0.8
115.05475	2.8
117.03393	35.6
117.07040	2.1
119.06084	1.2
119.08588	2.6
119.39140	0.8
135.04433	62.4
135.08061	8.5
135.09019	1.3
135.11700	6.2
136.02165	7.9
136.04948	0.7
136.06200	6.0
136.07587	2.0
136.31046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0443
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02369	0.9
53.03732	1.1
53.03955	11.1
55.01866	3.3
55.05520	2.5
56.96576	2.3
63.02386	5.0
65.03935	2.5
67.05505	3.3
68.05035	1.0
69.03426	1.0
69.07079	1.1
69.88806	2.1
69.89204	1.5
77.03952	1.9
79.05119	1.2
79.05501	32.3
80.05020	2.5
80.05795	0.9
81.07058	2.5
89.03929	100.0
90.04241	0.9
91.05493	20.4
92.02627	2.3
93.05825	1.4
93.07056	17.0
95.04984	11.8
98.97585	0.9
103.02260	0.9
105.03435	1.1
105.04514	4.4
105.07041	5.6
107.04969	18.8
107.08617	19.6
108.08136	4.7
109.01131	1.5
109.06548	2.2
112.01070	1.0
115.05467	2.7
117.03397	31.2
117.07043	3.2
119.03561	1.6
119.08604	3.0
121.01605	1.3
125.39862	0.8
130.06567	0.9
135.04440	73.1
135.08067	10.4
135.11678	6.1
136.02176	18.1
136.04852	0.9
136.05058	1.1
136.06212	13.9
136.07503	4.7
137.04677	0.8
145.03983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03949	4.8
54.03460	1.0
55.01623	1.1
55.01876	15.8
55.05513	2.4
56.96571	1.2
64.80502	0.6
65.03947	9.7
66.93365	0.7
67.05510	6.0
68.02651	0.6
68.05029	1.9
69.03438	14.7
69.70159	3.8
69.70828	0.6
72.86543	0.6
73.29975	0.5
77.03489	0.6
77.03928	1.3
79.05497	49.0
80.05008	1.7
80.05846	0.8
81.07058	1.3
83.78740	0.6
86.70028	0.6
91.05486	100.0
92.05779	0.7
92.06278	2.4
93.05781	1.4
93.07055	13.8
95.04976	9.2
98.20805	0.8
103.05473	0.8
105.04549	2.1
105.07040	33.7
107.04967	5.4
107.08601	48.3
108.04491	1.0
108.08125	6.7
108.08860	1.0
109.01116	1.0
109.06523	11.4
112.00978	0.8
115.05462	30.1
116.06253	1.4
117.07021	18.4
119.03535	0.8
119.06081	9.3
119.08588	3.2
120.05745	2.3
120.09378	0.9
121.01568	1.4
124.05238	1.6
126.05544	0.9
133.06468	0.8
135.04466	4.1
135.05383	0.9
135.08063	35.2
135.11696	4.6
136.02167	11.9
136.03888	1.1
136.06189	5.2
136.07556	5.6
137.04546	0.6
138.71887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03941	7.2
53.05116	1.4
54.03471	3.2
55.01878	19.4
55.05500	6.6
65.03942	11.3
67.05500	10.3
68.05029	4.0
69.03434	16.4
79.05499	55.2
80.05032	4.4
81.07068	2.7
91.05489	100.0
92.05781	3.1
92.06286	2.6
93.04536	14.4
93.05782	2.6
93.07056	17.8
94.05314	4.1
95.04984	10.1
97.10962	1.5
105.04500	2.8
105.07038	32.3
107.04996	9.5
107.08598	60.5
108.08131	16.8
109.01118	2.6
109.06512	10.6
109.07639	3.2
115.05460	35.6
117.07027	23.2
119.06054	7.3
119.08609	3.2
133.06506	1.6
134.07130	7.4
135.04526	3.1
135.05536	3.9
135.06674	6.2
135.08066	54.1
135.09103	3.2
135.11656	7.3
136.02187	18.7
136.03943	1.8
136.06204	18.7
136.07626	11.5
136.08600	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	135.0807
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02372	2.1
53.03959	8.3
54.03479	1.5
55.01872	12.7
55.05511	4.6
56.96566	4.4
63.02363	1.5
63.57848	1.3
64.61469	1.0
64.71237	1.0
65.03951	10.2
67.05515	9.5
68.05025	2.5
69.03442	9.8
69.07063	1.5
70.46038	3.8
77.03942	1.7
79.05503	70.9
79.77325	1.1
80.05019	3.9
81.07069	3.1
89.03926	32.8
91.05490	100.0
92.05774	1.4
92.06273	3.5
93.05793	2.1
93.07053	33.1
94.06616	1.0
95.04979	12.3
96.04454	1.3
105.04528	3.3
105.07045	34.0
105.07707	1.1
106.04165	1.4
106.19791	1.1
107.04393	1.4
107.04978	13.4
107.08605	54.0
108.08134	10.2
109.01096	3.0
109.06530	11.4
115.05467	25.5
117.03397	11.8
117.07040	18.9
119.06070	8.8
119.08582	5.0
120.05730	1.1
120.09368	2.6
121.01559	1.8
129.57623	1.2
134.73524	1.1
135.04437	25.4
135.05449	0.9
135.08072	49.7
135.10814	1.4
135.11710	6.6
136.02176	21.8
136.06212	14.2
136.07530	10.1
136.08418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02359	1.5
53.03953	13.8
53.85509	1.3
54.03474	2.3
55.01870	6.7
55.05512	12.4
56.14190	1.4
56.96568	27.5
57.24155	1.3
65.03942	6.5
65.77107	1.5
67.05518	8.9
67.89130	1.2
68.02625	1.8
68.05028	4.7
69.03425	2.4
69.07053	5.6
70.59309	4.1
71.95251	1.7
75.01062	1.3
77.00784	2.2
77.03920	3.0
78.11768	1.3
79.05500	48.7
80.05017	5.9
81.03402	1.9
81.07063	12.6
83.00768	2.5
84.96016	2.2
88.01814	2.5
89.03927	14.7
90.01552	1.9
90.17300	1.3
91.00544	1.5
91.05483	77.8
92.05791	2.0
93.05808	6.6
93.07046	54.2
94.06618	1.4
95.04955	12.2
95.08627	1.8
96.01537	1.9
97.96808	1.8
98.97601	10.3
99.31452	1.2
102.59286	1.3
103.05463	4.4
104.06271	1.7
105.04523	5.3
105.06383	2.3
105.07041	30.8
107.04964	22.3
107.08598	100.0
108.04471	1.9
108.08131	17.1
108.08868	2.1
109.01118	3.3
109.06509	9.2
110.97580	4.4
112.01028	2.1
115.05476	6.2
116.98667	6.3
117.03327	3.0
117.07030	10.3
119.03580	1.3
119.06103	8.2
119.08591	18.4
120.09365	5.1
121.01511	2.3
122.69794	1.5
126.05544	2.4
128.98590	5.7
131.01895	3.1
133.10075	1.5
134.99690	3.2
135.04443	30.4
135.05524	3.8
135.06523	2.8
135.08076	25.1
135.09108	2.4
135.11705	31.1
136.02174	34.4
136.03815	2.4
136.06183	17.0
136.07562	21.5
136.11186	3.2
136.76292	1.2
141.03267	1.3
144.98059	1.4
146.99675	7.0
150.46849	1.3
153.71234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02373	1.8
53.03737	1.2
53.03953	14.0
54.03471	1.2
55.01877	5.9
55.05512	5.8
55.75010	0.9
56.96558	2.2
63.02379	4.2
65.03937	3.3
67.05507	3.9
68.05045	1.6
68.99773	1.3
69.03426	1.3
69.07074	2.3
71.55547	2.3
77.03923	1.8
79.05501	39.7
80.05009	3.8
81.03415	1.6
81.07053	3.5
89.03927	100.0
90.04277	1.3
91.05487	30.4
92.02620	3.1
93.05801	2.4
93.07056	29.1
95.04970	14.1
103.05472	1.7
105.03423	1.7
105.04530	7.2
105.07047	13.0
107.04966	22.9
107.08607	49.1
108.08131	8.8
108.08894	2.0
109.01132	1.8
109.06543	3.7
112.01042	2.3
115.05470	1.1
115.19460	1.0
117.03392	31.1
117.07036	4.1
119.03579	1.5
119.06087	2.8
119.08574	3.8
120.09390	1.4
133.10133	1.2
135.04437	78.0
135.05449	3.0
135.08087	11.0
135.11697	10.5
136.02170	24.0
136.03841	1.4
136.05083	2.0
136.06192	16.6
136.07567	8.8
145.03946	1.7
153.84639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.01610	0.6
51.02372	0.6
53.03953	7.7
55.01871	1.6
55.05518	10.7
57.07067	1.0
58.79639	0.5
63.02389	1.0
65.03953	2.6
65.29681	0.5
67.05515	4.3
67.91810	0.6
68.29913	0.5
69.03435	0.7
69.07066	4.1
69.28072	5.1
77.03928	1.7
79.05505	25.7
81.03449	0.8
81.07066	3.8
89.03927	19.8
90.04303	0.6
91.05492	42.2
93.07056	59.5
94.07858	1.2
95.04984	7.0
95.08624	1.0
98.20808	1.4
105.04547	3.1
105.07042	19.0
106.04199	0.6
106.07917	0.7
107.04979	4.7
107.08607	100.0
108.08144	0.9
108.08964	1.0
109.06518	5.0
112.01097	0.6
115.05487	1.5
117.03406	6.0
117.07034	2.0
119.03561	0.7
119.06074	3.8
119.08604	9.8
120.09358	2.4
133.10168	1.0
134.99794	0.5
135.04446	12.4
135.05466	0.5
135.08087	3.1
135.11713	19.0
136.02187	5.7
136.06172	4.9
136.07538	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	0.6
51.02372	0.6
53.03953	7.7
55.01871	1.6
55.05518	10.7
57.07067	1.0
58.79639	0.5
63.02389	1.0
65.03953	2.6
65.29681	0.5
67.05515	4.3
67.91810	0.6
68.29913	0.5
69.03435	0.7
69.07066	4.1
69.28072	5.1
77.03928	1.7
79.05505	25.7
81.03449	0.8
81.07066	3.8
89.03927	19.8
90.04303	0.6
91.05492	42.2
93.07056	59.5
94.07858	1.2
95.04984	7.0
95.08624	1.0
98.20808	1.4
105.04547	3.1
105.07042	19.0
106.04199	0.6
106.07917	0.7
107.04979	4.7
107.08607	100.0
108.08144	0.9
108.08964	1.0
109.06518	5.0
112.01097	0.6
115.05487	1.5
117.03406	6.0
117.07034	2.0
119.03561	0.7
119.06074	3.8
119.08604	9.8
120.09358	2.4
133.10168	1.0
134.99794	0.5
135.04446	12.4
135.05466	0.5
135.08087	3.1
135.11713	19.0
136.02187	5.7
136.06172	4.9
136.07538	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01835	0.8
55.05489	0.4
56.96570	2.7
57.03433	0.4
58.99862	2.0
59.04990	0.3
61.02899	0.3
61.98922	0.2
65.03922	0.8
67.05488	0.9
68.05003	0.3
69.03432	2.2
69.95106	0.8
70.36707	0.2
73.02889	0.5
74.74047	0.3
75.42632	0.2
76.53935	0.2
77.00884	1.1
78.52982	0.4
79.05466	1.2
80.04994	1.1
80.05779	0.3
81.03414	0.6
81.07034	0.8
82.01422	0.9
83.04970	0.4
85.01401	0.8
85.02868	0.3
86.02934	0.3
86.99306	0.4
87.59027	0.3
91.05476	2.3
91.53714	0.5
92.01125	0.2
92.02596	1.8
93.03391	1.0
93.05749	0.7
93.07027	0.9
94.02921	0.4
94.04057	0.9
94.06577	0.5
94.99834	1.0
95.01910	0.4
95.04955	0.8
95.08528	0.3
96.01554	0.3
97.00119	0.4
98.97563	0.6
100.02487	4.7
101.00864	1.0
101.02523	0.7
102.02222	0.8
103.02448	2.2
103.53688	0.3
104.52658	0.4
105.07019	0.7
107.04988	0.3
107.08591	0.4
108.04404	1.0
108.05171	0.3
108.08096	0.9
108.08804	0.4
109.01083	1.4
109.02802	0.3
109.06516	0.4
110.52683	4.5
110.54477	0.4
111.02801	1.0
111.53470	0.3
113.00882	17.6
113.01619	2.2
113.05245	0.5
113.51852	0.4
114.00965	0.4
115.01171	1.0
115.02440	0.4
117.04008	0.6
118.02132	0.3
118.03522	2.6
118.06575	0.5
119.01922	2.3
119.03606	1.5
119.04964	0.4
119.08558	0.4
119.53252	0.4
120.02126	0.4
120.03274	0.3
120.04385	0.3
121.03493	0.8
121.06535	0.3
122.02172	2.0
122.52225	0.4
124.06254	0.3
124.52422	4.8
125.02535	0.6
125.53190	0.8
126.03483	0.4
131.01915	100.0
131.53247	0.3
132.01974	2.8
132.05057	0.4
133.02353	0.5
133.03479	0.6
133.52933	2.3
134.03084	0.3
134.99684	0.3
136.02179	13.4
136.03946	1.1
136.06195	12.4
136.07574	2.8
136.11217	0.4
137.02296	0.4
137.04599	1.1
137.05983	0.7
138.03062	0.4
141.03928	0.3
145.03503	1.2
147.01453	0.7
149.02979	21.6
150.03047	0.7
154.03488	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	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
55.01868	0.7
55.05510	0.3
56.96560	1.0
57.03433	0.3
62.78889	0.2
67.02983	0.5
68.05037	0.3
69.82308	1.3
73.08689	0.2
78.52972	0.3
80.04993	0.3
82.01435	0.5
84.57772	0.2
91.05487	4.5
92.02496	0.5
94.04062	4.5
100.02497	1.2
101.00891	0.3
107.04971	0.4
108.08143	0.6
109.05149	0.7
110.03533	0.2
113.00892	1.9
114.00897	0.2
116.03748	0.3
119.03560	13.4
119.04813	1.2
131.01917	5.3
133.03542	0.2
136.06197	100.0
137.04607	6.7
137.06667	1.2
142.03488	0.2
149.03011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0759
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
53.03746	1.4
53.03952	15.3
54.03476	7.2
55.01869	9.1
55.05518	7.4
56.96553	3.2
62.48316	1.2
62.59060	1.2
65.03936	6.6
66.04697	1.9
67.05497	8.7
68.02645	5.6
68.05033	11.1
69.03419	4.9
70.09215	5.4
77.03929	1.9
79.05499	6.7
80.05023	15.4
80.05812	2.0
81.03415	2.7
81.07035	8.9
91.05490	45.3
92.05820	4.8
93.05789	17.1
93.07053	17.4
94.04176	11.6
94.06561	4.1
94.07397	5.1
95.04966	13.6
95.08617	4.1
96.04517	3.2
105.04516	4.8
106.06638	1.9
106.07340	2.3
107.04950	2.2
107.07343	2.4
107.08604	1.8
108.04505	6.4
108.05196	1.6
108.08139	56.9
108.08910	9.6
109.01093	8.7
109.06505	3.8
116.65221	1.3
117.05749	4.3
118.06544	5.4
119.03569	7.4
119.04945	1.9
119.08578	1.5
120.04413	1.8
120.08911	2.3
122.03661	14.3
122.07278	5.5
126.05536	9.4
131.01939	2.9
136.02176	97.3
136.03931	7.8
136.05246	2.2
136.06206	52.1
136.07582	100.0
136.11133	3.2
136.12064	1.7
137.02498	2.0
137.03537	1.6
137.04593	3.6
137.05986	27.4
137.07967	1.9
137.09612	7.5
143.89612	1.2
150.01492	1.2
154.04924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02388	0.6
53.03965	3.1
55.01889	1.4
55.05525	1.3
56.96579	1.4
57.03453	0.5
57.07098	0.5
65.03936	2.6
66.04729	6.6
67.05508	8.1
67.05834	0.7
68.05013	0.7
69.03444	1.6
69.07079	0.8
69.17662	4.2
69.18076	1.1
77.03947	0.5
79.05503	6.3
81.03424	1.1
81.07069	8.6
91.05492	7.7
93.07052	3.0
94.04199	50.8
95.04987	3.3
95.08617	5.7
96.04498	0.8
96.08177	0.6
98.20710	1.0
105.03394	0.8
105.04546	0.6
107.04958	2.9
109.06537	3.7
109.08482	1.0
109.10177	2.6
110.09736	0.4
116.37093	0.4
119.04947	0.7
119.08615	1.3
120.04489	0.7
122.03662	70.0
122.07285	4.1
123.03999	1.2
124.04643	0.8
135.04398	0.5
137.02539	2.4
137.05991	100.0
137.09602	5.8
137.13196	0.5
138.05473	1.2
138.06363	1.7
138.09123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02381	0.7
53.03941	1.9
55.01869	1.1
55.05496	1.1
56.96558	2.1
65.03940	3.0
66.04729	7.8
67.05499	3.5
69.03417	1.6
70.14346	2.9
70.99256	0.7
71.32911	0.7
79.05498	5.7
80.05022	0.6
81.03403	1.5
81.07066	8.0
91.05490	6.7
93.07039	2.0
94.04195	51.3
94.06537	1.0
95.04958	2.8
95.08614	3.6
105.03416	1.0
105.04561	1.0
107.04967	2.5
109.06519	2.2
109.10152	1.3
110.09685	1.3
119.04933	1.3
120.04484	1.3
121.01838	0.7
122.03657	67.4
122.07259	1.1
123.03956	1.0
135.04417	0.6
137.02473	2.1
137.05980	100.0
137.09573	3.3
137.13249	0.7
138.05498	1.9
138.06352	1.9
138.09128	1.6
142.34314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.7
53.03953	1.2
55.01877	0.6
56.57505	0.3
65.03951	1.5
66.04733	7.1
67.05507	0.5
69.88496	1.5
77.03933	1.1
79.05498	5.0
81.07066	2.2
82.83581	0.4
86.51466	0.3
91.05495	3.6
93.03444	0.3
94.04197	54.3
95.04971	1.1
105.03383	1.0
107.04973	1.9
109.06527	0.9
122.03660	71.0
123.03983	1.1
135.04443	0.8
137.05991	100.0
138.06364	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02403	0.8
53.03951	2.2
55.01889	1.1
55.05531	0.8
56.96582	0.7
57.03453	0.5
57.07078	0.5
65.03947	2.1
66.04729	7.2
67.05514	7.2
69.03443	1.1
69.64190	2.5
72.14296	0.3
77.03948	0.8
79.05501	6.6
81.03432	1.2
81.07066	7.4
91.05489	8.4
93.07062	1.7
94.04197	49.6
95.04467	0.6
95.05016	3.2
95.08612	3.5
105.03399	1.0
105.04532	0.9
107.04967	5.3
107.08607	0.8
109.06520	3.0
109.10162	5.3
110.06058	0.5
119.04978	0.5
119.08578	2.4
121.06531	1.8
122.03661	65.9
122.07285	13.4
123.04019	1.2
135.04466	1.0
135.08025	0.5
137.02560	2.0
137.05986	100.0
137.09601	13.0
138.05434	0.7
138.06358	1.3
138.09158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0964
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02369	1.6
53.03955	8.7
55.01869	4.7
55.05522	10.6
56.96558	4.1
57.03436	2.1
57.07085	1.3
65.03958	8.2
66.04743	5.6
67.05514	74.7
68.05034	1.6
69.03442	7.0
69.07063	4.5
71.55230	1.3
73.75464	1.0
77.03920	2.2
78.04707	1.0
79.05501	21.2
81.03439	6.7
81.07066	38.9
82.06581	2.5
83.05010	2.2
89.58926	1.0
91.05493	43.9
92.05794	1.9
93.07046	14.5
94.04201	42.1
94.06592	1.7
94.07846	2.1
95.04977	22.4
95.07349	1.6
95.08617	24.8
96.04499	2.5
96.08099	1.3
98.97581	1.8
103.05442	2.2
104.06258	1.6
105.03426	1.5
105.04542	2.7
107.04290	2.0
107.04971	27.3
107.08615	6.3
108.05807	1.9
108.08180	1.1
109.06530	42.2
109.08490	2.2
109.10168	54.1
110.06028	3.0
110.09669	1.7
110.10437	1.0
111.37663	1.2
117.06996	2.6
119.04932	2.5
119.06087	1.8
119.08595	20.5
120.04469	2.4
121.06527	11.7
122.03667	55.9
122.07300	88.4
123.07687	1.1
135.08052	4.6
137.02490	9.6
137.05988	86.9
137.09630	100.0
137.13271	1.7
138.05502	3.5
138.06403	1.6
138.09126	4.6
138.10039	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	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
53.24559	1.0
55.01874	1.8
55.05508	4.8
56.96569	1.6
57.07080	2.0
65.03940	3.3
66.04717	3.0
67.05510	39.0
69.03433	4.4
69.07059	3.4
69.18705	8.9
79.05494	8.8
81.03394	1.1
81.07061	20.5
91.05486	19.6
93.07060	7.2
94.04192	16.7
94.07832	1.3
95.04969	6.5
95.08609	19.9
95.99863	0.8
98.21534	1.7
103.05484	1.6
104.06265	1.5
107.04964	24.0
107.08595	3.3
109.06520	5.0
109.08492	1.8
109.10164	37.3
110.06069	1.5
110.09695	1.4
110.72930	0.8
117.06976	2.0
119.04984	1.6
119.07787	1.8
119.08575	15.9
119.09351	1.3
120.04464	0.8
121.06519	7.7
122.03666	20.9
122.07291	100.0
123.04017	1.0
123.07620	1.9
135.08078	2.9
135.35106	0.8
137.02431	3.3
137.05984	38.6
137.09622	83.5
137.13234	1.5
138.05481	2.0
138.09117	3.1
151.12874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03949	2.9
53.80199	0.4
55.01882	1.0
55.05513	1.9
58.59089	0.4
58.70603	0.4
58.70915	0.4
65.03953	1.3
66.04742	0.7
67.05509	27.0
69.03439	2.2
69.07076	1.0
75.48668	0.4
77.03922	0.8
78.04723	0.6
79.05499	5.1
81.03446	0.4
81.07066	10.2
91.05489	13.9
93.07059	4.3
94.04203	3.7
94.07837	1.7
95.04974	2.7
95.08614	6.3
97.03250	0.4
103.05477	1.8
103.73743	0.4
104.06280	1.1
105.04510	1.0
105.07057	0.6
107.04960	24.3
107.08604	1.6
108.05344	0.4
109.06544	2.4
109.10165	33.5
116.45409	0.4
117.07024	2.1
119.08590	16.1
121.06513	8.7
122.03685	5.2
122.07295	100.0
123.07645	1.4
135.08064	3.9
137.02405	0.7
137.06015	6.0
137.09625	81.4
138.05516	0.8
138.09973	1.5
149.07079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.73500	0.8
51.02371	1.4
53.03942	6.5
54.18514	0.9
55.01872	2.0
55.05520	4.3
56.96555	4.1
57.03419	0.9
57.07069	1.7
65.03936	5.3
66.04722	7.2
67.05509	35.6
68.05042	2.2
69.03426	5.4
69.07060	3.2
69.65164	5.5
70.78812	0.9
79.05495	15.1
80.05011	1.0
81.03400	3.0
81.07063	26.5
82.02438	1.0
82.06573	2.0
88.93855	0.8
91.05485	24.7
92.05012	0.9
92.05810	3.1
93.07055	11.3
94.04194	51.4
94.06567	1.6
95.04972	8.4
95.08612	22.7
96.04526	1.6
96.08150	1.5
98.20821	1.9
103.05478	1.7
104.06291	1.0
105.04503	2.2
107.04965	21.5
107.08612	2.1
108.08106	1.6
109.06538	7.6
109.07738	1.3
109.08443	3.7
109.10159	26.4
110.06049	1.2
110.09711	4.2
117.07016	2.0
119.04946	2.1
119.08591	13.1
120.04464	2.8
121.06517	7.1
122.03655	62.1
122.07292	69.3
123.04020	1.6
123.07619	1.2
128.42130	0.9
135.08041	2.5
137.02518	9.8
137.05980	100.0
137.09619	67.8
137.13164	2.0
138.05495	5.2
138.06323	1.4
138.09120	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	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03947	1.2
55.05514	5.9
55.55678	0.4
57.07081	13.3
65.03952	1.1
66.04745	0.7
67.05514	29.9
68.90724	0.4
69.07074	7.5
69.07415	0.7
70.79350	0.9
70.79681	0.6
75.84200	0.4
79.05504	11.3
81.07066	80.0
82.07419	0.7
88.07522	0.5
91.05496	1.3
93.07051	6.6
94.04214	1.0
95.08618	100.0
96.08951	1.3
107.08585	1.2
108.09333	1.1
109.10172	8.5
122.03692	2.2
124.69814	0.5
137.05972	2.5
137.09653	0.5
137.12303	0.8
137.13274	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33486	0.6
56.96294	1.0
56.96572	20.5
71.95287	5.1
73.21954	0.5
76.28637	0.6
81.04563	0.7
85.02951	0.5
95.49418	0.7
98.97592	100.0
116.98631	43.8
117.98956	0.5
134.99681	9.9
140.00182	0.7
142.31306	0.5
153.00780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51773	5.2
55.51079	5.6
67.48534	4.9
71.30261	10.5
73.95432	5.0
82.99841	6.4
86.81071	5.0
92.30828	5.8
101.00902	42.5
119.01922	100.0
137.02954	16.8
142.03481	28.8
144.26234	5.6
163.95308	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	6.3
59.32769	1.3
62.49523	1.4
69.97969	1.4
70.89320	2.3
70.89654	2.1
79.05508	7.2
82.01408	2.0
82.71766	1.2
82.99840	5.7
97.06539	2.9
98.97605	1.9
100.02485	4.0
101.00890	46.2
118.01156	1.5
118.03542	4.0
119.01930	100.0
124.02422	2.2
125.06004	2.3
131.97488	1.4
137.02003	1.9
137.02977	17.4
142.03493	13.1
142.08629	3.7
143.03442	2.4
160.04559	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	4.3
58.99862	3.3
59.93132	2.8
70.37473	9.7
70.99879	4.8
79.05499	3.8
82.06576	3.7
82.99844	6.0
98.97597	4.5
100.02524	3.2
101.00890	52.9
118.03530	4.2
119.01933	100.0
121.82005	3.3
137.03011	20.1
142.03481	14.4
142.08650	5.5
143.03381	6.4
160.04555	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
55.05510	0.6
56.96569	4.5
57.03432	0.6
58.99873	1.1
60.95133	0.6
60.95826	0.5
61.02928	0.5
69.03422	2.5
70.06578	0.8
70.98120	0.8
70.99865	2.7
71.31860	0.6
77.00908	0.9
82.51570	0.4
82.99848	4.0
83.01344	0.4
84.04480	0.5
84.08146	1.5
84.96049	0.5
85.02906	1.1
89.00892	1.4
91.52089	0.3
97.02897	2.6
97.06509	0.4
98.06046	0.6
98.97584	2.0
100.02525	0.6
101.00887	43.3
101.95023	1.0
101.97176	0.5
102.00945	2.1
102.96893	2.7
103.00652	0.8
113.00843	0.4
115.02421	0.5
116.98565	0.5
119.01926	100.0
119.98792	0.5
120.01991	5.8
120.97920	1.3
121.01653	0.6
121.02411	0.7
124.02502	0.4
125.02351	2.6
131.01880	0.5
133.03497	0.7
137.02960	19.0
138.03081	1.3
142.03496	1.4
143.01945	1.0
143.03407	19.1
143.11768	0.5
144.04932	0.4
144.06569	0.5
160.86366	0.4
161.02951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01863	4.4
55.05522	1.6
57.03435	5.2
60.86392	1.0
62.92996	14.5
67.01846	1.1
67.05508	2.2
69.03420	3.5
70.94205	3.2
71.01331	2.3
71.05001	20.0
71.36597	1.1
79.05510	1.7
81.03414	8.3
82.06180	1.3
82.06593	13.2
84.08129	1.3
85.02918	6.0
86.06059	2.3
91.05488	16.2
97.02919	1.6
99.04463	54.6
100.07624	16.5
101.02361	1.0
103.05466	4.5
104.95443	0.9
105.07038	83.6
106.07305	1.5
115.05468	9.9
116.06277	2.3
117.05772	1.4
117.07021	27.2
118.06529	3.6
119.97228	1.1
121.25295	1.1
121.96648	18.7
127.03935	8.8
128.06247	8.0
129.07033	10.3
130.07803	47.0
131.08163	1.1
134.69936	1.0
143.08563	10.5
144.98201	3.4
145.04977	3.4
145.06520	1.8
145.10130	100.0
146.06029	3.1
146.08087	3.5
146.10458	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	146.0603
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.47865	0.6
51.93911	0.6
54.11767	0.6
56.96571	1.7
59.83310	0.6
65.03965	1.3
70.55410	1.9
71.05000	0.7
82.06590	1.5
86.03267	0.8
91.05494	29.7
99.04450	0.7
100.04808	1.1
100.07638	2.5
110.70661	0.6
117.05768	7.1
118.06557	100.0
118.41025	0.5
119.04941	2.6
119.06868	3.1
119.97314	1.0
128.04984	29.5
129.04465	1.0
146.06030	59.8
147.04442	0.8
147.06357	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.05498	0.4
56.96562	0.7
65.03941	0.5
69.03418	0.3
71.15110	0.5
74.68782	0.2
77.14528	0.2
82.03740	0.3
82.06584	1.5
86.06055	0.2
91.05481	27.4
92.05813	0.4
100.04784	0.5
100.07607	2.1
102.35820	0.2
105.07028	0.7
106.07378	0.3
110.06001	0.2
117.05769	5.1
117.07062	0.3
118.06543	100.0
119.04955	2.4
119.05731	0.3
119.06077	0.3
119.06878	2.4
119.08538	1.1
119.97451	0.3
123.96461	0.3
128.05003	0.3
130.34402	0.2
145.64590	0.2
146.06010	10.9
146.08110	0.6
146.10567	0.3
147.04401	0.7
147.06332	0.3
147.08034	0.5
147.11687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.22004	0.6
65.03944	12.2
69.36629	3.1
69.37052	2.2
78.29541	0.7
91.05483	100.0
92.05827	2.7
105.07033	1.5
119.04945	90.4
119.08566	1.1
120.05296	2.1
147.04411	32.7
164.75552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02374	0.6
52.83295	0.7
56.56379	0.6
64.92808	2.2
65.03942	11.4
65.12200	0.6
69.03431	3.2
70.14312	3.1
83.04976	0.8
83.06886	0.8
85.02888	1.0
91.05487	100.0
92.05827	1.8
97.57683	0.6
98.20824	1.0
101.07969	1.2
103.04001	0.8
103.05471	0.6
105.07041	3.2
119.04951	89.0
119.08570	5.8
120.05304	3.0
123.96474	2.6
145.10036	0.7
147.04422	31.1
147.05334	1.2
147.08054	1.9
147.11690	2.1
148.04855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
55.63739	0.4
65.03944	9.4
67.05516	0.4
67.98611	0.5
69.03417	0.6
69.75626	1.6
69.76033	0.9
84.04494	0.9
85.69662	0.5
91.05488	100.0
92.05820	1.8
97.62936	0.4
98.21523	0.6
105.07044	4.2
117.07018	1.2
119.04953	94.8
119.08575	6.3
120.05280	2.6
129.04532	0.5
131.61049	0.4
132.09398	0.5
145.10117	0.6
147.04420	33.5
147.08064	1.6
147.09117	0.5
147.11720	2.6
148.04800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03947	12.6
65.86021	0.4
69.58531	0.4
70.67187	1.5
91.05489	100.0
92.05827	2.0
93.27331	0.4
95.04954	0.5
95.65898	0.4
105.07028	2.8
117.07044	0.8
119.04954	95.8
119.08593	3.5
119.44569	0.5
120.05255	2.0
147.04427	35.8
147.11700	1.4
148.04807	0.8
151.46118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.59028	0.5
52.05993	0.4
60.73895	0.5
60.91444	0.5
61.89073	0.5
62.39060	0.5
65.03941	11.1
66.39779	0.5
69.26999	4.2
69.27409	1.0
81.86599	0.6
91.05483	100.0
92.05804	2.1
93.33253	0.5
104.69135	0.6
105.07031	1.3
110.32883	0.5
119.04944	92.4
119.08590	2.7
120.05265	2.6
123.88338	0.5
128.98898	0.5
147.04416	32.7
147.08142	1.0
147.11708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05507	1.5
56.96581	3.0
59.75009	0.6
60.11401	0.6
62.01088	0.6
64.92806	2.6
65.03946	10.1
69.03430	1.7
70.70254	1.5
79.05495	1.3
84.04500	3.1
84.08168	1.2
85.02901	1.2
91.05489	100.0
92.05820	2.6
96.31120	0.8
102.05540	0.7
103.04018	1.1
103.05483	1.7
105.07035	5.7
107.04951	2.2
112.25433	0.7
117.06997	1.8
119.04954	85.8
119.06832	2.9
119.08576	7.8
120.05285	1.4
123.96471	4.3
130.05031	0.7
132.05746	0.7
140.27615	0.6
146.91780	0.9
147.04430	35.3
147.05467	1.6
147.08092	4.9
147.09200	1.7
147.11674	3.1
148.04878	0.9
148.07591	0.8
165.04338	0.6
167.07072	1.1
168.17960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
57.81703	0.7
65.03942	11.3
69.03439	1.0
69.27560	2.2
69.27962	5.1
70.71521	0.7
83.05862	0.8
91.05486	100.0
92.05824	2.5
103.05502	0.9
105.07034	7.1
117.07000	1.2
118.04196	0.7
119.04952	83.5
119.08573	8.0
120.05298	2.3
120.50050	0.8
123.96497	1.0
137.25955	0.8
147.04428	32.4
147.05479	1.7
147.08127	1.5
147.11716	3.3
148.04813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03989	0.6
55.05512	0.7
56.96576	2.0
64.92815	1.9
65.03955	11.0
69.03423	0.9
71.03542	1.5
84.04528	1.3
84.08154	1.0
91.05495	100.0
92.05806	2.6
97.09800	0.5
102.76021	0.6
103.05492	0.8
105.07054	2.4
119.04963	92.7
119.08582	3.9
120.05300	2.1
123.96458	2.3
147.04433	32.2
147.06392	1.2
147.08118	2.2
147.11758	0.9
148.04901	1.0
167.44003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.45827	0.8
52.70132	1.1
53.03950	2.0
54.97206	0.9
55.05520	12.6
55.97741	0.9
60.68467	1.0
61.02943	1.0
62.98737	1.1
64.92824	1.2
65.03950	7.2
67.05510	3.3
69.03416	2.8
69.07069	2.9
69.75293	5.2
79.05495	9.2
81.07049	1.6
84.04489	2.0
85.02913	1.7
91.05492	74.3
92.05788	1.6
93.07034	3.2
95.04979	2.4
98.20758	2.1
99.31848	1.0
103.05464	4.2
104.06262	2.5
104.90781	1.0
105.07043	77.3
106.07353	1.0
107.04954	1.4
107.08610	5.4
115.05450	2.1
116.06225	1.7
117.07034	13.4
119.04954	34.4
119.08595	100.0
120.04462	0.9
120.08925	2.2
123.96451	1.1
124.53496	1.3
128.06233	1.4
129.07042	2.1
131.08583	2.4
132.09369	5.2
145.10144	8.2
147.04448	17.5
147.05519	2.3
147.08043	6.7
147.11702	46.0
148.11992	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	148.0605
Annotation	Glutamate
Peak:m/z	Relative Intensity
54.90108	0.3
55.01872	0.7
55.05518	0.5
56.05044	6.0
56.96579	2.2
57.03432	0.6
57.07078	0.7
58.06598	1.1
60.04527	0.6
60.63108	0.4
65.03939	2.4
67.05506	2.1
69.07062	0.9
69.63165	2.4
70.06597	0.7
72.08163	13.0
74.02434	2.5
74.80719	0.4
79.41284	0.4
84.04512	100.0
84.08148	4.7
85.02905	2.1
85.04382	0.4
85.04835	2.4
85.06538	3.7
85.08482	3.7
85.08963	0.5
95.05017	0.5
98.21468	0.7
100.02537	0.5
102.05551	14.4
102.09189	13.1
121.02897	3.4
121.04019	1.1
126.67058	0.4
130.05013	7.1
130.08675	0.5
142.01836	0.5
148.06075	0.6
148.09750	0.7
149.02345	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	148.0606
Annotation	D-Glutamate
Peak:m/z	Relative Intensity
51.87972	0.4
55.01868	0.7
55.05508	2.2
56.05037	5.6
56.96570	10.4
57.03435	0.8
57.07067	0.5
60.95840	0.9
61.92172	0.4
65.03944	9.2
67.05508	1.7
69.03412	0.8
69.07066	0.6
69.93700	1.9
70.06575	0.5
70.30830	0.4
73.06575	0.6
74.02441	0.4
75.98656	0.5
81.03416	0.5
81.07066	0.7
83.00792	0.6
83.05003	1.2
83.08603	0.6
84.04510	100.0
84.08150	1.2
85.02908	3.3
85.04857	2.2
85.06548	3.5
85.08475	1.2
91.05491	1.3
92.05010	1.6
92.05826	1.2
93.03417	1.7
93.07056	0.8
95.05061	0.5
97.02338	0.5
98.97615	1.0
100.99139	0.6
102.03382	2.9
102.05548	15.2
102.09180	0.9
102.96886	0.9
103.00532	0.5
103.05466	0.6
105.04453	0.5
106.02941	0.5
106.96595	2.2
109.67690	0.4
111.03855	1.2
111.04507	2.7
112.07649	0.8
119.00233	0.8
120.04456	1.3
120.05270	0.8
120.08105	0.6
121.02886	9.3
121.03990	2.3
121.06518	0.7
121.67249	0.4
122.02383	0.6
124.04646	1.1
124.97639	0.9
130.02925	0.6
130.05008	7.4
133.05235	0.8
148.03903	4.3
148.04929	0.8
148.06105	1.0
148.07571	1.2
149.01167	0.8
149.02351	14.2
149.03278	0.5
158.01230	0.5
163.02806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03948	6.9
55.01869	6.3
56.96579	2.6
65.03947	54.4
67.05498	2.3
69.03418	3.7
69.45586	10.8
70.87669	1.5
75.89735	1.4
77.03947	2.0
78.04710	4.3
79.05499	20.9
81.07058	3.2
83.93797	1.3
89.03909	3.3
91.05489	64.5
92.05782	2.0
93.03410	15.4
93.07053	39.7
95.04964	4.1
98.03672	2.1
100.04713	1.4
102.03366	2.5
103.05476	11.0
105.03391	1.6
105.04526	4.1
105.07044	42.6
106.04204	7.0
106.07816	4.9
107.04983	2.8
107.08598	8.4
108.17032	1.5
109.06516	2.6
111.04485	7.9
115.05457	5.9
116.06244	21.3
119.08562	7.3
120.75391	1.6
121.02875	54.2
121.03981	18.1
121.06496	23.1
121.10153	35.2
123.08083	4.0
128.06184	1.6
129.07008	5.1
131.04959	1.8
131.08571	21.6
131.56526	1.3
133.07600	3.5
134.03627	5.3
134.07281	3.0
147.08081	1.4
149.02354	100.0
149.06033	8.8
149.09631	76.0
150.05530	1.5
150.10040	1.5
159.98729	1.3
165.57091	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02365	1.2
53.03953	5.0
55.01880	2.1
55.05514	13.2
56.96574	2.1
65.03948	53.9
66.04269	0.8
67.05512	37.2
69.06723	1.3
69.07076	23.6
71.55444	1.6
77.03939	2.1
79.05502	69.5
80.02610	1.1
80.05820	1.0
81.03411	1.7
81.07066	99.2
82.07389	1.3
83.08633	4.9
86.71102	0.9
89.03917	1.3
91.05491	27.7
93.03410	9.4
93.07056	100.0
94.07347	1.8
95.04973	5.5
95.08618	19.9
98.03687	3.1
103.05472	2.3
105.04492	1.7
105.07047	10.9
107.04974	1.7
107.08606	75.7
108.04464	1.9
108.08902	1.2
109.06515	1.2
111.04469	7.5
119.08613	2.3
121.02875	50.6
121.03987	18.9
121.06499	1.9
121.10158	19.6
134.64618	0.9
147.11739	1.1
149.02357	86.3
149.06013	2.2
149.09654	7.4
149.13274	45.3
150.02705	2.8
150.05588	1.2
150.13678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.77865	1.7
53.03937	5.4
55.05514	12.8
56.39403	1.6
65.03612	1.9
65.03944	30.9
67.05508	36.3
67.44685	1.6
68.90891	1.8
69.07072	24.5
69.27325	15.3
79.05497	75.3
80.05819	2.3
81.07059	96.8
82.07359	1.7
83.08611	5.4
91.05490	27.5
93.03397	5.5
93.07050	100.0
95.04996	4.5
95.08613	20.8
105.04520	2.6
105.07061	10.5
107.08601	79.3
109.06524	2.5
111.04458	4.2
119.08553	2.4
121.02870	34.1
121.03979	12.0
121.10152	24.4
149.02350	60.1
149.03499	3.9
149.06046	2.0
149.09636	4.7
149.13266	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03943	3.7
55.01862	3.1
55.05503	3.2
56.96563	2.4
57.07062	2.1
65.03947	48.0
67.05492	2.8
69.03435	1.5
69.07054	1.9
71.39323	1.9
72.49160	1.3
76.29230	1.0
77.03912	1.2
78.04691	1.4
79.05491	13.2
81.07059	3.2
81.23960	1.0
91.05486	19.7
93.03412	10.9
93.07056	22.0
95.04979	3.2
98.03673	2.3
103.05453	3.1
105.04528	1.1
105.07035	23.9
106.04189	3.9
106.07835	1.6
107.04945	1.4
107.08602	26.5
108.04457	2.2
109.06498	1.7
111.04448	7.9
114.21831	1.2
114.45775	1.1
116.06250	1.5
116.57732	1.0
119.06138	2.2
119.08606	6.6
120.09394	1.2
121.01994	2.2
121.02872	52.5
121.03977	16.3
121.06504	8.8
121.10155	53.8
122.03168	1.3
123.08044	2.8
131.08554	1.8
133.07614	2.0
133.10127	2.8
134.10915	2.2
149.02354	100.0
149.06006	2.8
149.09630	16.3
149.13255	9.3
150.02664	2.3
150.03757	1.1
150.05553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02362	1.5
53.00953	1.2
53.03948	7.8
54.20679	1.1
55.01864	2.8
55.05514	15.0
65.03949	27.1
65.97310	1.2
67.05508	37.6
67.90881	1.2
69.07072	21.4
69.49015	9.5
79.05496	74.5
81.03423	4.0
81.07062	96.5
82.07413	2.1
83.08615	5.4
91.05489	33.6
93.03399	4.2
93.07050	100.0
95.04987	7.9
95.08615	19.4
98.20731	2.5
103.05457	1.5
105.04495	2.0
105.07021	9.3
107.04965	48.0
107.08601	82.8
109.06559	1.5
111.04470	3.8
119.04956	3.8
119.06124	1.6
119.08620	1.8
120.05769	6.8
121.02875	25.2
121.03979	8.6
121.05430	2.2
121.06513	3.1
121.10148	23.3
149.02351	50.7
149.04955	2.7
149.09637	19.8
149.10748	2.4
149.13263	47.0
150.02730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
50.61880	0.8
51.02375	1.8
53.03949	7.4
55.01881	9.0
55.05514	49.9
56.96574	7.1
57.03428	2.6
57.07050	1.3
59.04987	1.9
65.03945	17.3
67.05508	31.9
68.95301	1.1
68.99794	1.2
69.03436	6.9
69.07049	3.9
69.79446	3.3
69.79851	1.8
70.06581	1.5
70.71654	0.8
71.01360	0.9
72.46320	0.9
73.02883	1.7
77.03925	3.3
79.05492	13.9
80.02619	1.8
81.03400	3.2
81.07062	37.1
83.04922	1.0
84.02137	1.3
85.02901	3.3
91.04917	0.6
91.05473	16.7
93.03407	0.9
93.07047	16.0
95.01340	1.4
95.04973	20.1
95.08613	12.7
96.01567	1.7
96.08134	1.2
97.06527	7.3
97.99120	1.0
98.97582	4.9
105.03401	1.7
105.04523	1.9
105.07039	15.9
107.04932	1.7
107.08597	12.0
108.02105	20.9
108.05747	1.6
109.02917	1.5
109.06522	17.0
109.10159	16.6
110.01270	1.5
110.97501	1.5
111.04431	2.9
112.01617	1.2
116.98618	2.2
119.01788	3.4
119.04924	3.1
121.03997	2.6
121.10138	1.8
123.03551	0.8
123.04420	4.1
123.08068	9.7
123.11719	10.8
124.07571	1.6
128.02318	3.9
133.06502	2.4
133.10135	8.4
134.06052	1.7
136.01543	2.6
141.05475	12.6
151.03896	100.0
151.05040	42.2
151.07532	13.6
151.09464	1.3
151.09862	1.3
151.11180	25.0
152.04308	2.5
152.07062	3.3
152.10698	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03942	2.6
55.01868	3.3
55.05505	3.4
56.96571	6.5
57.03432	1.5
57.07060	1.6
59.05027	1.0
65.03949	5.0
67.05511	14.9
68.95280	2.1
69.03422	3.0
69.07071	3.2
71.04998	1.2
71.54430	0.8
71.54823	0.9
73.02920	1.4
75.01003	0.9
77.03942	0.9
79.05502	7.8
81.03415	2.4
81.07068	23.0
81.11598	0.8
82.01833	1.0
83.04987	0.9
85.02898	1.3
89.00761	1.6
91.05493	11.3
93.07066	7.8
94.06532	0.7
95.01302	0.9
95.04970	7.5
95.08627	10.7
96.01545	1.6
96.08120	1.2
97.06509	0.7
98.01283	0.9
98.97564	4.0
104.01291	1.0
105.03424	1.2
105.04533	0.9
105.07045	14.7
107.04953	1.7
107.08597	7.8
108.02103	3.0
108.05730	1.0
109.06524	19.6
109.10159	12.8
110.01295	2.0
110.09779	0.8
110.97543	1.0
111.04401	1.1
116.98646	1.8
119.01813	3.9
119.04985	1.6
121.06516	1.3
121.10159	2.4
123.04469	2.6
123.08079	8.5
123.11724	4.7
124.07629	0.8
128.02347	1.0
128.98630	1.2
133.06438	0.9
133.10136	6.7
134.06042	0.9
134.99669	0.8
136.01550	1.0
136.08846	1.3
141.05440	1.5
151.02881	1.6
151.03912	21.2
151.05061	8.7
151.07607	7.8
151.11195	100.0
152.01584	1.0
152.07079	2.1
152.11580	2.2
154.56923	0.7
162.74828	0.8
166.79024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	2-Amino-3-methylbenzoate
Peak:m/z	Relative Intensity
53.03945	2.7
54.14012	0.7
54.14714	0.7
55.01870	2.0
55.05507	3.8
56.05019	0.7
56.96572	40.9
57.03444	6.8
57.07074	1.6
60.05637	1.0
60.99610	0.6
61.02925	2.3
63.93989	0.6
65.03940	5.2
66.13183	0.6
67.05505	4.0
68.05037	1.1
68.98326	0.8
69.03427	5.4
69.07070	2.9
70.06602	7.6
70.42335	1.3
70.42713	1.5
70.98120	1.2
71.04986	0.9
71.95287	4.3
72.08157	1.8
72.96080	0.9
73.01421	0.7
73.02932	3.6
74.97602	1.2
75.01028	1.1
75.01913	0.7
76.01784	0.8
77.00842	1.5
77.03936	0.8
79.05497	8.6
79.51102	0.8
80.05011	2.4
81.03447	3.2
81.05804	3.6
81.07057	1.4
82.01461	0.9
82.02704	0.8
82.06587	2.3
83.00785	1.1
83.04974	1.4
84.02435	1.6
84.04504	1.9
84.08135	1.6
84.96041	2.9
85.01429	2.0
85.02904	6.0
85.06571	0.8
88.51585	0.8
88.99167	0.6
89.00796	2.9
89.02577	0.8
90.01540	0.9
91.05482	2.2
92.04982	0.8
92.05820	0.7
93.03402	3.0
93.05830	0.7
94.06545	3.3
95.04964	2.7
95.07327	1.3
96.01545	0.9
96.04502	1.4
96.05321	1.3
96.08147	6.3
97.02913	4.5
97.06543	1.0
97.99178	1.1
98.01266	1.6
98.51463	0.9
98.97596	30.0
99.77611	0.8
100.02505	2.8
100.11245	3.5
101.00879	3.5
102.02225	1.0
102.28351	0.7
102.53144	1.1
103.02461	3.5
105.02089	1.0
105.04554	1.0
106.06570	8.3
107.04951	2.3
107.08640	0.8
108.04444	1.5
108.08130	3.9
109.00483	0.7
109.05178	2.3
109.53719	0.8
110.01296	1.5
110.02329	0.9
110.03522	11.4
110.06044	1.8
110.09678	1.8
110.51511	0.7
110.53579	0.9
110.97581	20.1
111.02921	1.3
111.04466	3.8
111.53644	1.4
112.07641	1.0
112.99140	0.7
113.00868	1.0
115.01348	1.0
115.02415	1.2
116.04898	0.6
116.98631	12.9
117.02100	1.3
117.04018	1.3
118.03545	1.3
119.00195	0.8
119.01900	5.2
119.04906	1.1
119.51974	0.9
120.03249	0.7
121.03523	1.4
122.06112	0.7
123.06823	2.0
124.01865	1.3
124.07603	16.4
124.95431	0.8
125.05983	2.3
126.57568	0.7
127.02435	0.8
128.02238	1.1
128.04568	3.0
128.97675	1.5
128.98625	26.5
128.99574	1.4
129.03151	1.1
129.03960	4.3
129.34984	0.7
131.00204	0.9
131.01903	2.5
133.03511	1.4
134.06029	100.0
134.99661	3.1
135.03044	13.5
135.04407	2.2
135.06407	1.3
136.01445	2.7
137.02895	0.8
137.04768	1.0
137.05972	1.9
138.06290	1.2
140.00203	1.0
142.03497	0.7
143.01901	0.8
146.48872	0.8
146.99667	14.3
147.01393	9.5
147.03224	1.1
147.05057	9.8
148.05122	0.8
152.00380	0.8
152.01723	2.1
152.05693	65.2
152.07022	30.0
152.10693	9.8
152.11790	0.8
153.04099	22.3
153.13817	0.8
154.02428	3.1
158.01385	1.1
158.99683	3.5
159.03276	1.8
161.01244	0.8
161.03035	1.0
165.00795	1.2
165.06195	1.4
170.03038	3.4
170.06602	0.8
171.05168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.03942	0.4
54.01083	0.4
54.48611	0.4
55.05510	0.6
56.96575	0.8
58.51448	0.4
62.21554	0.4
65.03946	88.4
66.04289	0.8
67.05503	1.0
69.07066	0.6
70.66964	0.5
70.67279	0.9
70.91808	0.5
70.94247	0.7
75.33704	0.4
79.05474	0.8
81.03414	0.7
81.07048	0.8
83.05009	0.6
93.03412	100.0
93.07008	0.5
94.03753	0.9
95.04982	1.0
97.06525	1.2
107.04986	0.6
107.08607	0.7
109.06467	0.6
109.10167	0.5
110.03668	13.8
111.04448	93.2
112.04824	1.1
121.06517	0.6
125.05999	58.9
126.06371	0.6
134.06033	1.9
153.05473	18.8
153.09102	0.9
153.12753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01878	1.8
55.02114	0.3
55.05511	4.6
56.96565	2.5
57.03447	2.2
57.07087	0.5
58.11075	0.2
59.05005	0.7
62.78590	0.2
65.03944	7.4
65.52570	0.3
66.04247	0.3
66.54573	0.2
67.05507	7.5
68.05042	0.3
68.96326	0.4
68.99802	0.6
69.03433	2.8
69.07075	3.6
70.06592	0.8
70.94267	1.8
70.95876	1.0
71.01373	0.4
71.04993	1.5
71.95257	0.5
74.97605	0.3
79.05492	13.8
80.05026	0.4
81.03422	3.6
81.07059	16.4
82.07412	0.3
83.04982	4.9
83.08624	1.0
84.04519	0.4
85.02905	0.5
85.06522	0.3
88.95297	0.5
91.04963	0.5
91.05487	6.5
93.03402	3.5
93.07048	10.1
94.04182	0.4
94.06573	0.7
95.04971	100.0
95.08607	1.6
96.05296	1.4
96.08138	1.0
97.02900	0.7
97.06525	3.5
105.04546	0.3
105.07030	2.0
107.04967	3.4
107.08598	14.8
108.08121	0.9
108.08881	0.4
109.06520	41.5
109.10156	2.8
110.03680	1.3
110.06091	0.3
110.06871	0.7
110.09669	0.4
111.04453	9.3
111.08081	9.8
111.96884	1.1
112.08439	0.4
115.05450	0.5
117.07014	1.2
118.01022	0.3
119.06054	0.4
121.02911	0.4
121.06512	0.5
123.08108	0.5
125.02378	0.4
125.06002	4.2
125.09644	2.1
126.09195	1.3
127.04105	0.6
129.97890	0.7
130.52515	0.4
130.96397	0.3
133.04147	0.9
135.04428	1.0
135.08052	4.8
135.11678	2.1
136.04680	0.7
136.07510	0.7
138.03108	0.7
138.06802	0.4
142.04610	1.0
148.70236	0.3
148.97380	0.5
153.01889	3.1
153.05498	4.2
153.07397	0.4
153.09114	6.2
153.10213	0.4
153.12720	2.5
154.05014	0.8
154.08627	0.8
154.12262	1.7
158.82472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03945	2.3
55.01882	2.6
55.05511	9.3
56.96574	4.6
57.03438	2.9
57.07086	2.0
57.88882	0.7
59.05001	3.2
64.29490	0.7
65.03949	65.5
66.04294	1.2
67.05514	16.8
69.03441	4.0
69.07076	13.1
70.06596	0.9
70.94260	2.9
71.04991	2.7
71.55770	1.2
71.94097	1.0
71.95277	1.2
72.96504	0.8
73.06548	0.9
75.04497	1.4
79.05498	15.2
81.03431	1.5
81.07066	20.8
82.04185	1.0
83.04996	12.4
83.08625	4.3
85.02934	0.7
91.05492	13.0
93.03417	56.2
93.07057	67.8
94.07320	0.8
95.04989	10.6
95.08618	55.9
96.08164	1.4
97.06548	23.2
105.04525	0.9
105.07050	4.3
107.04971	2.5
107.08607	100.0
108.08939	1.6
109.06535	4.6
109.09455	1.5
109.10175	21.9
110.03681	10.9
111.04456	75.8
111.08079	5.7
111.96855	1.3
112.04800	1.7
119.06094	0.9
119.08578	1.1
121.02887	26.9
121.03818	1.3
121.06528	2.7
122.07373	0.8
125.06007	38.3
125.09639	1.7
126.09145	0.9
129.97897	1.0
134.06047	0.9
135.04414	1.2
135.08083	2.1
135.11713	41.1
138.03105	1.6
138.06783	2.0
139.00737	0.7
153.01869	2.7
153.05492	15.8
153.06732	1.0
153.09132	6.4
153.12769	28.7
153.13809	1.3
154.12297	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	153.1275
Annotation	p-Mentha-3,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03947	2.4
55.01881	4.3
55.05517	9.9
56.96572	16.2
57.03436	3.7
59.04992	2.0
65.03951	65.4
67.05514	9.7
68.99784	1.1
69.03434	6.5
69.07080	9.9
69.86339	4.4
70.06586	3.3
70.49727	0.8
70.94272	7.7
70.95859	2.0
71.04996	2.6
71.94096	2.7
71.95271	3.5
73.06550	1.0
75.04478	1.8
79.05500	13.6
81.03407	3.9
81.07070	12.7
82.04183	1.2
83.04546	1.3
83.04995	12.4
83.08627	2.4
84.04536	0.8
85.02909	1.7
88.95313	2.3
91.05482	7.8
93.03419	42.0
93.07056	23.8
94.06603	1.6
94.69195	0.8
95.04977	11.5
95.08619	20.0
96.08142	3.6
97.02915	1.5
97.06544	15.9
98.97601	1.5
105.04516	0.9
105.07034	2.8
107.04970	6.9
107.08609	32.9
108.04513	0.8
108.08116	2.2
108.08880	0.8
109.06550	5.5
109.10167	13.9
110.03673	12.1
110.97598	1.0
111.04457	100.0
111.08079	5.9
111.96855	5.4
112.04755	1.2
112.96711	1.0
116.98692	1.2
117.07041	0.8
119.06128	1.0
121.02883	46.5
121.06528	1.9
123.04440	1.3
124.06356	0.9
125.02406	1.7
125.06013	39.1
125.09653	2.8
126.05537	1.0
126.09175	3.2
128.98610	1.2
129.97957	2.3
131.00226	1.5
134.06049	1.5
135.04469	3.0
135.06450	1.2
135.08066	3.8
135.11719	17.5
136.03931	0.9
136.07599	2.0
138.03134	3.8
138.06779	1.0
153.01868	8.0
153.05496	26.9
153.06725	2.3
153.09129	7.5
153.10187	1.9
153.12770	14.0
153.13948	1.8
154.05026	2.1
154.08646	2.0
154.12308	7.0
157.10411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.45896	1.3
53.03938	6.3
55.01869	5.7
55.05511	23.3
56.96569	10.3
57.03423	5.6
57.07070	4.6
59.05010	9.3
65.03944	70.4
67.01849	1.8
67.05505	21.2
69.03432	9.5
69.07072	30.6
70.06602	1.7
70.94265	11.0
70.95875	4.2
71.04995	30.8
71.54767	1.5
71.55161	2.4
71.94109	3.2
71.95254	5.9
72.08144	1.6
73.06554	18.6
73.92959	1.4
75.04456	1.4
79.05498	48.2
81.03411	4.9
81.07060	100.0
82.07398	1.8
83.04980	16.7
83.08620	5.8
84.43784	1.6
85.02914	2.6
85.06539	2.9
88.95299	3.5
88.96880	2.0
91.05492	18.6
93.03405	48.3
93.03978	3.2
93.07050	65.3
94.06577	4.3
95.04977	19.8
95.08597	18.3
96.08134	4.9
97.02899	2.2
97.06528	26.4
104.24101	1.6
105.04504	1.8
105.07032	5.7
107.04966	9.7
107.08603	65.7
108.04474	1.9
108.08131	4.8
109.06513	9.7
109.10158	23.5
110.03649	13.6
111.04449	97.7
111.08084	14.8
111.96905	8.5
112.04767	1.8
117.07036	2.2
119.01816	2.2
119.06081	1.7
119.08563	3.4
121.06480	2.3
125.02377	2.4
125.05998	43.0
125.09617	2.3
126.09148	5.6
129.97935	3.6
130.96291	1.7
134.05998	2.5
135.04436	4.2
135.08070	7.4
135.11696	33.0
136.07578	2.4
138.03123	5.6
146.84431	1.4
152.06151	1.7
153.01857	9.0
153.05490	25.1
153.06583	2.8
153.09143	13.9
153.10194	2.8
153.12741	23.6
154.04927	2.9
154.08614	3.4
154.12230	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00312	2.4
53.03944	5.6
54.27084	1.6
55.01868	3.7
55.05519	24.2
56.96568	9.5
57.03432	3.6
57.07084	2.0
59.05017	8.2
59.61912	1.7
65.03951	54.5
67.05508	17.8
68.05022	1.9
68.99790	1.8
69.03428	9.4
69.06736	1.6
69.07082	26.8
70.06610	2.9
70.94258	9.3
70.95872	3.0
71.05001	31.3
71.55238	2.0
71.94099	1.9
71.95267	5.7
73.06560	19.4
79.05508	37.7
81.03436	3.4
81.07067	100.0
82.04215	1.9
82.07397	1.9
83.04991	12.8
83.08626	3.7
88.95303	4.7
91.05492	17.7
93.02832	2.3
93.03412	43.7
93.07056	55.7
94.06619	2.1
95.04977	18.5
95.08616	19.3
96.08138	5.0
97.06538	24.7
105.07013	5.3
107.04996	9.2
107.08604	57.2
108.08112	4.9
108.30892	1.7
109.06527	7.1
109.10176	23.6
110.03689	12.5
111.04456	77.4
111.08076	16.1
111.96865	5.5
117.07008	2.2
119.06072	2.0
119.08616	2.9
121.02817	1.7
121.06490	2.8
125.06010	38.3
125.09653	4.2
126.09129	3.4
129.97917	3.5
134.05957	1.7
135.04408	5.1
135.08051	6.3
135.11713	28.1
136.07635	3.0
138.03136	3.4
138.06773	2.0
145.52513	1.6
153.01845	7.3
153.05496	24.1
153.07401	2.8
153.09135	11.6
153.12756	24.1
154.05014	4.4
154.08670	3.6
154.12274	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	153.1276
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03944	2.7
55.01873	2.3
55.05267	1.0
55.05517	15.7
56.96572	4.7
57.03448	6.1
57.07072	2.5
59.05013	1.2
60.85175	0.8
64.85859	0.8
65.03948	8.9
67.05511	37.4
69.03433	4.0
69.07075	55.5
70.06591	1.8
70.07412	1.5
70.93501	1.5
70.94274	4.7
70.95873	1.7
71.04997	4.0
71.94102	3.3
71.95271	10.9
79.05498	30.4
80.05829	0.9
81.03395	1.0
81.07063	41.4
83.04980	7.4
83.08627	6.7
85.06550	2.1
88.95289	1.2
91.05487	7.1
93.03410	5.3
93.07052	52.1
95.04984	4.5
95.08620	20.7
96.01578	0.8
96.08154	2.0
97.02937	1.0
97.06540	25.4
105.04556	0.9
105.07037	2.5
107.04969	3.5
107.08604	53.9
108.08135	1.6
108.08910	0.8
109.06541	1.9
109.10167	41.3
110.03678	1.5
111.04485	10.3
111.08096	8.4
111.96871	2.4
112.96714	2.0
125.06007	7.1
125.09653	0.9
126.06326	2.5
126.09165	2.8
129.97902	1.5
131.00150	0.8
133.10132	1.5
135.08099	1.7
135.11703	100.0
136.03894	0.9
136.07587	1.3
136.12000	2.2
138.03172	1.4
138.05058	1.2
138.17270	1.0
153.01871	3.1
153.05521	7.6
153.07478	5.2
153.09117	3.0
153.12759	82.6
154.05003	2.4
154.08737	1.0
154.12115	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03935	5.8
55.01873	2.6
55.05519	19.7
55.28959	1.8
56.96572	11.3
57.03426	2.9
57.07086	3.2
58.30076	2.0
59.04996	8.3
65.03949	17.4
67.05515	13.0
69.00607	1.8
69.03413	5.8
69.07077	17.1
70.79002	5.2
70.94256	6.6
70.95846	3.7
71.05003	32.5
73.06560	23.6
79.05504	36.4
81.03403	3.3
81.07066	100.0
83.04976	8.1
85.02935	2.1
86.86869	2.1
89.88120	1.9
91.05505	11.7
93.03423	17.3
93.07052	47.8
95.04979	7.2
95.08613	11.3
96.08152	2.9
97.02904	2.0
97.06557	13.3
98.97594	2.8
105.07063	4.0
107.04961	7.2
107.08607	50.1
109.06534	4.0
109.10186	19.0
110.03658	5.3
111.04444	21.3
111.08086	7.4
111.96867	3.1
119.08604	2.6
125.05995	13.1
125.09615	2.2
130.96341	2.1
135.04414	3.6
135.08089	2.6
135.11708	28.9
136.35719	1.8
138.03139	4.2
153.01962	1.8
153.05493	14.7
153.07452	2.3
153.08994	2.7
153.12773	16.4
153.99347	1.9
154.08577	2.1
154.12277	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03930	5.5
55.05309	1.5
55.05514	16.1
56.96550	3.4
59.04987	6.0
62.31223	1.6
65.03936	5.5
67.05495	5.8
69.03414	3.0
69.07079	11.7
70.06586	2.1
70.35050	6.6
70.94252	2.0
71.04996	30.4
73.06559	20.4
79.05497	25.6
81.07059	100.0
83.04955	2.6
83.08621	2.3
91.05471	12.2
93.03380	5.3
93.07047	38.2
95.04964	7.5
95.08593	6.7
97.06525	7.2
98.20823	2.5
105.07022	2.9
107.04917	1.7
107.08597	33.8
108.43082	1.6
109.06506	4.3
109.10152	5.5
110.03621	2.0
111.04440	4.2
111.08068	5.2
119.08486	1.7
119.13570	1.4
125.05981	3.9
126.09126	2.3
135.08031	1.9
135.11684	24.3
137.48160	1.7
153.05461	2.7
153.07680	1.5
153.09087	3.4
153.12764	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	153.1275
Annotation	Junionone
Peak:m/z	Relative Intensity
50.07067	1.4
53.03944	5.4
53.16271	1.4
55.01855	3.8
55.05269	2.5
55.05516	35.4
56.96558	3.9
57.03436	5.3
57.07069	5.5
59.05004	24.4
59.79044	1.4
65.03949	25.9
67.01900	1.8
67.05511	35.5
68.99790	4.0
69.03429	7.0
69.07073	95.0
69.49592	2.7
69.49992	8.5
70.06600	1.6
70.94246	3.9
71.04984	6.3
71.94070	1.5
71.95264	1.9
73.06543	2.5
79.05501	22.3
81.07067	55.8
83.04987	14.3
83.08636	9.1
85.06548	6.1
91.05485	13.7
93.03411	24.8
93.07053	63.6
95.04970	9.4
95.08618	67.2
96.08138	2.6
97.02888	1.4
97.06538	39.6
105.07024	4.2
107.04936	4.3
107.08604	74.5
109.06528	4.1
109.10166	100.0
110.03654	4.6
111.04456	29.8
111.08081	8.7
111.11726	6.5
119.08598	2.6
123.11728	4.8
125.05994	18.5
125.09573	2.0
126.09145	2.4
135.08090	1.9
135.11694	38.4
136.07555	1.7
138.03130	2.0
153.01843	25.0
153.05467	8.5
153.06694	2.4
153.09128	4.0
153.12756	87.3
154.08714	1.7
154.12169	1.9
173.40543	1.4
173.42192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	0.3
53.03941	1.3
55.01878	1.6
55.05513	7.1
56.05031	0.6
56.96568	3.9
57.03426	1.1
57.07068	0.4
58.06601	14.5
59.04990	1.2
65.03606	0.6
65.03944	9.2
67.05514	4.3
68.05024	2.4
68.99798	0.7
69.03427	2.5
69.07069	3.4
69.86714	1.3
70.06599	1.9
70.07407	0.4
70.94252	2.4
70.95858	0.8
70.98107	0.3
71.04996	4.4
71.94109	0.4
71.95264	1.2
72.08144	0.5
73.06560	2.6
79.05058	0.6
79.05492	7.9
80.05028	2.7
81.03409	2.3
81.07061	13.7
82.06577	2.5
82.07362	0.6
83.04984	3.3
83.08612	2.3
84.04506	0.6
84.08163	0.6
85.02903	0.9
85.06532	0.5
88.95293	0.9
90.01529	0.5
91.05488	3.2
93.03410	5.7
93.05807	2.2
93.07042	7.4
94.06562	2.3
95.04967	7.2
95.07339	1.2
95.08601	2.2
96.08131	6.6
97.02887	0.7
97.06538	3.6
98.06079	0.4
98.09668	0.5
98.97585	1.2
100.04005	0.3
105.07034	0.6
106.06567	0.5
107.04957	2.9
107.07381	2.9
107.08589	7.9
108.04511	0.5
108.05671	0.5
108.08122	27.6
109.06505	2.6
109.08459	0.5
109.10160	2.4
110.03658	1.9
110.09683	100.0
110.97611	0.3
111.04439	11.4
111.08084	2.5
111.09997	2.0
111.96870	1.4
112.07661	0.4
116.98630	0.5
117.07008	0.6
119.01756	0.4
120.08076	0.5
121.02885	1.9
121.08930	0.6
125.02351	0.7
125.05997	5.7
125.09619	1.0
125.11629	0.4
126.05424	0.4
126.09156	2.6
129.12820	0.4
129.97934	0.8
134.09650	0.5
135.04436	1.6
135.06660	0.6
135.08020	1.6
135.11700	3.0
136.07587	6.7
136.08553	0.5
136.11217	19.0
138.03133	0.9
148.97395	0.8
153.01843	2.4
153.05461	4.7
153.06564	0.5
153.09145	2.3
153.11131	1.1
153.12744	2.4
153.13887	6.1
154.05005	0.7
154.08626	2.3
154.12222	2.0
161.01270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64219	0.7
53.03937	1.0
54.93835	1.4
55.01867	2.8
55.05515	4.3
55.93510	2.2
56.96294	1.3
56.96567	22.0
57.03436	2.1
57.07090	0.7
58.06602	0.8
58.99871	4.4
61.02922	0.8
65.03929	1.5
67.05505	3.1
68.05050	0.8
69.03423	3.5
69.95857	1.0
69.96183	11.0
70.06590	2.1
70.95866	13.2
70.98125	3.1
70.99849	2.2
71.04984	1.1
71.94102	5.0
72.08163	1.5
72.93793	19.8
73.02901	1.8
73.06551	1.0
77.00896	1.6
81.01073	0.8
81.03423	1.7
81.04530	1.2
81.07067	1.4
82.01460	1.7
82.99835	1.4
83.04977	3.8
83.06107	2.8
84.01560	0.9
84.04510	1.1
84.08134	1.3
84.96028	0.8
85.01407	1.8
85.02907	2.1
85.06503	0.9
85.07654	0.8
86.06065	0.9
88.96903	2.1
89.00853	0.8
89.24088	0.7
90.94820	3.4
91.05512	0.9
92.03465	0.7
93.04530	3.3
94.99831	1.7
95.01366	0.8
95.04963	3.0
95.06109	2.2
97.02893	2.4
97.08445	0.7
98.09720	3.5
98.20744	1.8
98.97557	4.5
99.04424	1.9
100.02474	4.3
101.00882	20.1
103.02435	3.4
105.00377	1.0
109.02881	2.1
109.06542	1.5
109.10173	1.1
110.01288	1.0
110.07169	27.2
110.97575	1.7
111.02036	0.8
111.04436	4.3
111.08154	0.8
111.98502	3.9
112.01591	1.0
112.07643	1.2
113.00875	31.6
113.05979	1.5
113.95148	1.6
113.96426	6.7
114.00942	4.8
114.04007	2.1
115.00640	1.0
115.02446	2.8
116.98625	1.5
118.03537	1.2
118.92097	1.0
119.01924	42.6
119.97312	1.7
123.04424	1.6
124.02435	1.1
125.02357	0.7
127.03914	4.2
127.07553	1.5
128.97871	2.4
129.05536	0.7
129.99509	1.9
131.01912	100.0
131.95142	1.8
131.96153	34.4
131.97418	2.6
131.99652	0.7
132.01962	13.0
132.05019	7.8
132.95828	15.0
133.01671	2.8
133.03455	9.6
136.93129	2.9
137.03017	6.0
137.05972	1.2
137.98407	1.9
140.04626	2.0
142.03485	4.6
145.03491	3.5
146.99542	1.0
149.02962	14.1
149.97206	34.2
150.03096	2.3
150.06140	2.2
150.96893	20.1
151.04530	2.4
154.03502	1.9
154.90733	4.9
154.94180	3.6
155.00166	1.4
155.01907	11.1
155.03517	5.0
155.04579	1.2
155.07037	5.2
155.08119	1.0
155.11790	3.2
155.97458	1.3
156.05133	1.3
156.06488	1.1
156.07690	2.1
156.10220	0.8
158.99666	1.0
160.04614	1.3
161.02950	0.9
163.42818	0.8
167.98257	1.2
169.91559	0.7
172.95213	3.8
172.98819	1.4
173.01392	1.6
173.02948	11.5
173.06558	0.8
173.98511	1.7
174.06149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05490	1.1
56.05027	0.8
56.96576	3.9
57.03432	2.0
58.99865	3.2
67.05506	0.9
68.05016	0.7
69.03420	1.8
69.96161	1.6
70.06604	1.5
70.95850	1.0
70.98153	0.8
70.99866	3.3
71.54493	1.0
71.54833	0.7
71.94072	1.0
72.08152	2.1
72.93803	4.2
73.02922	1.7
77.00912	1.3
78.52963	1.7
82.01456	11.1
82.06576	0.7
82.99851	2.9
83.05015	0.9
83.06111	2.8
84.04504	3.7
84.08141	1.0
85.01435	2.0
85.02914	2.3
86.06061	1.4
86.99335	0.8
89.00890	0.9
89.94325	0.6
93.04565	1.4
94.99835	1.6
95.04968	1.4
95.06103	2.2
96.04507	0.6
98.09689	0.9
98.97571	1.0
100.02488	24.7
101.00888	32.9
102.00947	0.9
103.02459	2.9
109.07709	0.5
109.08514	0.8
110.07172	22.9
111.02907	1.2
111.04464	0.9
113.00882	28.3
113.18398	0.7
113.96407	1.6
114.00932	1.5
114.04026	3.0
115.02457	2.9
118.03531	8.0
119.01930	63.6
121.03474	1.2
122.53768	0.9
123.04108	1.2
124.02481	3.1
127.03923	0.8
131.01918	100.0
131.96150	4.2
132.01944	5.5
132.05075	5.4
132.95862	1.4
133.01634	0.6
133.02530	1.2
133.03473	10.1
135.03185	0.7
137.02966	11.1
137.03972	0.4
138.09157	1.3
142.03514	22.5
145.03485	2.3
147.03287	0.7
149.01158	0.8
149.02963	13.3
149.97185	4.2
150.06116	1.8
150.96915	0.9
151.04517	2.6
154.03494	2.4
155.01903	9.3
155.03189	1.1
155.07071	0.8
155.11789	0.9
156.04214	2.3
156.07716	1.9
156.10193	1.3
157.03529	0.6
160.03403	0.8
160.04556	4.7
173.02988	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	155.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69474	0.8
50.88995	0.8
53.03945	2.6
55.01624	1.0
55.01868	4.2
55.05263	1.3
55.05518	20.8
55.93530	4.1
56.05031	1.9
56.96570	50.9
57.03432	4.5
57.29115	0.8
58.06605	0.9
58.99867	3.4
61.02917	2.7
61.54509	0.8
65.03952	3.2
67.05516	5.7
68.05054	1.0
68.91603	0.8
68.99805	1.5
69.03440	10.3
69.96182	15.9
70.06595	4.6
70.13290	3.5
70.95875	25.8
70.98122	2.6
70.99850	2.1
71.04991	2.4
71.06919	1.2
71.93021	1.8
71.94110	6.2
71.95286	1.2
72.08150	3.3
72.93798	42.6
73.02930	5.9
73.06557	11.7
77.00916	1.8
79.05493	1.9
81.03431	6.4
81.07050	4.3
82.99863	1.5
83.02601	1.9
83.04988	7.9
83.06109	3.0
84.04491	1.8
84.08154	2.7
84.96025	1.1
85.01405	1.8
85.02918	7.7
85.06525	1.5
87.04477	1.3
88.96895	6.4
89.00834	2.2
90.94834	8.7
91.05477	2.5
93.03419	1.6
93.04568	2.0
95.04973	7.4
95.06106	2.3
95.08606	2.5
96.04504	1.2
97.02921	6.0
98.01306	1.4
98.09689	5.1
98.97592	34.0
98.98313	1.4
98.98499	1.6
99.04455	4.0
100.02496	2.7
101.00891	14.7
102.03366	2.0
103.02454	2.8
104.01306	1.4
104.01952	0.9
105.00399	1.3
108.03374	1.2
108.95915	1.2
109.02898	6.8
109.06540	2.9
109.08468	1.1
109.10148	1.9
110.01296	3.2
110.02399	1.1
110.03088	1.2
110.06026	2.5
110.07178	26.7
110.09665	2.0
110.96851	1.7
110.97585	4.6
111.03857	1.0
111.04473	7.6
111.08087	1.2
111.98496	9.9
112.01604	3.6
112.07590	1.4
112.99132	1.5
113.00874	27.5
113.06001	4.8
113.95126	2.7
113.96411	13.6
114.00971	3.0
114.04066	1.3
115.02447	1.9
116.98640	11.4
118.92077	1.1
119.01926	38.3
119.03652	2.5
119.97338	5.7
120.02111	1.1
121.01630	1.3
121.03486	0.9
123.04491	4.3
125.03625	1.5
127.03923	12.1
127.07565	3.4
127.08587	1.0
128.02330	2.2
128.97844	6.0
128.98656	2.8
129.02278	3.2
129.99519	3.5
131.01920	100.0
131.96167	36.3
131.97420	6.3
131.99680	1.1
132.01904	6.4
132.04976	5.7
132.95840	34.0
133.03474	7.0
134.99660	2.1
136.93123	3.6
137.02974	4.7
137.05983	2.3
137.08029	1.3
137.98384	2.5
138.09145	1.3
140.04706	3.6
142.03549	1.7
143.00136	1.4
143.01909	1.2
144.05177	0.9
145.01740	1.2
145.03499	2.1
146.04190	1.6
146.99724	1.7
147.03265	7.9
149.01187	1.4
149.02968	15.4
149.06746	1.0
149.97211	52.3
150.03053	2.1
150.06084	1.8
150.96901	46.2
151.04562	1.4
154.90793	5.7
154.94177	4.9
154.97729	1.4
155.00243	1.3
155.00690	1.4
155.01926	10.7
155.03438	6.4
155.04597	16.3
155.07050	13.1
155.10628	1.2
155.11737	2.1
155.54906	1.8
155.97473	2.2
156.05219	1.0
156.06494	1.5
156.07715	2.1
156.10242	2.2
157.03546	1.4
158.99654	12.9
164.05211	1.8
165.04318	5.6
167.12784	0.9
167.98259	2.7
172.95271	7.3
173.01292	2.9
173.03008	13.0
173.98506	2.7
174.06157	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17415	0.7
52.99927	0.7
53.03940	2.1
53.19485	0.7
55.01876	2.0
55.05511	10.1
56.05843	0.7
56.96568	32.4
57.03432	1.9
57.07083	6.5
65.03950	1.8
67.05508	14.7
69.03426	3.3
69.07079	7.8
69.49249	0.7
69.50456	2.9
69.50883	2.4
69.96171	1.1
70.95870	5.5
70.98109	1.0
71.01355	21.3
71.04989	2.4
71.94112	0.9
71.95264	3.1
72.08143	1.0
72.31506	0.8
72.93791	100.0
75.24884	0.8
79.05502	1.9
81.01039	1.9
81.03428	1.5
81.07055	8.7
83.04981	8.5
83.08620	1.7
84.96024	0.8
85.02909	1.7
85.06546	2.4
85.10172	2.0
88.96901	1.6
90.01566	5.0
90.94827	26.7
91.05490	1.4
93.03374	0.8
93.07040	0.8
95.04975	7.9
95.08605	5.7
96.08126	0.9
97.02341	1.0
97.06542	1.8
97.99218	1.9
98.09692	9.6
98.97588	1.9
98.98487	2.7
99.02063	2.5
99.04462	3.2
100.94386	0.9
101.52336	1.0
103.02377	1.0
103.91309	0.7
108.95869	3.4
109.02859	1.8
109.06524	3.3
109.08474	1.1
109.10164	6.6
110.02393	0.9
110.06073	1.3
111.04453	7.3
111.08079	1.9
111.98483	2.6
112.32951	0.8
113.06016	5.7
113.96408	54.8
116.00246	0.8
116.98622	0.9
118.04679	1.2
123.04449	2.9
127.03911	3.6
127.05220	1.4
127.07547	3.0
128.97823	1.0
131.96188	3.7
131.97443	32.1
132.04375	2.0
132.06235	2.0
132.95844	6.9
135.13795	0.8
137.05956	1.1
137.09619	1.6
138.05508	0.8
139.00748	2.1
140.04707	1.1
143.00114	1.8
149.97185	4.6
150.96890	9.4
153.06995	1.4
154.99060	3.3
155.03416	2.7
155.04645	1.0
155.05933	1.2
155.07039	14.1
155.08551	8.0
155.10558	4.7
155.12631	1.5
155.14337	0.8
156.06699	1.7
156.08092	4.8
156.10191	1.1
156.13861	2.1
157.01743	13.5
159.03294	1.9
161.01236	3.3
173.98511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03951	1.4
55.01879	2.7
55.05518	21.0
56.05040	0.8
56.96574	3.4
57.03440	3.6
57.07072	2.8
59.05005	2.6
65.03953	2.8
67.05511	100.0
68.05838	1.1
69.03439	2.1
69.07071	3.1
69.96180	0.9
70.06606	1.0
70.64868	1.3
70.65244	1.2
70.95889	1.1
71.01373	1.4
71.05000	4.5
71.94109	1.0
71.95273	2.4
72.08142	1.1
72.93797	56.0
73.02905	0.9
79.05485	4.2
81.03436	2.3
81.07065	15.5
81.07526	1.0
82.06581	1.0
83.04985	4.9
83.08632	4.7
85.02915	1.1
85.06567	2.9
85.61586	0.6
90.94832	17.3
91.05489	6.3
93.07060	3.6
93.34925	0.7
95.04987	5.3
95.08604	6.9
96.04526	1.1
96.08159	0.8
97.06522	0.8
98.09699	11.2
98.97606	0.9
98.98486	3.1
99.04488	2.7
99.08097	1.0
107.08620	1.6
108.95871	3.4
109.02922	0.8
109.06535	1.9
109.10172	19.6
110.06055	0.9
110.09697	1.0
111.04461	4.1
111.08081	4.2
111.98498	0.7
112.01038	1.6
113.06040	2.8
113.96412	30.7
119.08619	1.8
121.01578	1.7
123.04487	1.3
127.03938	3.1
127.07596	1.9
127.09550	0.8
128.07033	0.7
130.01050	0.7
131.96199	2.5
131.97447	19.9
132.95871	0.9
137.02365	1.1
137.06039	1.2
137.09689	1.7
138.05547	1.0
149.97221	4.3
150.96951	2.4
154.99059	4.2
155.03470	2.2
155.07086	8.5
155.08517	2.4
155.10651	1.0
155.12657	2.5
156.06602	1.5
156.10213	1.3
156.13829	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	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01862	3.3
55.05511	8.4
55.93518	2.2
56.96336	0.7
56.96571	7.6
57.03432	2.8
57.07081	41.3
60.95849	1.0
62.06006	0.7
65.03946	3.9
67.05177	0.9
67.05510	15.4
68.05022	1.0
68.99799	0.8
69.03435	4.5
69.07066	2.8
69.96181	2.3
70.06593	1.6
70.82704	2.2
70.95872	10.7
71.01366	1.0
71.04984	3.5
71.94093	1.4
72.08146	1.1
72.93794	100.0
73.02911	1.7
79.05483	2.8
81.03404	2.7
81.07061	10.7
83.04981	10.7
83.08608	0.9
84.04516	1.1
84.08105	0.8
85.02909	1.6
85.06546	6.6
88.96906	1.7
90.94272	1.9
90.94831	27.4
91.05489	4.4
93.03408	1.3
93.07037	2.5
95.04982	13.2
95.08608	5.1
96.08152	1.0
97.06510	2.7
97.08447	0.8
98.09701	14.2
98.98482	2.5
99.04444	4.5
108.95856	2.9
109.02883	2.4
109.06519	8.9
109.10158	8.2
109.66455	0.8
111.04452	9.7
111.08084	3.0
111.98467	5.2
112.01598	1.6
113.06003	7.0
113.96412	54.7
123.04435	4.8
125.02328	1.7
127.03935	5.8
127.04775	0.7
127.06612	1.0
127.07536	3.3
128.07059	1.2
129.05466	1.2
129.99503	2.3
131.01901	1.3
131.95209	1.2
131.96167	7.0
131.97427	34.4
132.95844	14.4
132.97568	0.8
137.02380	1.4
137.05977	3.4
137.09608	2.4
138.05542	1.2
138.09187	1.0
140.04715	4.0
149.97234	8.6
150.96899	24.5
154.90765	1.3
154.99060	3.0
155.03435	6.6
155.07056	20.2
155.08488	3.4
155.12633	1.7
155.14227	1.1
155.97411	1.3
156.06554	1.6
156.10262	1.2
156.13826	3.0
173.98534	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	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.0
57.13720	1.3
65.90995	1.4
74.09724	22.6
83.06089	3.5
93.04507	2.0
95.06090	1.5
96.96923	3.6
98.09684	1.9
98.21496	3.4
110.07177	33.3
112.05280	7.3
123.94916	1.4
125.40631	1.3
130.06319	21.1
130.07799	1.2
132.02039	3.7
133.01627	2.3
133.03474	2.1
134.24927	1.4
141.31564	1.2
145.00415	1.2
156.04228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
55.05511	1.4
56.05051	0.7
56.06485	0.5
56.96563	2.7
57.03444	1.6
58.99870	1.4
63.83827	0.5
67.01878	0.8
68.05029	2.0
69.03439	1.0
69.40987	2.9
69.41403	1.2
70.06599	1.4
70.95869	1.7
70.99870	1.0
72.08161	4.4
72.93799	1.5
73.02940	1.0
74.09730	1.3
77.00902	0.9
78.52972	1.8
82.01445	4.3
82.01847	0.5
82.05335	1.8
82.06598	1.5
82.99847	4.4
83.01519	1.0
83.06113	8.2
84.04494	0.8
85.01414	1.9
85.02922	3.3
86.06103	0.7
86.52698	0.7
89.00901	0.7
92.52704	1.1
93.04553	5.7
94.06572	0.7
95.01339	1.1
95.06100	5.1
96.01536	0.7
96.04536	0.7
97.02898	0.6
98.09699	7.8
100.02490	7.0
101.00889	47.4
101.02611	2.1
101.53251	1.0
102.00986	1.8
103.00617	0.6
103.02450	3.8
109.02856	0.6
110.07175	85.1
110.09678	3.1
111.02012	0.5
111.05562	1.2
111.07563	0.6
111.98456	1.0
113.00906	1.8
114.01019	1.9
114.04042	0.9
115.00640	1.6
115.02425	4.4
118.03532	2.4
119.01932	100.0
120.02013	4.5
121.03545	0.8
124.02470	6.3
128.07100	0.7
130.06316	1.3
131.01921	1.9
132.02000	6.2
132.05034	1.2
132.95822	2.9
133.01750	3.4
133.03484	15.6
137.02965	18.4
138.03020	1.4
138.05527	0.7
138.09155	2.5
142.03511	45.0
143.03650	1.3
147.03638	0.6
150.03110	1.2
150.96877	3.3
151.04550	4.4
156.04044	3.2
156.05225	1.3
156.06590	0.9
156.07715	6.4
156.10201	3.4
156.13847	1.4
157.03526	0.9
160.04581	8.0
165.05099	1.0
171.42599	0.6
174.03221	1.1
174.06154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1021
Annotation	Arecoline
Peak:m/z	Relative Intensity
53.03931	2.1
55.01859	2.1
55.05513	21.9
55.93520	3.1
56.00015	0.7
56.05027	3.4
56.96565	4.7
57.03426	2.2
59.04994	0.8
60.04519	2.2
61.44019	0.8
65.03940	0.8
67.05507	5.4
68.05032	2.1
69.03419	3.1
69.07073	5.5
70.06584	4.9
70.95866	54.7
71.04647	1.1
71.05005	12.3
71.05366	1.7
72.08151	5.2
72.93790	37.5
73.02885	0.9
73.93825	1.6
74.93819	3.1
79.05495	16.4
81.05802	0.9
81.07064	1.9
82.02928	2.2
82.06567	2.5
83.04991	1.6
84.04475	1.7
85.02896	1.7
85.06545	65.9
86.05588	1.2
86.06071	16.7
86.09700	3.4
87.04464	2.2
88.96902	9.6
90.94827	8.3
91.05518	0.9
93.07063	4.3
94.06548	1.8
95.04947	1.2
95.07330	1.1
95.08601	3.9
96.04492	4.0
96.05190	0.8
96.08132	9.3
97.02882	0.8
97.05305	1.9
97.06529	3.6
98.06062	1.0
98.09696	32.1
100.07597	1.7
102.05502	1.0
106.06561	33.3
107.06915	0.9
110.06033	6.0
110.07159	2.0
110.09693	6.4
110.10344	1.2
111.04462	1.5
111.08089	3.8
111.54969	0.9
111.98480	21.0
113.96400	3.8
114.94791	1.0
114.96500	0.7
115.96455	2.9
121.06500	1.2
124.07596	100.0
125.07942	1.1
126.09141	5.4
128.07054	2.9
128.10689	1.5
129.99516	5.8
131.97490	0.9
132.95839	64.5
133.97539	1.0
138.05518	2.0
138.09140	12.9
139.07529	2.0
150.96889	81.2
155.97435	5.4
156.04057	1.1
156.06564	2.9
156.10205	32.8
156.13834	11.3
168.98003	1.5
173.98494	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	159.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05514	1.5
56.96571	20.4
57.03442	46.4
57.07080	100.0
59.05018	1.1
61.02925	5.1
66.99167	0.7
67.05524	1.8
69.03431	0.8
70.06601	0.9
71.05013	1.1
71.54533	0.6
71.95283	3.6
72.04568	0.8
73.26514	0.6
76.92934	1.3
76.93365	8.2
81.03432	1.1
81.07095	2.1
83.04989	1.5
84.96059	1.0
85.02907	2.1
85.06548	41.9
87.00848	1.1
87.04488	2.2
91.05502	3.3
94.94440	2.0
95.08646	0.8
96.08158	0.9
97.80208	0.6
98.06039	0.6
98.97591	64.5
99.97917	4.4
103.05481	8.8
103.07588	27.1
105.07058	2.0
113.02396	4.5
113.06015	0.8
114.09180	4.9
115.05506	1.4
116.06260	1.1
116.98630	40.9
117.01933	1.3
117.05735	0.7
117.07067	3.3
117.95988	7.9
117.98996	4.3
118.06556	0.8
118.96820	1.5
119.01979	0.9
119.08659	0.9
126.00808	0.8
128.10748	0.9
129.07060	2.0
131.04953	8.0
131.08592	7.2
132.05592	0.8
132.08167	1.1
134.99670	20.4
135.97073	3.4
136.00079	2.3
140.00241	1.7
141.01828	12.8
141.14728	0.8
144.05804	1.4
144.09438	2.6
145.58617	1.0
149.06055	2.6
152.49471	0.7
153.00777	1.6
159.03094	1.6
159.04526	3.0
159.06900	1.3
159.08238	3.7
159.10225	23.4
159.11768	9.9
159.15787	3.5
160.05099	4.5
160.07599	1.2
160.09740	2.2
160.13393	1.0
177.00705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03941	1.5
55.05524	0.7
56.96561	2.1
62.56009	0.7
67.05497	6.9
69.34929	6.8
70.43536	0.7
76.93320	0.9
79.05506	11.4
81.07068	8.6
87.00838	14.6
88.31971	0.7
91.05487	24.7
93.07037	3.0
95.04945	1.4
98.97592	8.3
103.05463	3.4
105.07034	24.0
113.02367	1.0
114.09184	1.8
115.05446	5.2
116.06237	3.3
116.98637	2.6
117.01869	12.8
117.07027	63.6
118.07803	2.4
119.08597	2.8
129.07021	8.4
130.07814	5.7
130.19852	0.8
131.04942	2.7
131.08580	84.0
132.08923	2.3
141.01851	2.4
142.07722	0.8
144.09372	7.5
157.10127	4.3
159.02979	2.0
159.04384	1.3
159.11707	100.0
160.11995	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	159.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05521	1.6
56.96572	9.3
57.03440	1.6
57.07069	0.7
59.93126	0.8
62.54370	0.5
65.03926	0.8
67.05516	4.6
69.03442	0.6
70.06601	1.5
70.98132	1.4
71.04987	1.0
71.55579	0.7
76.62582	0.6
76.92883	4.4
76.93380	6.7
79.05513	2.3
81.03426	1.2
81.07079	1.9
83.05011	1.0
85.02909	1.5
91.05492	19.8
93.07051	1.3
94.94426	1.7
96.08157	3.7
97.02335	0.5
98.97603	6.5
99.09970	0.7
99.97955	1.9
103.05473	2.8
104.06261	0.5
105.07042	20.8
109.07915	0.6
113.02396	2.5
113.07992	0.8
113.66530	0.5
114.05556	1.0
114.09175	9.9
115.05469	5.6
116.06263	3.9
116.98650	5.8
117.07031	36.2
117.96001	6.2
117.99011	1.5
118.96817	0.7
119.08593	11.0
119.09335	0.4
128.06245	1.8
128.10753	1.8
129.07019	20.8
130.07809	19.0
131.04921	1.9
131.08582	86.8
132.08038	1.0
132.08955	2.6
134.99680	2.0
135.97034	3.0
136.00029	1.2
141.01840	9.7
142.07765	1.8
142.08650	2.5
143.08511	1.9
144.05684	2.1
144.09364	22.4
145.09737	0.6
157.10184	3.9
159.04446	0.6
159.06583	1.3
159.08072	5.8
159.11705	100.0
159.15715	2.8
160.09709	5.3
160.12013	2.2
160.13361	2.3
163.03932	1.5
164.04208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.76796	0.5
52.09853	0.5
52.20119	0.4
55.05504	0.8
56.96551	1.6
57.07056	0.6
64.38534	0.5
65.03937	0.6
67.05508	3.5
67.63024	0.5
69.03432	0.8
70.06575	0.9
71.55757	0.6
71.95222	0.6
76.92859	2.8
76.93353	2.1
79.05490	2.3
81.07047	2.0
84.67115	0.6
85.02902	0.6
88.04005	0.5
91.05489	13.8
93.07047	1.3
94.94404	0.7
96.08128	2.4
98.97581	1.8
105.07043	20.2
111.22093	0.5
113.02374	2.2
113.08012	0.6
114.05553	0.7
114.09178	7.9
115.05447	3.5
116.06235	2.1
116.98608	1.2
117.07026	37.2
117.95988	2.3
119.08589	7.3
128.06198	1.3
128.10707	1.2
129.07027	13.6
130.07806	10.3
131.08582	66.0
132.08925	1.1
134.99706	0.8
136.00038	0.5
141.01836	5.4
142.07796	1.0
142.08659	2.5
143.08562	1.2
144.09357	18.0
157.10143	4.7
159.08112	9.0
159.11703	100.0
159.15810	2.2
160.09727	4.7
160.12006	2.5
160.13249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21800	0.2
51.12733	0.2
56.59263	0.2
56.85442	0.2
56.94555	0.2
58.99885	0.2
69.51667	0.7
69.52093	0.5
69.84028	0.2
77.84640	0.2
82.99846	4.2
83.99898	0.2
98.97585	0.4
101.00886	41.9
102.00946	1.8
102.64340	0.2
102.96901	0.2
103.00665	0.2
104.77523	0.2
110.03175	0.2
111.00427	0.2
119.01925	100.0
120.02010	4.2
121.02371	0.5
124.02475	0.4
133.03526	0.4
137.02962	19.6
138.03081	0.8
142.03517	1.3
143.01913	0.3
143.03656	1.6
144.03275	0.3
161.02954	4.2
161.04359	0.4
162.03047	0.2
179.04015	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	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16510	0.7
56.96574	1.4
60.95139	3.0
70.68098	2.0
78.66151	0.8
82.99857	3.4
84.08150	1.4
91.41228	0.8
98.97581	0.8
101.00894	41.9
101.97758	2.4
102.00951	1.6
114.61410	0.9
119.01934	100.0
119.98820	6.8
120.02018	3.8
134.70058	0.9
137.02980	18.3
137.99835	3.9
142.03513	1.6
143.03496	1.1
156.97495	2.0
161.02965	4.6
161.04436	0.7
169.34544	0.9
179.04001	4.5
179.99080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.2
57.03436	0.6
58.99849	0.3
60.95836	0.7
61.02925	0.4
69.03448	1.0
70.38291	0.4
70.99855	0.2
71.95261	0.3
72.08161	0.4
73.02905	0.7
81.03423	0.5
82.99848	3.4
83.99914	0.2
84.04504	0.9
84.08170	1.4
84.96019	0.3
85.02904	0.9
87.99543	0.2
97.02898	1.0
98.03144	0.3
98.97592	2.4
100.02493	0.3
100.97179	0.6
101.00885	35.4
101.95020	0.4
102.00965	1.7
102.96870	0.7
103.00610	0.3
105.07006	0.8
110.97546	0.5
113.00852	0.2
113.02385	0.3
115.00620	3.1
115.02423	0.5
116.98642	1.0
119.01924	100.0
119.73466	0.2
119.98777	0.2
120.01985	3.6
120.97887	0.7
121.01665	0.6
121.02439	0.2
121.03425	0.2
121.52936	0.3
124.02506	0.4
131.01909	0.3
132.97861	0.2
133.01672	0.6
133.03482	0.8
133.06427	0.2
133.10156	0.3
137.02965	21.1
138.03047	1.0
142.03487	1.2
143.01930	1.1
143.03619	1.4
144.03224	0.3
144.10132	0.3
145.03386	0.2
151.04593	0.3
157.03419	0.4
161.02977	5.1
161.04427	0.4
161.05850	0.3
161.09549	0.2
161.13434	0.2
177.04305	0.3
179.02458	0.5
179.04007	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02388	0.7
53.03948	2.7
55.01880	4.2
55.05513	1.6
56.96574	1.9
57.40430	0.4
65.03937	0.6
66.04720	1.6
67.05517	0.6
69.03458	0.9
69.07079	1.0
71.05917	0.7
77.03938	1.1
78.93146	0.5
79.05499	20.5
81.03412	0.5
81.07053	1.3
84.04509	0.5
84.08156	0.4
85.02920	0.6
89.03924	1.1
90.04701	3.6
91.05487	8.6
92.02652	0.7
93.07039	0.8
95.04982	3.5
98.97602	0.7
101.00882	0.7
101.95038	1.2
102.04670	0.8
103.05476	26.5
105.03412	2.0
105.04545	1.3
105.07038	100.0
106.07386	1.6
106.95216	0.4
107.04957	1.3
115.05464	30.3
115.09517	1.2
116.05757	0.6
116.98608	0.6
117.07042	2.0
118.04168	18.2
118.06540	0.5
119.01882	2.5
119.08588	12.7
119.95975	0.4
121.06503	0.8
121.10188	0.6
128.06227	1.2
131.04932	4.6
131.08578	1.2
132.05670	1.4
133.02840	0.9
133.06500	44.9
133.10139	8.1
134.06830	1.1
138.04562	0.4
143.03484	0.5
143.04951	0.9
143.06047	5.3
143.08603	1.2
146.03613	2.6
146.07298	1.2
161.05991	22.2
161.09618	8.9
161.13263	6.8
162.05498	1.5
162.09129	0.8
171.00839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66599	0.4
53.03956	0.6
55.01874	0.7
55.05503	1.2
65.03910	0.5
67.05521	2.6
69.03436	8.4
69.07059	1.3
70.87164	0.6
70.87492	1.0
79.05506	4.2
79.12257	0.4
81.07068	4.2
85.67593	0.4
91.05491	15.7
93.07051	5.2
95.08602	1.7
95.54182	0.4
103.05489	1.8
105.03365	0.5
105.07043	48.9
105.63472	0.4
106.07354	1.3
107.04982	1.7
107.08605	0.9
115.05458	1.9
115.09470	0.8
117.07030	2.9
118.04154	0.5
119.04954	0.8
119.08593	18.2
121.06513	14.6
128.06232	7.7
131.04892	2.6
131.08595	2.8
132.05708	1.3
133.06500	3.1
133.10144	28.8
141.06996	0.8
143.08569	9.5
145.06506	2.5
146.07285	24.1
155.06055	0.7
159.08080	1.5
161.05978	1.6
161.09636	100.0
161.13271	15.8
162.05495	0.7
162.10025	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	161.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01860	0.9
55.05515	0.4
56.96558	1.1
67.05495	0.6
69.03439	7.3
79.05495	2.3
81.07066	0.6
84.04549	0.3
91.05495	5.1
93.07050	1.1
95.04976	0.4
101.95028	0.7
103.05496	1.7
103.71342	0.3
105.03400	1.3
105.07045	17.4
107.04893	0.3
111.58511	0.3
115.05459	2.8
115.09539	0.6
116.06208	0.4
117.07006	1.8
118.04172	0.6
118.07822	0.4
119.04923	0.6
119.08604	4.2
119.95802	0.3
121.06498	1.3
128.06233	4.8
130.90352	0.3
131.04935	1.3
131.08603	1.4
132.05733	1.7
133.02892	0.7
133.06509	4.1
133.07458	0.5
133.10138	5.9
137.56197	0.3
137.96884	0.5
138.05170	0.3
143.04979	0.3
143.06134	0.3
143.08586	7.6
145.06502	3.7
146.07285	4.5
155.06036	0.4
159.08069	4.7
161.02342	0.7
161.06071	3.4
161.09637	100.0
161.13232	3.0
162.10089	2.1
176.25244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03950	1.5
55.01875	1.6
55.05519	6.2
56.96575	2.4
57.03441	0.4
65.03951	0.9
66.04736	0.4
66.75848	0.3
67.05526	0.5
69.03426	0.4
69.07085	3.9
71.12376	0.8
77.03893	0.5
78.93150	0.6
79.05501	9.6
79.78065	0.3
81.03433	0.5
81.07056	1.6
83.05014	0.4
84.04524	0.9
84.08141	0.9
88.85039	0.4
90.04716	0.9
91.05488	11.8
92.02565	0.4
93.07050	2.5
95.04987	1.5
97.01096	0.4
97.02894	0.5
97.08484	0.4
98.97603	1.1
101.00887	0.6
101.95052	1.9
102.04642	0.3
103.04000	0.4
103.05480	9.6
104.06261	0.8
105.03420	0.8
105.07042	50.2
106.06631	0.4
106.07356	0.9
107.08597	1.3
113.02368	0.6
115.02207	0.4
115.05461	10.7
115.09526	0.7
116.98649	0.4
117.07027	3.7
118.04179	6.4
118.98241	0.5
119.01928	2.0
119.08594	100.0
119.95794	0.5
120.04457	0.4
120.08157	0.6
120.08826	1.6
120.97784	0.4
121.06460	0.4
121.10165	4.0
128.06236	1.1
131.04936	1.4
131.08580	3.3
132.05772	0.4
133.06514	14.2
133.07532	0.7
133.10147	26.9
134.05995	0.6
134.10498	0.5
137.02954	0.5
137.96988	0.4
143.01863	0.4
143.04968	0.5
143.06050	1.4
143.08604	1.6
145.10101	0.5
146.03606	1.7
146.07243	1.1
146.10924	1.7
159.11702	1.1
161.03059	0.6
161.06006	10.5
161.07188	1.0
161.09599	7.5
161.10724	0.8
161.13274	22.3
162.05484	1.3
162.09113	1.1
176.09447	0.3
183.78705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91307	1.8
53.03941	5.2
55.01887	1.9
55.92291	1.8
56.05047	2.6
56.96571	25.5
57.03439	3.6
58.06603	2.5
58.99583	4.6
60.95847	6.6
61.01140	1.8
61.02921	3.2
67.05503	2.5
69.03426	4.2
69.07076	53.7
70.06578	2.3
70.07389	2.2
70.69370	3.9
70.69749	2.7
74.06108	2.7
79.05496	7.4
81.03417	5.4
84.04517	21.9
85.02901	7.2
85.08511	1.7
89.03925	9.0
91.05463	1.9
95.04975	2.9
97.02886	7.8
98.97595	100.0
99.97895	3.0
102.00982	4.1
102.09109	2.0
102.96878	33.5
103.03909	2.4
103.05455	5.4
105.07027	3.2
106.06563	3.9
107.04967	5.2
115.00724	3.6
116.07102	6.9
116.98628	33.8
117.00296	1.9
117.03381	6.4
118.06569	2.5
119.01837	8.7
119.46116	2.0
119.51983	1.9
120.02012	16.3
120.08109	5.7
120.96524	4.9
120.97913	23.0
121.00822	3.9
121.01650	5.6
121.96613	2.8
128.02315	8.7
128.52516	1.9
130.04994	3.3
131.04919	9.5
132.08102	2.6
133.02824	3.3
133.07605	1.8
134.06017	3.9
134.51874	1.7
134.99673	4.7
135.04433	18.1
137.02878	3.4
138.03058	4.2
138.98940	6.2
139.01787	4.5
139.53157	2.4
140.00328	2.6
143.99590	2.0
144.08049	2.3
145.02852	8.2
153.04878	3.9
157.03539	2.0
158.99680	44.1
159.99998	2.1
161.54904	2.2
162.04243	3.4
162.05440	22.9
162.07881	2.9
162.09122	15.6
162.11272	2.5
163.01816	3.4
163.03941	25.9
163.05182	3.0
163.07486	3.0
163.08656	5.1
171.05968	4.3
173.56265	2.7
177.00739	34.2
179.05927	2.2
181.02945	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	162.0548
Annotation	5-Hydroxyindole-3-carbaldehyde
Peak:m/z	Relative Intensity
53.03942	4.8
55.01861	2.1
55.05501	2.9
56.05029	3.4
56.96569	23.6
57.03423	3.3
60.14821	1.3
60.95850	3.7
61.02932	1.8
61.92844	1.8
62.45779	1.3
65.03959	1.8
67.05519	2.9
69.03435	6.0
69.07074	9.4
70.06582	1.7
71.54076	2.0
73.02949	1.5
74.06078	3.7
79.05501	15.7
80.05016	1.7
81.03426	4.5
81.07071	2.1
84.04510	14.6
84.08139	2.7
85.02893	6.7
85.08433	1.3
89.03926	15.0
90.71590	1.2
91.05472	3.3
92.02620	1.5
93.03402	1.7
93.07038	3.0
95.04974	6.3
97.02908	3.8
98.97590	17.7
100.02425	1.2
101.00839	1.3
101.97275	1.4
102.00951	3.4
102.05548	1.6
102.09167	3.0
102.96874	22.2
103.05471	3.8
105.04538	2.9
105.07014	2.8
106.06573	21.1
106.07345	3.7
107.04974	9.2
114.55782	2.2
115.02411	1.9
116.04974	12.2
116.07085	4.3
116.98634	8.9
117.03378	9.5
117.05743	1.5
117.06996	2.9
118.06559	4.0
119.01884	4.6
119.03551	1.8
120.02023	15.7
120.04439	2.6
120.08127	7.9
120.96517	4.4
120.97915	18.1
121.00791	5.4
121.01682	4.8
121.96622	1.7
123.08048	1.7
123.56306	3.5
127.03893	1.3
127.54761	2.1
128.02396	2.0
128.04927	1.7
130.03716	3.5
130.05029	1.3
131.04906	2.6
132.08087	2.8
133.02840	9.1
133.05228	2.9
134.06029	36.2
134.09648	3.5
134.99675	1.6
135.04422	25.2
135.07994	2.0
135.11537	1.1
136.55261	11.4
137.05354	2.7
138.03088	6.0
138.98952	11.9
139.01796	8.4
139.02733	1.8
139.04187	4.2
139.05267	1.6
144.02382	1.4
144.03381	1.9
144.04446	22.0
144.05539	1.2
144.06554	1.6
145.02843	6.6
145.03856	1.6
145.05008	2.0
148.06120	2.2
152.10715	3.5
155.01855	1.2
156.96246	1.8
158.99667	6.1
161.04880	3.4
162.05510	100.0
162.09100	21.6
162.11288	3.2
162.12617	1.6
163.01793	3.8
163.03911	45.3
163.05995	2.5
163.07498	3.0
163.08691	2.6
163.11070	1.7
163.12346	2.3
171.05920	1.4
177.00702	4.6
179.05870	1.6
181.02858	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	162.0762
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
55.05510	0.6
56.05038	18.5
56.96574	0.3
57.03436	0.5
69.03429	0.4
70.97020	0.3
70.97338	0.3
71.04996	0.4
72.08151	0.2
73.06548	0.5
84.04510	100.0
84.08147	0.4
85.02901	2.1
85.04846	0.6
85.06550	0.3
85.36024	0.2
87.52052	0.2
90.05649	0.3
95.01331	0.4
97.02885	0.3
98.06059	0.7
99.04439	1.6
100.13530	0.2
102.00974	0.5
102.05556	1.9
102.09196	1.3
103.00671	0.3
103.03935	0.5
113.02348	0.4
115.70486	0.2
116.07099	31.9
117.07406	0.3
120.02006	1.1
121.01662	0.3
130.05014	13.5
131.08133	0.3
134.03592	0.4
135.04372	0.3
144.06522	0.5
145.04979	4.2
157.03445	0.9
161.88257	0.2
162.05542	0.3
162.07613	2.3
162.09003	0.4
162.11263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0762
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
55.01871	0.9
55.05511	0.6
56.05038	17.1
56.96568	3.9
57.03440	2.1
59.05007	0.4
60.95849	0.4
61.02925	0.7
69.03439	1.4
69.95467	0.2
70.06592	1.3
70.89993	0.5
70.90321	0.4
71.01349	0.6
71.05003	0.6
72.08132	0.3
73.02914	1.0
81.03391	0.6
81.07061	0.5
81.12018	0.2
83.08637	0.5
83.99901	0.4
84.04508	100.0
84.99626	0.3
85.02901	3.2
85.04838	0.7
85.06548	0.5
88.69437	0.3
95.01318	0.6
97.02905	2.2
98.03171	0.4
98.06070	0.5
98.09689	0.3
98.97590	1.7
99.04456	1.1
101.00891	1.4
102.00954	6.9
102.05546	2.0
102.09222	0.5
102.96873	2.1
103.00636	2.6
106.90926	0.3
110.97633	0.3
111.51857	0.3
113.00865	0.3
113.02374	0.3
113.03533	0.3
115.02477	0.4
115.03960	0.3
116.07100	31.7
119.01932	4.3
120.02016	17.8
120.08099	0.3
120.97948	0.9
121.01677	6.4
125.00272	0.3
125.01748	0.3
126.09171	0.3
127.03941	0.4
130.05008	12.5
131.03726	0.5
133.03455	0.6
134.03569	0.7
135.03235	0.8
137.02951	0.7
137.55032	0.3
138.03061	3.7
138.76666	0.3
139.02707	1.2
144.02220	0.4
144.03300	1.1
144.06575	0.3
144.10262	0.3
145.04977	4.4
147.05092	0.5
148.05159	0.5
149.04796	0.5
157.03461	1.9
160.05186	0.3
162.03101	1.0
162.04356	0.7
162.07658	2.1
163.02744	0.5
163.03986	0.4
168.99236	1.1
180.04178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03945	2.3
55.01890	0.5
63.02378	2.4
70.34956	1.1
77.03925	0.9
79.05504	11.0
86.95575	0.5
89.03927	83.3
90.04256	1.4
91.05473	1.3
95.04990	3.3
98.01709	0.6
103.05488	1.3
104.08328	0.6
105.04494	1.1
107.04963	16.7
107.08627	0.8
110.29798	0.6
117.03392	70.2
118.03712	1.3
131.04956	1.8
133.02911	1.0
135.04431	100.0
136.04803	1.8
145.02863	46.4
145.03874	1.9
146.03203	1.3
154.88545	0.6
163.03925	81.4
164.04268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03946	2.6
56.18643	0.7
63.02377	2.2
67.05505	0.7
77.03939	0.8
79.05493	12.6
89.03920	83.2
90.04247	1.4
93.07051	1.6
95.04971	2.0
98.20705	1.2
105.04521	0.7
107.04960	13.3
107.08590	1.4
117.03383	73.1
117.07031	0.8
118.03767	1.5
121.10104	0.7
135.04416	100.0
135.11679	0.7
136.04770	2.4
136.07539	0.8
141.62978	0.5
145.02856	44.2
145.03928	2.7
145.10086	1.0
146.03185	1.2
163.03903	85.9
163.11191	2.4
164.04222	1.8
164.11211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03950	8.9
55.01862	5.2
55.05520	6.3
56.96576	6.1
57.03437	3.2
62.37933	1.1
67.05489	5.6
69.03435	17.7
69.07066	5.5
70.34702	2.9
70.35098	2.5
70.95437	1.2
71.04990	3.7
77.03895	2.6
79.05493	25.9
80.05013	1.3
81.03410	2.4
81.07056	21.9
82.01429	1.5
83.04973	4.9
85.02898	4.5
86.37081	1.3
89.03918	22.9
91.05485	27.9
92.02612	2.4
93.07049	41.3
93.88989	1.1
95.04373	1.3
95.04977	22.8
95.08602	2.4
96.04543	1.3
98.20816	1.3
99.04471	1.6
100.02468	2.9
102.04694	1.9
102.96842	1.5
103.05473	84.3
104.05791	1.5
105.03387	2.8
105.04469	5.8
105.07030	30.7
106.06553	2.3
107.04964	14.4
107.08601	54.1
108.08127	5.0
108.08806	1.3
109.06544	3.6
114.01550	1.2
115.05456	4.5
117.03384	17.2
117.05721	3.2
117.07021	19.4
118.03555	2.6
119.04927	2.1
119.08592	20.1
120.02039	1.4
121.02869	1.3
121.06512	14.2
121.10147	49.4
123.08040	1.9
128.06212	2.1
129.06999	4.0
130.04115	1.6
130.06549	6.6
130.07777	18.6
131.04932	88.3
132.05261	2.4
132.08096	5.1
133.02843	12.8
133.06480	4.3
133.10117	2.3
135.04427	45.4
135.08022	8.7
135.11688	29.2
136.04755	1.5
136.07564	13.5
137.01794	1.4
139.01884	1.8
143.08563	3.8
145.02869	14.0
145.03900	2.3
145.06479	3.6
145.10129	67.2
147.08046	2.9
148.05180	5.2
148.08812	3.9
163.03914	75.8
163.07538	24.4
163.11182	100.0
163.12294	4.5
164.04294	1.9
164.07071	3.3
179.50935	1.2
181.02818	2.6
182.08151	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02381	1.5
53.03949	7.0
55.01859	2.6
55.05516	5.4
56.96554	2.1
57.03440	1.4
57.07052	1.4
57.33027	0.7
63.02378	1.1
63.15311	0.7
65.03936	1.0
67.05505	1.8
69.03442	6.3
69.07063	2.2
69.97488	4.1
70.01945	0.8
71.04975	1.7
75.46191	0.8
77.03921	2.1
79.05500	19.8
79.52796	0.8
80.05829	0.8
81.03413	3.3
81.07056	5.9
83.04988	2.1
85.02911	4.9
89.03927	32.1
91.05484	21.2
91.05920	0.5
93.07052	34.0
95.04976	17.3
95.08624	1.3
97.02867	0.9
99.04478	7.9
100.02467	2.3
102.96859	1.3
103.04005	8.2
103.05477	95.5
104.05785	1.5
105.03379	2.7
105.04503	4.3
105.07039	21.0
107.04964	18.5
107.08603	65.8
108.08138	0.9
108.08915	1.3
109.02892	1.3
109.06533	3.2
115.05481	2.6
117.02612	1.8
117.03394	24.7
117.07027	11.2
118.03568	1.2
119.04926	1.8
119.06107	1.4
119.08592	12.3
120.05730	0.9
121.06519	6.6
121.09332	1.0
121.10146	20.7
123.08076	1.7
127.03948	4.4
130.06561	2.3
130.07767	4.3
131.04936	100.0
132.05261	2.6
132.08101	2.1
133.02847	10.7
133.06496	2.2
133.10178	1.1
135.04430	48.4
135.08090	4.9
135.11703	54.4
136.04834	1.4
136.07616	4.2
136.11978	1.0
143.08586	1.3
145.02884	17.0
145.03972	1.8
145.06494	3.2
145.10133	16.6
145.98236	0.9
147.08032	1.2
148.05209	2.7
148.08769	1.1
163.03920	76.9
163.07556	26.7
163.11191	56.2
163.12294	2.3
163.14825	2.6
164.04362	1.7
164.07101	2.5
164.11617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02377	1.4
53.03743	0.9
53.03955	11.4
55.01873	1.8
55.05514	8.6
56.96566	1.8
57.07065	2.4
65.03936	1.4
67.05168	1.6
67.05512	24.0
68.02649	1.7
69.03442	1.1
69.07075	10.6
71.12087	1.8
77.03926	3.5
78.61290	1.0
79.05499	55.5
81.03400	3.1
81.07066	36.6
82.01461	1.9
83.08626	4.6
85.02886	1.0
89.03903	1.9
91.05490	16.5
92.02631	3.7
93.07054	56.2
94.07372	1.1
95.04980	15.0
95.08615	36.7
95.09238	1.9
97.10195	2.1
98.14326	0.9
98.97591	1.6
100.02453	5.2
103.05479	2.2
105.03394	6.5
105.04492	6.1
105.07027	6.7
106.06552	1.8
107.04961	3.9
107.08606	50.6
108.08121	3.3
109.06495	1.0
109.10149	3.3
117.03391	1.5
117.07022	1.9
118.03521	3.2
119.08587	3.8
121.06508	2.3
121.10155	66.0
130.06531	3.0
130.07837	1.3
131.04980	1.3
132.08115	3.2
133.01839	1.4
133.02866	28.4
135.04437	29.6
135.08069	3.0
135.11707	8.1
136.07593	7.9
138.03120	1.6
145.06555	1.2
145.10133	5.1
163.03923	100.0
163.07582	2.7
163.11195	15.4
163.12502	1.9
163.14833	42.6
164.04288	2.5
164.07083	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	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	0.6
53.03948	6.4
54.39195	0.7
55.01868	2.3
55.05517	5.2
56.96554	1.8
57.03426	2.8
57.07066	2.9
60.95852	0.8
63.02386	1.4
64.73071	0.6
65.03935	1.5
67.05505	4.2
67.87280	0.6
68.02653	1.1
68.99783	0.8
69.03428	3.1
69.07073	23.6
71.04990	0.8
71.55717	1.0
77.03931	2.6
79.05502	28.0
79.05963	1.4
80.05004	0.7
81.03429	2.1
81.07066	9.8
82.01446	0.6
83.04980	0.8
83.08634	7.7
84.08125	0.7
85.02916	3.2
89.03927	34.5
90.07207	0.7
91.05490	25.9
92.02629	1.7
93.03433	0.8
93.07054	32.7
95.04980	9.9
95.08611	9.7
99.04501	3.6
100.02470	1.7
102.96883	5.1
103.04012	4.0
103.05482	34.7
104.05760	0.7
105.03402	3.0
105.04534	2.6
105.07043	22.5
106.04153	0.8
106.06571	1.0
107.04968	22.1
107.08606	77.0
108.04505	0.9
108.08109	2.1
108.08835	1.2
109.06526	2.1
109.10162	1.9
115.05472	2.7
117.03394	29.3
117.05724	1.0
117.07035	9.3
118.03651	1.2
118.06565	1.1
119.01883	0.9
119.04936	2.7
119.06074	1.1
119.08591	9.8
120.97901	3.2
121.06535	8.0
121.10157	54.7
123.08083	0.9
127.03931	2.3
129.07042	1.4
130.06548	1.8
130.07787	6.3
131.04944	31.2
132.02003	0.8
132.08105	1.9
133.02867	8.2
133.06511	0.7
133.07695	0.8
133.10129	0.8
135.04433	59.0
135.08080	5.5
135.10687	1.2
135.11708	21.0
136.04747	1.2
136.07587	6.3
138.98984	0.8
139.01805	1.0
143.08545	1.8
145.02875	20.5
145.03914	1.0
145.06490	3.1
145.10143	20.6
148.05051	0.8
163.03922	100.0
163.07539	18.9
163.11189	23.5
163.12367	1.5
163.14833	24.5
164.04279	2.7
164.07040	3.1
164.15279	1.2
181.02953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0709
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02400	0.4
53.03954	2.9
53.04156	0.2
55.01870	0.3
55.05525	0.5
56.96593	0.6
57.03470	0.2
65.03973	0.7
67.01879	0.2
67.05527	0.9
68.02673	0.6
68.05049	0.4
69.03454	0.7
69.07078	0.3
69.90754	1.0
77.03956	0.9
78.04751	0.3
79.05501	1.7
80.05037	1.1
80.05860	0.3
80.84124	0.2
81.03442	0.6
81.07060	1.7
82.01476	0.8
83.40771	0.2
89.03932	0.2
90.04272	0.7
91.05492	8.4
91.30264	0.2
92.05802	0.2
93.05807	1.7
93.07058	4.7
94.06595	0.9
94.07354	0.3
95.04982	3.0
95.08607	0.4
96.04520	0.4
96.05299	0.3
100.02493	2.3
101.00909	1.3
103.05532	0.2
104.05820	0.6
105.04539	1.4
105.07047	0.5
107.04979	0.3
107.08618	0.9
108.04503	0.9
108.05296	0.6
108.08134	4.8
108.08866	0.3
109.06541	0.3
118.03568	1.0
118.06535	0.6
119.01936	4.0
119.04950	0.8
119.08610	0.4
121.10182	0.3
122.06046	1.4
122.10557	0.2
123.08101	0.2
126.05534	2.4
132.05269	1.1
136.07591	100.0
137.02943	0.5
137.07936	2.2
140.07066	3.0
142.03503	2.6
146.03197	0.5
147.04440	1.2
160.04550	0.5
164.04346	2.0
164.07074	12.4
164.10570	0.4
164.11705	0.4
164.14368	0.2
165.01756	0.2
165.05417	0.3
165.07352	0.2
165.09142	0.3
172.66650	0.2
182.08217	0.3
183.10867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24322	0.7
60.75204	0.5
60.98632	0.6
66.37617	0.5
70.08694	1.0
70.09084	1.3
77.26427	0.7
82.01453	1.9
82.99844	8.5
97.56486	0.6
98.21514	0.6
100.02477	1.1
101.00891	57.1
102.00961	0.7
104.34524	0.6
111.24468	0.5
119.01934	100.0
120.02045	2.1
124.02464	10.3
137.02966	15.2
142.03514	77.9
143.03653	3.2
146.30125	0.6
160.04568	14.3
165.05063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92680	0.5
56.96566	0.8
57.76948	0.5
58.57142	0.4
70.24766	2.0
82.01467	0.9
82.99848	8.3
85.74199	0.5
91.99242	0.5
95.04980	0.7
97.71780	0.4
98.21383	0.7
100.02490	1.3
101.00892	64.9
102.00990	1.8
111.00414	0.6
119.01933	100.0
120.02016	2.8
123.04423	0.8
124.02461	10.1
137.02974	14.8
142.03514	75.8
143.03635	2.6
149.01776	0.5
160.04572	12.5
165.05124	1.4
177.49420	0.5
182.47186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02378	0.4
53.03942	0.9
54.02450	0.3
55.01869	0.5
55.05508	0.5
56.96568	1.8
57.03431	0.8
61.02894	0.5
65.03940	2.5
67.05499	1.1
69.03432	2.6
69.51001	0.6
69.51408	1.4
77.00595	0.4
77.01389	0.3
77.03924	0.3
77.58257	0.3
78.33477	0.3
79.05485	1.1
80.05019	0.4
81.03408	0.8
81.07063	0.9
82.99841	1.5
83.04977	0.7
85.02881	1.0
91.05484	32.0
92.05815	0.5
93.07050	1.1
95.04983	3.3
95.08610	1.1
98.97588	0.4
100.02503	0.5
101.00881	13.8
102.00950	0.5
103.05497	0.4
105.03393	10.0
105.04454	0.4
105.07043	0.8
107.05006	0.3
107.08629	0.4
109.02876	0.4
109.06534	1.1
109.10131	0.5
110.71368	0.3
111.04431	0.5
119.01926	39.8
119.04944	59.2
119.08593	1.3
120.02042	1.0
120.05274	1.0
120.08107	0.7
121.10152	0.3
122.09672	0.6
123.04440	3.4
123.08078	1.1
124.02479	2.4
124.03296	0.5
128.97824	0.4
133.02843	1.1
137.02971	8.2
137.05925	1.6
137.07915	0.8
137.09602	0.9
138.05492	0.4
142.03506	26.8
143.03654	0.9
147.04413	100.0
148.04742	2.1
149.06000	0.8
160.03339	0.5
160.04567	6.0
165.05496	3.5
165.07603	0.6
165.08997	1.6
165.12721	0.4
166.05020	0.6
166.08636	0.7
171.71889	0.3
182.99669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03956	0.7
53.50826	0.3
54.67918	0.3
54.96478	0.3
55.01872	0.7
55.05511	1.4
56.72412	0.3
56.96570	0.8
57.03437	1.0
61.02935	0.5
65.01346	0.3
65.03938	2.3
67.05507	3.0
68.84354	0.3
69.03429	3.3
69.07053	0.5
69.53810	2.0
69.97462	0.3
71.05000	0.6
78.82037	0.3
79.05514	1.7
81.03414	0.9
81.07059	2.1
82.01477	0.3
82.99860	1.1
83.04998	1.1
85.02915	1.3
85.71078	0.3
91.05488	28.9
92.05833	0.5
93.07056	1.4
94.04172	0.4
95.04977	3.5
95.08611	1.5
98.97572	0.7
100.02489	0.4
101.00893	13.9
101.02539	0.3
103.05488	0.9
105.03417	0.3
105.07029	2.7
107.04934	0.5
107.08602	1.0
109.02861	0.5
109.06529	1.8
109.10164	1.0
111.04428	0.4
111.87605	0.3
116.98607	0.3
117.07008	0.4
119.01933	35.4
119.04951	53.3
119.08567	2.6
120.02031	0.5
120.05302	0.8
120.08073	0.9
121.06487	0.4
121.10142	0.8
122.03663	0.5
122.07199	0.5
123.04436	2.9
123.08088	1.8
123.11691	0.6
124.02466	2.5
133.02855	3.6
133.05475	0.3
133.06403	0.3
137.02983	7.5
137.05960	2.3
137.07928	0.5
137.09636	0.9
142.03510	22.4
142.96686	0.6
143.03659	1.1
147.04420	100.0
147.11696	1.3
148.04790	1.7
160.04561	5.4
165.01837	0.6
165.05472	3.7
165.09148	1.6
165.12785	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01881	0.7
55.05518	1.4
56.96568	1.3
57.03437	1.4
61.02939	0.5
65.03946	2.5
67.05507	3.8
69.03436	3.6
69.07076	0.9
69.72971	0.4
71.55122	0.7
72.46892	0.4
79.05489	2.0
81.03448	2.1
81.07063	4.0
82.99876	0.9
83.04983	1.7
83.08595	0.5
85.02921	0.9
88.14729	0.4
91.05489	29.6
92.05824	0.4
93.07069	2.2
94.04172	0.7
95.04978	5.0
95.08622	3.0
100.02493	0.5
101.00890	12.1
101.02576	0.8
103.05515	0.7
105.03399	0.9
105.04536	0.4
105.07037	2.6
107.04948	0.5
107.08597	2.6
109.02890	0.7
109.06536	3.0
109.10184	0.7
117.07047	0.6
119.01936	28.5
119.04955	54.9
119.08583	4.9
120.02003	0.8
120.05309	0.9
120.08133	0.8
121.06474	0.7
121.10168	0.9
123.04460	2.2
123.08073	3.6
123.11711	2.0
124.02475	1.8
128.97816	0.6
132.05701	0.5
133.02863	3.8
137.02975	6.0
137.06017	2.8
137.07919	0.7
137.09627	1.7
142.03516	19.3
143.03661	0.6
147.04422	100.0
147.08092	1.7
147.11694	1.5
148.04808	2.1
160.04572	4.0
165.01868	0.7
165.05453	4.3
165.07002	1.6
165.09090	2.6
165.12759	7.4
166.08640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01868	0.4
56.96568	1.7
57.03433	0.8
65.03932	1.6
67.05505	1.5
69.03429	1.8
69.07072	0.4
69.36003	2.0
69.36415	0.7
71.05015	0.5
71.36741	0.4
79.05499	1.1
81.03419	1.0
81.07065	1.0
82.99847	1.3
83.04999	1.2
85.02911	1.2
91.05494	28.1
92.01804	0.3
92.05791	0.5
93.07053	0.7
95.04986	2.9
95.08618	1.0
97.02873	0.4
97.47530	0.3
98.97626	0.4
99.04427	0.5
100.02498	0.4
101.00890	13.2
105.03395	3.7
105.07039	1.4
109.02918	0.5
109.06526	1.1
109.10166	0.9
116.98663	0.4
117.07095	0.4
119.01940	34.3
119.04957	53.1
119.08571	2.4
120.02081	0.6
120.05299	0.8
120.08136	0.6
122.07235	0.5
122.09677	0.8
123.04478	3.4
123.08080	1.4
124.02498	2.1
129.05553	0.4
133.02840	0.7
137.02975	7.4
137.05997	2.1
137.07898	0.5
137.09663	0.9
142.03519	22.9
147.04428	100.0
148.04790	2.3
160.04575	5.6
160.46266	0.3
165.05522	3.4
165.07649	0.5
165.09148	1.3
165.12778	0.7
166.05058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1278
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03957	1.9
53.33250	0.8
55.01875	2.3
55.05516	4.2
56.96567	2.6
57.03439	3.7
57.07078	2.8
59.05012	1.2
61.02943	0.9
65.03958	1.2
67.05508	11.2
69.03426	6.3
69.07080	3.6
69.57843	5.4
71.05004	1.6
75.16255	0.7
79.05502	7.7
80.19942	0.8
81.03436	2.6
81.07068	16.9
82.99857	2.2
83.05000	4.4
83.08614	1.4
85.02911	2.3
91.05491	15.2
93.07058	12.7
95.04980	8.6
95.08627	14.3
99.04458	0.9
100.02538	1.6
101.00896	22.1
101.02623	1.0
101.76715	0.9
102.00984	0.9
103.05495	2.0
105.03424	0.9
105.07041	12.6
107.08610	11.0
109.02885	0.8
109.06531	20.3
109.10169	10.5
111.04453	1.1
117.07024	1.0
119.01938	52.0
119.04958	9.3
119.05857	1.1
119.06113	1.1
119.08601	18.3
119.97388	0.9
120.02025	1.8
120.08133	1.5
121.06511	2.0
121.10166	19.7
122.07300	8.7
123.04411	1.1
123.08104	10.4
123.11702	4.1
124.02475	3.5
127.50829	1.3
129.07077	1.0
133.02841	2.1
134.51622	1.7
135.08072	2.8
137.02983	10.2
137.06004	2.9
137.09634	100.0
137.13213	1.7
138.03111	1.0
138.05598	1.0
138.09932	1.8
142.03526	36.9
142.96645	1.1
143.52144	1.1
147.04431	16.4
147.08076	1.7
147.11739	6.8
148.02159	5.5
150.10416	4.6
160.04584	8.3
161.01302	0.7
165.01849	1.7
165.05556	4.4
165.07634	1.3
165.09111	5.4
165.12775	35.2
166.08600	0.9
166.13087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.53311	0.6
52.59879	0.6
53.03963	0.7
55.01885	2.2
55.05513	5.1
56.76955	0.7
56.96572	3.7
57.03438	4.3
57.07077	2.5
64.04586	0.7
65.03937	1.2
67.05511	12.9
69.03435	7.1
69.07085	4.3
70.71624	2.0
71.04997	1.7
71.08635	0.8
73.02924	0.8
77.03943	1.1
79.05502	8.4
81.03435	2.2
81.07060	18.1
81.07526	1.1
82.01403	0.6
82.99860	2.2
83.04993	4.0
83.08626	2.1
85.02901	1.7
91.05481	14.2
93.07047	10.3
94.04225	1.3
95.04975	8.4
95.08609	11.5
96.05760	0.7
100.02494	1.1
101.00890	22.5
101.02589	1.2
103.05490	0.8
105.07029	12.2
107.04977	2.0
107.08601	10.0
109.06524	19.1
109.08473	0.9
109.10162	11.3
113.00804	0.8
117.07032	1.8
119.01928	53.0
119.04935	7.5
119.06091	1.0
119.08579	20.8
119.97317	1.1
120.02053	1.4
120.08134	1.7
121.06507	2.0
121.10145	23.9
122.01262	1.2
122.07302	7.6
122.10395	0.7
123.04398	0.8
123.08088	9.7
123.11715	5.1
124.02432	3.5
129.21442	0.6
131.01819	1.1
133.02863	1.6
135.08060	2.6
137.02975	12.1
137.05981	1.8
137.09622	100.0
137.13255	2.2
138.09959	1.5
142.03513	35.1
143.01962	1.0
143.52188	1.1
147.03253	0.8
147.04413	15.9
147.08046	1.1
147.11697	7.8
148.02199	3.0
150.10391	5.5
160.04578	6.6
165.01881	1.0
165.05550	4.6
165.06802	1.1
165.09108	4.2
165.12758	35.4
166.04958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03947	0.7
55.05512	3.0
56.33940	0.5
56.96560	1.6
57.03442	1.7
61.02924	0.7
65.03932	1.0
65.21149	0.5
67.05528	3.0
67.05830	0.5
69.03437	3.0
69.07071	2.2
70.18626	0.5
71.04986	1.3
71.06105	1.1
77.42168	0.5
78.58321	0.5
79.05493	2.1
81.03419	2.1
81.07053	6.0
82.01479	0.7
82.99856	1.2
83.04984	2.1
83.08636	3.0
85.02889	1.0
85.06522	0.5
85.28066	0.5
86.89119	0.5
91.04963	1.0
91.05481	8.9
93.07044	1.8
95.04975	100.0
95.08598	3.9
96.05313	1.5
97.06519	0.8
99.04445	0.6
101.00887	14.8
101.02614	0.7
102.02213	0.5
105.03416	0.5
105.07047	5.0
107.08603	8.2
109.06526	18.4
109.10149	1.3
119.01930	36.0
119.04946	14.8
119.08593	3.4
119.97332	0.7
120.02039	1.2
121.10158	2.2
122.81096	0.6
123.04424	0.7
123.08064	1.1
123.11707	1.2
124.02424	2.8
128.97827	0.8
131.96046	0.5
133.71327	0.4
134.03912	0.5
137.02968	7.4
137.06047	0.5
137.08005	0.9
137.09618	2.0
137.13300	0.9
142.03503	22.5
147.04420	25.5
147.11693	8.3
160.04565	5.6
165.05367	1.5
165.09109	3.3
165.12762	43.9
166.08780	0.7
166.13139	0.8
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	L-Phenylalanine
Peak:m/z	Relative Intensity
60.64418	0.2
70.77641	0.6
70.78011	0.2
79.05504	1.7
84.30377	0.2
91.05491	1.0
93.07050	2.8
103.05476	11.5
104.05812	0.3
104.13751	0.2
107.04963	2.1
119.01862	0.2
119.07359	0.2
120.08115	100.0
121.08481	1.5
131.04939	2.4
149.06009	0.8
157.01811	0.2
166.08578	0.9
168.19612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02377	0.5
53.03957	3.8
55.01870	0.6
55.05513	0.4
56.96574	1.7
57.03451	0.2
57.45290	0.2
65.03950	0.3
66.04261	0.2
66.04696	0.2
67.05520	0.9
69.03433	0.3
69.07071	0.2
69.78339	1.0
70.03774	0.2
71.05013	0.2
73.02956	0.2
76.51461	0.2
77.03929	1.0
77.04331	0.1
78.04714	1.0
79.05506	1.1
80.05042	0.3
80.94952	0.3
81.03432	0.4
81.07085	0.2
83.04996	0.3
83.93073	0.4
84.08154	0.3
84.96075	0.2
85.26006	0.2
85.94589	0.2
90.76334	0.2
91.05486	1.4
92.05820	1.5
93.03392	0.2
93.07064	0.7
94.06592	0.2
95.04986	4.2
95.08622	0.3
97.02895	0.3
97.06539	0.2
98.97587	0.5
101.00895	0.9
101.04960	0.2
102.00960	1.6
102.79337	0.2
103.00655	0.4
103.05538	0.4
105.03407	100.0
106.03700	1.5
107.04961	0.4
107.08611	0.5
108.04502	0.6
109.02885	0.2
109.06546	0.3
110.06070	0.4
111.08143	0.2
117.04065	0.3
119.01939	2.2
119.04966	0.8
119.97337	1.0
120.02025	4.0
120.05283	2.5
120.08128	4.5
120.08907	0.3
121.01673	1.2
121.02952	0.3
121.06547	0.5
121.10149	0.3
123.04433	1.7
124.05206	0.6
124.07605	0.3
124.99160	0.2
125.02554	0.2
128.97874	0.7
131.01938	0.3
131.48138	0.4
136.07678	0.2
137.02977	0.5
137.98395	0.7
138.03081	1.1
138.05518	0.7
138.09111	0.4
139.02736	0.3
139.07570	0.4
142.03557	0.9
142.96733	0.8
143.00183	0.5
143.02139	0.1
143.02364	0.2
143.03662	3.4
144.03265	0.9
147.04453	0.7
148.04788	5.7
148.07582	2.5
149.02426	0.2
149.06001	8.1
150.06398	0.2
151.03952	0.7
152.04729	0.2
160.04599	0.2
161.01215	0.5
161.04674	1.2
166.04945	1.6
166.06306	0.2
166.08617	2.9
166.12289	0.4
167.03423	0.2
167.05626	0.4
167.07068	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	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03939	0.2
56.96566	1.4
61.16732	0.1
67.05503	0.2
69.82179	0.7
77.03913	0.3
78.04690	0.2
79.05499	1.9
79.05923	0.3
80.05014	0.3
83.93045	0.3
91.05479	1.0
92.05812	0.2
93.07052	2.7
95.04987	0.3
98.21424	0.2
101.00876	0.3
102.00997	0.5
102.02247	0.3
103.05478	11.5
105.06992	0.1
107.04971	2.1
107.08605	0.2
110.96796	0.2
118.06552	0.3
119.01949	0.5
119.97348	1.1
120.02038	1.4
120.08115	100.0
121.01643	0.3
121.08455	1.7
123.04503	0.2
124.99111	0.3
125.02470	0.1
128.97856	1.1
130.56996	0.1
131.04933	2.2
131.48100	0.2
133.98808	0.1
135.92636	0.1
136.07635	0.2
137.02998	0.1
137.98384	0.7
138.03047	0.5
138.09100	0.3
139.07655	0.2
140.48669	0.3
142.96700	0.5
143.00162	0.4
143.03670	1.2
144.03291	0.3
145.14995	0.1
148.07603	0.2
149.05988	0.7
152.04216	0.1
161.04779	0.3
166.05051	0.5
166.08577	1.5
167.03491	0.2
167.07050	0.8
175.25513	0.1
178.81871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02362	0.4
53.03742	0.3
53.03950	3.6
55.01868	2.2
55.05505	1.1
56.96569	1.6
57.03430	0.6
65.03933	1.0
67.05511	1.6
67.05794	0.3
68.99784	0.7
69.03419	1.4
69.07067	0.8
69.64120	1.9
70.06599	10.4
71.04996	0.6
73.02913	0.5
76.87188	0.3
77.03926	1.5
78.04713	3.2
79.05498	14.6
81.03407	1.3
81.07052	4.3
83.04980	1.2
83.08630	0.4
83.44080	0.3
84.08145	0.9
84.96024	0.6
85.02895	0.6
91.05483	13.3
93.07050	20.3
94.07395	0.5
95.04985	4.2
95.08604	0.6
97.02860	0.4
97.06538	1.8
98.20821	0.6
98.97572	0.4
103.00647	1.7
103.05456	1.6
105.03382	1.1
105.04513	1.8
105.07011	0.7
106.03626	2.2
107.04967	2.7
107.08617	2.1
108.02116	0.4
109.02893	0.8
109.06505	1.0
111.04411	0.8
111.08074	0.8
121.01678	3.5
121.02869	7.5
121.03926	0.4
121.04074	0.4
121.06510	12.9
121.08392	0.4
121.10126	1.8
123.04426	6.6
123.08064	0.9
124.05225	2.3
125.05984	0.5
125.09588	0.6
134.03619	0.4
139.02713	1.1
139.03822	0.6
139.07550	2.0
144.03259	2.2
149.02350	0.7
149.05989	7.5
149.09637	0.6
151.03912	0.8
152.04668	0.9
159.10030	0.4
162.04311	0.7
167.07045	100.0
168.07452	1.5
168.13884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0706
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02386	0.3
52.03172	0.4
53.00309	0.3
53.03944	1.4
55.01874	0.6
55.05508	0.6
56.96578	1.3
57.03415	0.3
65.03958	0.5
66.04723	1.0
67.05493	1.1
68.83312	0.2
68.99795	0.4
69.03423	0.5
69.07068	0.5
69.32523	1.1
69.32948	1.1
70.06599	4.3
71.05009	0.3
77.03932	0.6
78.04722	17.7
79.05074	0.4
79.05499	4.2
81.03429	1.0
81.07068	1.4
82.04214	0.4
83.04980	0.7
84.96026	0.3
89.02837	0.2
91.05494	1.5
93.03396	0.9
93.07053	1.1
94.04182	0.8
94.47905	0.2
95.04987	2.4
96.05756	0.7
97.06540	0.7
97.11436	0.2
98.20789	0.5
98.97584	0.3
103.00634	1.1
105.03441	1.4
105.04529	0.5
105.07046	0.3
106.04191	8.2
107.05011	1.9
107.08630	1.6
109.02888	1.2
109.06545	0.7
109.45966	0.2
110.03665	0.4
120.02060	0.5
121.01685	2.5
121.02890	0.8
121.06496	0.4
121.10176	0.8
122.03652	1.8
123.04444	31.4
124.05241	7.8
125.05967	0.2
134.03641	1.6
135.04428	1.1
137.02373	0.5
137.05995	1.3
138.03143	0.5
139.02742	0.4
139.07558	1.0
144.03239	1.3
149.02347	0.7
149.09619	0.7
150.03178	0.5
150.09138	0.6
151.03917	6.1
152.04707	5.5
162.04236	0.3
167.07057	100.0
168.04213	0.4
168.07474	1.9
186.96619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03731	0.4
53.03949	3.0
55.01881	2.4
55.05516	1.7
56.96568	4.1
57.03418	1.0
61.02916	0.4
65.03931	1.0
67.05508	2.5
68.05019	0.4
68.99780	0.7
69.03429	2.2
69.07076	1.7
70.06596	13.4
70.11900	1.5
71.04982	1.0
73.02920	0.5
77.03931	1.0
78.04716	5.9
79.05496	14.6
81.03412	1.4
81.07063	5.7
83.04976	1.0
83.08638	0.4
84.08167	1.5
84.96027	0.8
85.02903	1.4
91.04904	0.5
91.05482	13.5
93.03378	0.9
93.07049	16.0
94.06522	0.4
95.04973	4.0
95.08609	1.1
97.02884	1.1
97.06538	1.7
97.10171	0.3
98.06025	0.4
98.20773	0.4
98.97588	1.7
103.00648	2.4
103.05488	1.7
105.03445	0.5
105.04517	1.2
105.07040	1.4
106.04153	2.4
107.04967	2.8
107.08600	3.6
108.08124	0.4
109.02886	0.9
109.06551	2.5
110.01262	0.5
111.04427	1.4
111.08079	0.7
113.05992	0.3
113.19159	0.3
116.38503	0.3
119.01844	0.5
119.04945	0.6
121.01669	7.3
121.02861	6.3
121.05650	0.7
121.06504	11.6
121.08390	0.4
121.10139	3.1
122.03690	0.4
122.06042	0.3
123.04436	11.7
123.08046	1.3
124.05234	3.4
125.05981	1.2
125.09634	0.8
134.03622	0.4
135.04420	0.5
137.05992	0.4
139.02719	1.9
139.03908	1.4
139.07552	2.6
139.11182	0.4
140.07111	0.4
143.03735	0.3
144.03233	5.2
149.02359	1.8
149.04883	0.4
149.05980	6.5
149.09633	1.3
151.03915	2.0
151.11176	0.8
152.04681	2.1
162.04298	0.9
162.99028	0.4
167.03452	2.7
167.07045	100.0
167.10576	1.9
168.07475	2.3
168.13789	2.0
169.51077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03943	2.7
54.95550	1.1
55.01881	2.7
55.05268	1.9
55.05517	25.3
56.96568	7.1
57.03437	2.2
57.07076	2.2
59.04991	2.3
65.03936	3.2
67.05512	8.6
69.03444	8.4
69.07067	6.8
71.04996	1.8
71.55692	1.2
78.04716	15.3
79.05500	19.6
81.03413	1.7
81.07066	12.4
83.04989	29.8
83.08633	10.7
84.96042	4.4
85.06553	2.4
91.05489	6.6
92.65405	1.0
93.03416	2.0
93.07051	17.7
94.04181	1.4
95.04976	4.9
95.08606	4.3
96.05760	1.2
97.02886	1.7
97.06546	5.2
97.10198	2.5
99.08032	1.1
103.00655	7.0
104.82309	1.0
105.07054	5.6
106.04176	4.7
107.04978	6.9
107.08603	29.7
108.08121	1.6
109.02905	2.4
109.06529	3.5
109.10173	7.9
110.03696	3.7
111.04450	3.3
111.08092	8.7
112.08840	1.9
121.01680	18.2
121.02920	2.0
121.06511	5.3
121.08403	1.2
121.10155	17.2
122.03699	1.7
122.06055	1.2
122.53234	1.1
123.04435	25.5
123.08083	2.6
123.11732	2.4
124.05228	8.6
125.06011	9.8
125.09641	6.0
126.02237	1.6
126.05526	1.7
131.08606	1.7
134.03679	1.7
134.04877	1.3
135.04466	2.2
139.02719	4.6
139.03821	1.2
139.07582	6.6
139.08557	1.8
139.11157	1.6
144.03270	10.0
149.02342	4.2
149.05994	2.0
149.09653	7.7
149.13336	1.9
150.09091	1.4
151.03912	4.8
152.04698	5.8
152.06213	2.3
167.03484	6.7
167.07062	100.0
167.08408	4.0
167.10692	5.3
167.11887	1.7
167.14294	10.3
167.15489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02388	0.9
53.03945	3.4
55.01870	2.1
55.05511	11.1
56.96576	2.9
57.03447	0.8
57.07075	1.8
59.05009	2.4
63.31676	0.6
65.03962	0.9
67.05510	7.8
69.03436	2.9
69.07070	41.2
69.33308	1.9
69.33726	3.5
71.05008	0.9
74.69786	0.7
77.03915	1.0
78.04718	3.4
78.78389	0.8
79.05493	20.8
80.05041	0.7
81.03429	1.0
81.07062	13.4
81.07521	0.9
83.04996	3.4
83.08612	3.5
84.96051	3.3
84.98862	0.6
85.06552	0.7
86.09640	0.7
91.05487	13.0
91.06025	1.2
93.07047	77.9
94.07387	1.4
95.04960	4.1
95.08614	13.0
97.06521	8.8
97.10186	2.0
100.81377	0.7
103.00626	4.5
103.05479	2.3
105.04516	1.9
105.07034	22.0
106.04172	2.0
106.07854	1.1
107.04962	3.6
107.08596	7.2
107.31174	0.6
109.02859	0.6
109.06532	1.9
109.10155	1.9
111.04443	1.4
111.08071	1.5
111.11723	7.2
119.08608	5.0
121.01670	12.6
121.10144	100.0
122.10513	1.9
123.04432	5.9
123.08102	5.1
123.11703	0.8
124.05221	2.2
125.06010	1.1
125.09601	0.9
126.02272	0.7
131.08577	1.1
133.07634	2.3
139.02716	2.0
139.07550	2.7
139.11188	2.9
144.03252	7.6
149.02374	1.5
149.09624	12.9
149.10748	1.0
149.13252	1.4
151.03909	1.1
152.04681	1.2
162.04286	2.4
163.03923	0.7
167.03391	1.4
167.07053	20.7
167.08453	1.5
167.10666	29.4
167.14326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03936	2.9
55.01864	2.6
55.05513	41.7
56.96574	7.2
57.03421	5.0
57.07057	4.8
59.04989	1.6
65.03942	2.1
67.05508	45.9
69.07072	100.0
70.88983	2.8
71.04994	15.3
78.04702	3.6
79.05067	2.2
79.05499	28.5
81.03423	1.5
81.07060	60.4
81.41288	1.3
83.04967	5.5
83.08623	86.6
84.96039	4.1
85.06550	8.5
91.05488	8.2
93.07049	42.1
94.07370	1.9
95.04963	3.4
95.08614	18.0
97.02914	1.6
97.06530	16.1
97.10189	6.9
99.08070	4.8
103.00651	3.6
105.07007	2.3
106.04195	2.8
107.04965	1.6
107.08599	40.7
109.10157	6.9
111.04497	1.5
111.07365	2.0
111.08082	25.1
121.01675	6.1
121.05658	1.7
121.06511	2.8
121.10157	19.0
121.52991	1.1
122.06045	1.8
123.04419	5.5
123.08099	1.5
123.11687	3.8
124.05190	3.7
125.05901	1.7
125.09616	5.0
131.08531	1.3
139.02696	1.9
139.07549	3.2
144.03265	4.6
144.06152	2.5
147.11659	1.2
149.04951	3.6
149.09647	2.8
149.13266	82.3
150.13567	1.7
151.03819	1.5
152.04630	1.3
162.04326	1.4
167.03386	2.7
167.07072	25.1
167.08539	3.6
167.10699	3.0
167.14319	59.5
168.14702	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01863	3.1
55.05518	60.7
56.96572	2.3
57.03426	3.4
57.07073	2.0
59.05019	7.3
65.03938	1.6
67.05515	14.8
69.03432	19.1
69.07064	6.3
71.04996	2.8
71.55781	1.2
74.91334	1.1
77.03938	1.4
78.04726	15.3
79.05064	1.5
79.05504	16.1
81.03417	1.5
81.07062	16.9
82.04175	1.1
83.04991	73.4
83.08630	28.5
84.96040	2.3
85.06560	7.4
91.05490	7.1
93.07059	15.0
95.04965	4.6
95.08614	7.0
96.05778	1.7
97.02859	1.8
97.06532	6.6
97.10184	10.0
103.00651	2.8
103.82396	1.1
105.03400	1.3
105.04499	1.9
105.07046	3.5
106.04187	7.4
107.04970	6.2
107.08612	22.5
109.06507	2.8
109.10175	14.9
111.04459	1.9
111.08105	20.9
112.08865	5.1
113.09650	1.5
121.01694	6.6
121.06500	3.1
121.08438	2.4
121.10162	14.6
122.10397	1.3
123.04446	28.5
123.08107	1.3
123.11730	6.4
124.05247	8.9
125.06013	2.0
125.09628	10.1
134.03613	1.5
135.04405	2.0
138.23404	1.2
139.07555	3.8
144.03250	5.0
149.02382	2.2
149.09676	4.5
149.13310	4.5
151.03943	4.3
152.04701	6.6
152.06133	0.9
167.03368	3.5
167.07065	100.0
167.10695	5.4
167.14336	29.7
168.07430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03928	4.8
55.01860	4.5
55.05515	81.7
56.96555	2.2
57.03421	3.7
57.07061	4.7
59.05000	9.4
65.03928	2.0
67.05170	1.7
67.05509	19.3
69.03436	22.9
69.07070	9.3
69.58253	8.6
71.04972	3.5
78.04713	17.8
79.05498	18.2
81.03411	2.1
81.07062	23.3
83.04985	100.0
83.08626	33.7
84.05318	1.9
84.96036	1.5
85.06544	8.8
91.05496	6.8
92.56942	1.1
93.03391	1.3
93.07053	15.2
94.04161	1.3
95.04959	4.7
95.08611	9.6
96.05765	1.7
97.06541	7.0
97.10171	9.0
98.20742	1.9
99.08094	2.3
103.00644	2.9
105.03419	2.0
105.04527	2.1
105.07024	5.6
105.82367	1.1
106.04191	6.0
107.04947	5.2
107.08605	20.5
109.02866	2.1
109.06528	2.7
109.10168	20.0
110.03669	2.0
111.08083	26.1
112.08855	6.3
113.09631	3.0
119.06046	1.1
121.01673	8.6
121.02915	1.4
121.06534	4.9
121.08440	2.5
121.10143	15.3
122.03629	1.9
123.04430	24.1
123.08093	1.5
123.11729	8.4
124.05248	8.4
125.05981	4.0
125.09624	15.6
131.08583	1.8
134.03662	1.3
139.02704	2.2
139.07503	3.6
139.11266	1.5
144.03217	6.5
149.02409	2.7
149.06015	1.7
149.09619	4.5
149.13283	5.8
150.09160	1.8
151.03888	5.8
152.04697	4.9
162.04323	1.8
163.23491	1.1
167.03386	5.0
167.07047	99.4
167.10706	4.3
167.14330	37.7
167.15775	1.8
168.07504	1.7
182.00958	1.2
186.77731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Kinabalurine C
Peak:m/z	Relative Intensity
53.03951	1.7
55.01878	1.7
55.05516	7.3
56.05035	1.2
56.96574	4.2
57.03438	3.6
57.07076	1.9
59.05024	0.6
60.04547	0.5
65.03944	1.7
67.05511	17.9
67.93581	0.5
68.05046	0.6
68.99798	1.3
69.03435	2.2
69.07076	5.1
69.51623	0.9
69.52037	2.3
70.06597	100.0
71.05013	1.5
71.06944	0.7
79.05065	0.7
79.05495	10.1
80.05025	1.9
80.05822	1.5
81.03429	3.0
81.07063	44.2
82.02996	0.5
82.06586	0.8
82.07402	0.6
82.94891	0.6
83.04966	3.5
83.08643	0.6
84.04518	0.7
84.08148	20.0
84.96016	0.5
85.02901	3.9
85.06550	0.7
86.06059	0.9
87.04461	0.6
90.99204	0.5
91.05489	40.0
92.05820	1.8
93.05782	0.6
93.07054	5.2
94.06556	2.8
94.07391	1.6
95.04966	4.6
95.08610	4.3
96.04482	0.9
96.08158	0.7
97.02924	1.3
97.06538	1.2
98.03660	0.9
98.06063	2.6
98.97582	1.1
99.04475	0.9
100.03986	0.7
102.03389	0.8
105.07039	6.5
107.08598	4.5
108.04489	1.3
108.08140	5.0
109.02898	4.1
109.06540	8.3
109.10169	1.6
111.00814	8.9
111.04491	1.2
112.07607	0.9
114.94033	0.5
121.01649	0.5
121.02929	0.9
121.10127	1.0
122.03201	2.3
122.06032	1.8
122.06859	1.9
122.09669	4.3
122.10423	0.7
123.04460	0.9
123.08035	1.1
123.11715	6.7
124.04733	1.0
125.04725	1.2
126.03147	12.3
126.05536	1.5
131.08545	0.5
133.10144	2.9
138.09193	0.8
139.11200	0.7
140.07051	4.5
140.07945	0.6
140.10684	1.7
141.05476	36.5
144.95773	0.5
144.98064	0.5
150.05476	2.1
150.06509	0.8
150.09132	1.6
150.12791	4.9
151.03909	0.9
151.11197	10.9
168.06248	0.6
168.07565	9.9
168.10156	2.9
168.13850	49.3
169.04988	15.3
169.07462	0.7
169.14102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0498
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
53.03944	1.5
55.01876	1.8
55.05516	2.2
56.96578	2.6
57.03430	0.6
57.07048	0.6
59.04997	1.2
63.55819	0.4
65.03948	6.9
65.65614	0.4
67.05160	0.5
67.05504	1.9
68.02627	0.6
68.99792	6.6
69.03426	0.9
69.07060	1.9
70.06589	1.7
70.35074	1.3
70.35477	0.9
71.01323	0.5
71.04987	1.0
71.06937	0.7
72.29302	0.4
79.05497	1.5
81.03424	14.4
81.07050	2.6
83.04982	2.5
85.02908	1.6
85.06559	0.8
86.09689	0.7
93.03408	3.9
93.07063	1.1
95.04977	2.0
95.08619	0.8
97.02880	2.5
98.03677	4.1
98.21435	0.5
99.04462	1.0
105.07037	0.6
108.02111	0.8
109.02887	27.1
109.06535	0.9
109.10195	0.7
111.00814	26.2
111.04458	7.3
111.08060	0.9
113.06005	1.2
123.04426	0.7
123.08063	0.8
124.01593	1.8
125.05988	2.0
126.03142	39.5
127.03999	1.1
137.02364	1.0
141.05473	100.0
142.05847	2.2
151.03983	2.3
151.05011	0.7
151.11229	0.9
152.07098	0.6
154.02614	5.4
169.04980	30.8
169.07573	2.2
170.05301	0.8
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
53.03941	4.7
55.01869	4.5
55.05517	8.4
56.94774	1.4
56.96575	12.4
57.03442	3.7
57.07079	9.8
59.04995	3.7
60.77620	1.2
61.95166	1.3
64.92057	1.4
65.03947	34.9
67.05511	23.5
68.99793	3.7
69.03429	4.5
69.07076	13.3
70.06593	1.7
71.05001	7.7
71.08621	1.6
71.55695	1.4
79.05518	7.1
79.95381	1.4
81.03421	15.2
81.07063	17.9
82.01456	1.3
83.04986	5.4
83.08633	8.4
85.02869	3.3
85.06546	4.9
86.42873	1.5
91.05499	6.7
93.03413	20.4
93.07044	7.5
95.04980	5.7
95.08607	6.6
95.72013	1.3
96.08128	1.9
97.06542	2.2
98.03684	2.1
99.04482	2.4
99.08096	2.2
100.02494	9.4
102.03362	3.2
105.07027	4.8
107.08620	7.1
108.02042	1.8
109.02900	26.5
109.06520	5.9
109.10168	85.3
110.03667	5.3
110.05994	2.3
110.10542	1.8
110.54497	4.1
111.00814	16.9
111.03710	3.0
111.04460	49.3
111.08093	100.0
112.04852	1.6
112.08436	1.9
113.06014	3.3
115.05456	3.4
117.55273	3.7
118.03578	3.2
119.08562	2.6
121.10175	2.3
123.04430	3.2
123.08083	5.0
123.11749	6.7
124.04666	8.8
124.07585	1.6
125.06013	13.6
125.07066	4.0
125.09618	1.4
125.55894	1.7
126.03159	28.2
127.03931	2.7
127.11208	79.6
129.06999	2.3
133.05142	1.4
133.10164	2.8
134.06004	4.1
134.07620	2.2
136.57875	4.1
141.05481	78.0
141.06932	11.1
141.12788	2.7
142.08701	2.3
145.10162	2.3
145.58386	17.8
146.04099	2.3
146.08455	4.6
146.58241	2.1
146.96152	1.8
147.11710	2.8
148.12523	1.6
151.03932	14.3
151.07549	2.1
151.11189	4.5
152.07065	4.0
154.02663	2.7
154.07768	5.0
154.58952	5.3
155.04994	1.3
157.09135	2.9
163.97833	1.7
169.04985	32.0
169.06436	6.3
169.07524	7.9
169.10045	9.2
169.12253	12.8
170.08163	4.9
170.09509	2.5
175.11118	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	170.0815
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03947	0.2
55.01904	0.3
56.96584	1.0
59.78566	0.2
65.03957	0.3
70.31173	0.2
70.98370	0.4
71.84412	0.2
76.94155	0.2
79.05502	1.4
80.05088	0.2
81.03389	0.2
81.05801	0.5
82.06580	0.3
94.06587	0.5
96.08149	1.6
98.97575	0.5
100.02472	0.5
101.00890	0.5
102.01009	0.3
106.06577	1.2
110.97562	0.3
112.12973	0.2
119.01929	0.4
120.02055	0.4
121.01730	0.2
123.06829	0.9
124.07610	6.1
128.98601	0.3
131.00130	0.3
134.06032	69.6
135.06380	0.6
137.04723	0.4
146.99605	0.3
147.01378	0.3
147.03233	0.3
147.05063	0.2
150.05495	0.2
152.07086	100.0
153.07446	1.7
170.08144	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	173.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	24.0
55.05514	15.1
55.49210	0.6
55.93534	0.7
56.96569	10.3
57.03441	52.7
57.07107	0.9
59.04994	2.2
63.84008	0.7
67.05509	2.4
71.01359	10.0
71.46777	0.9
72.93794	12.7
75.04476	1.6
79.05486	1.5
79.39337	0.7
82.78436	0.8
83.04986	11.9
85.06511	1.0
86.26205	0.8
87.04477	1.1
89.02402	1.3
90.90388	1.5
90.94827	9.1
91.05489	5.0
93.07040	0.9
96.08158	1.0
97.99214	1.2
98.97591	2.6
99.00822	100.0
99.04491	1.1
101.06022	11.0
103.05470	1.2
105.07044	4.4
108.95882	1.8
111.03706	1.5
111.04446	18.1
111.05218	1.3
112.99141	3.2
113.06033	1.9
113.96389	1.2
115.05487	1.5
116.06282	1.2
117.01870	5.8
117.07045	3.5
118.06520	1.9
118.61440	0.7
119.08587	7.0
127.07574	1.8
128.06235	1.5
128.10730	1.8
129.05501	1.8
129.06985	4.7
130.07777	1.1
131.00186	3.6
131.07574	1.5
131.08571	24.1
131.93039	0.7
132.95815	1.6
133.10138	2.3
141.05687	1.7
143.08557	12.6
144.09358	3.5
145.06456	1.7
145.07578	1.4
145.10126	14.5
146.06082	0.8
148.59735	0.8
149.01221	1.4
149.94125	0.9
149.96129	4.0
150.96812	1.0
155.07050	9.0
156.09312	0.8
157.10106	1.4
158.10918	22.1
167.97202	2.6
171.11609	1.0
173.02351	1.0
173.04442	4.3
173.05942	2.7
173.08148	11.7
173.09648	1.3
173.13269	54.5
174.11281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	24.2
54.81006	0.6
55.05512	8.8
56.03337	0.7
56.96565	6.7
57.03439	55.1
57.84490	0.8
59.04991	1.9
63.41620	0.5
65.03942	0.8
67.05497	1.8
69.60822	3.6
71.01355	10.1
71.05029	0.6
72.19049	0.6
72.25228	0.6
72.93787	7.2
75.04475	2.5
79.05465	1.0
81.07037	0.9
83.04982	9.9
85.02939	0.6
89.02385	1.5
90.94832	5.8
91.05480	4.2
93.07069	0.7
96.08098	0.7
98.92999	0.7
98.97586	1.8
99.00819	100.0
100.01122	1.2
101.06033	7.2
103.03358	0.6
105.07047	4.0
111.04453	10.4
112.99149	2.1
113.06024	0.8
115.05466	1.9
116.06187	1.0
116.98613	0.8
117.01866	8.4
117.07050	3.6
119.08592	5.1
125.00734	0.8
127.07519	1.7
127.98824	0.7
128.06248	0.9
128.10707	0.7
129.05470	2.2
129.07002	2.8
130.07739	1.1
131.00172	1.4
131.07581	1.2
131.08571	21.7
132.05153	0.9
133.10133	1.3
143.08560	10.4
144.09338	3.3
145.06497	2.0
145.07620	1.1
145.10127	11.2
146.05983	0.7
149.01212	1.1
149.94023	0.7
149.96111	2.4
155.06056	0.7
155.07069	5.3
157.10085	0.9
158.10916	18.3
167.97183	1.7
171.11729	1.1
173.04451	4.1
173.05849	1.6
173.08130	7.5
173.09633	2.2
173.13266	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03949	0.9
55.01873	0.6
55.05516	8.9
56.96568	0.5
57.03438	0.9
57.07076	1.7
59.04998	1.8
67.05514	3.2
69.03426	1.2
69.07051	0.9
71.28468	1.0
72.93801	1.4
79.05494	4.1
81.07060	3.1
83.04985	10.3
84.04476	0.8
84.97419	0.5
87.04472	0.6
90.90388	0.5
90.94820	1.3
91.05486	18.5
93.07031	2.9
95.08611	2.0
96.08121	3.8
98.09688	1.2
101.06027	6.7
102.05569	1.3
102.09188	2.1
105.07037	13.0
107.08602	1.2
110.09690	0.9
111.04450	9.6
113.06002	1.1
113.07960	0.7
114.05595	0.7
114.09203	0.5
115.05470	2.3
116.06270	1.8
117.07024	16.0
118.06528	0.6
119.08588	6.9
124.07658	0.7
127.07560	0.8
128.06227	1.7
128.07115	0.7
128.10725	6.2
129.05508	3.6
129.06993	8.0
130.07809	3.7
131.08572	100.0
132.08896	1.3
133.10130	0.7
143.08568	7.3
144.09344	4.1
145.06506	1.0
145.07626	0.9
145.10124	25.1
146.10521	0.7
149.94124	0.6
155.05957	1.0
155.07071	5.6
155.08392	0.9
158.07307	2.4
158.10934	8.4
167.97186	0.7
171.11719	1.1
173.04524	0.8
173.05894	0.7
173.08125	7.7
173.09692	4.5
173.13271	77.8
174.05515	0.7
174.11288	8.6
174.13680	1.0
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
53.78310	0.4
55.05518	8.2
55.93526	0.4
56.96563	1.8
57.03442	1.1
57.07073	1.8
59.05018	2.1
63.36701	0.4
65.03948	0.6
67.05513	2.7
70.06589	0.5
70.63607	1.2
72.93797	4.7
74.06108	0.7
79.05505	1.6
81.03432	0.6
81.07063	3.0
83.04987	9.5
85.06587	0.5
87.04475	1.0
88.07638	1.3
89.02405	0.6
89.07974	1.0
90.90390	3.7
90.94828	4.5
91.05492	11.5
93.07055	1.0
95.04965	0.4
96.08143	3.1
97.02892	0.5
98.09723	0.5
99.04469	0.5
101.06022	6.4
102.09187	1.9
103.05469	0.7
103.09525	0.6
105.07045	11.7
108.91455	0.5
108.95865	1.1
111.04447	10.7
113.06028	0.9
113.96429	1.0
114.09206	0.4
115.05457	2.0
116.06284	2.7
117.07029	8.2
118.06544	0.6
119.08598	12.3
127.07588	0.7
128.04903	0.5
128.06219	2.4
128.10735	4.5
129.05548	2.7
129.07010	10.3
130.06526	0.5
130.07799	3.5
131.00195	0.6
131.08580	81.9
131.92950	1.1
131.97427	0.6
132.08900	1.0
133.10130	2.3
141.07031	0.4
142.07799	1.6
143.08572	26.7
144.09372	8.8
145.06461	0.7
145.10136	28.3
146.05971	0.5
146.10425	0.5
149.94075	2.9
149.96107	1.8
153.02464	0.4
153.06935	0.5
155.05939	0.6
155.07037	5.9
155.08437	1.1
156.09349	1.6
157.10114	1.6
158.07367	2.4
158.10927	38.7
159.06766	0.4
159.11694	2.0
167.97205	1.9
171.11652	2.5
173.02376	3.1
173.04564	0.5
173.08142	7.3
173.09645	6.2
173.13277	100.0
173.17311	6.1
174.05432	0.5
174.11330	4.1
174.13611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03946	0.6
53.98450	0.5
55.05517	8.2
57.07082	1.1
59.05004	1.8
67.05512	3.9
69.07053	0.7
71.31649	1.0
72.12257	0.5
72.93784	1.3
72.96288	0.5
79.05499	3.9
81.07061	3.0
83.04989	6.9
87.04470	1.0
90.25462	0.5
90.90376	0.5
90.94813	0.5
91.05488	16.9
93.07052	2.5
95.08612	1.4
96.08147	2.1
98.09749	0.5
99.04479	0.5
101.06030	5.8
102.09209	0.9
102.92081	0.5
103.03295	0.8
103.05529	0.7
105.04501	0.7
105.07041	12.6
107.08575	0.9
111.04449	7.2
113.05991	0.9
115.05453	2.5
116.06232	3.4
117.07039	14.2
118.06628	0.9
119.08590	10.3
128.06224	1.7
128.10748	3.2
129.05472	1.8
129.07025	11.6
130.06635	0.7
130.07787	4.6
131.08580	100.0
132.08940	1.1
133.10172	1.5
143.08563	18.0
144.09393	6.4
145.06552	0.7
145.07635	0.9
145.10136	31.1
149.96043	0.6
155.07057	4.1
156.09369	1.3
158.07361	1.2
158.10928	19.7
171.11667	1.4
173.02452	0.6
173.08180	6.7
173.09760	2.8
173.13278	90.3
174.11382	3.0
174.13579	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	174.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88821	0.9
55.01866	1.8
55.05503	4.8
55.88844	1.0
56.05027	3.0
56.96569	5.2
57.03449	4.9
57.07082	38.4
58.06598	1.9
60.04532	2.1
62.02457	59.1
65.26285	1.1
67.05493	2.6
68.05019	2.5
69.03412	2.8
69.07063	1.7
70.06593	5.1
70.95856	1.3
71.37508	1.0
71.37847	1.8
72.04518	2.0
72.08140	1.1
72.93794	1.0
73.93833	1.0
74.93125	1.0
79.05484	2.2
81.05794	2.3
81.07057	1.5
82.06566	2.2
83.04982	13.6
84.04514	3.2
84.05283	1.4
84.08141	3.2
85.02903	1.4
85.06532	1.8
85.08921	3.4
86.06071	1.8
86.80546	1.1
87.04506	1.0
88.03995	5.1
89.09098	1.2
90.05557	1.1
91.05478	4.4
91.90426	1.5
95.04976	1.0
95.08621	1.3
96.04476	3.6
96.08141	40.3
97.02891	3.4
98.09705	7.4
98.98476	18.2
100.07602	2.4
101.06011	4.1
102.05554	10.9
102.09196	15.4
105.07040	4.8
106.06583	1.3
110.09686	3.0
111.04408	1.8
112.04771	2.0
114.05529	5.4
114.09185	4.8
115.03925	2.4
117.05759	1.2
118.06530	3.1
118.08665	84.7
119.08566	6.1
119.60829	1.0
124.07573	5.2
126.09056	1.1
128.07080	4.4
128.10725	65.8
129.05478	1.5
131.08580	2.3
132.08081	5.6
132.08905	2.0
133.10118	4.0
142.08693	2.0
144.08054	1.4
145.08875	1.7
146.06001	3.4
146.08089	1.3
146.10558	1.7
146.11816	2.5
147.04485	1.1
147.11723	1.7
150.96864	1.6
156.10184	4.3
156.13860	1.4
159.11391	1.5
174.05470	4.2
174.07571	2.7
174.09032	1.7
174.11330	65.1
174.12759	9.9
174.14908	100.0
175.07578	1.4
175.11295	4.5
175.14888	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	174.1491
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01865	2.7
55.05268	1.5
55.05515	20.7
56.05030	3.5
56.05840	1.1
56.44881	0.8
56.47781	0.7
56.96553	2.0
57.03428	2.6
57.07065	3.5
59.05005	1.4
67.05510	5.1
69.03423	0.8
69.07073	38.7
69.43230	4.3
69.43645	1.8
70.06584	1.4
70.95863	3.3
71.04987	1.3
72.93798	4.1
76.49158	0.9
79.05500	8.2
81.07062	10.2
82.06570	1.6
83.04981	8.7
84.05299	1.1
84.08124	1.0
85.02909	1.0
85.06532	1.5
86.77708	0.7
90.94824	3.2
91.05472	3.6
93.07049	14.2
95.08621	11.3
96.08138	15.9
97.02869	1.1
97.06551	6.4
97.10174	13.8
98.09678	2.5
98.98480	4.4
100.07611	1.3
101.06001	2.0
102.05568	3.8
102.06230	0.8
102.09190	3.7
105.07047	1.9
109.30508	0.8
111.11710	2.3
111.98471	2.4
114.09167	2.8
118.06547	1.5
119.08581	2.1
121.10158	11.4
124.07600	2.6
127.03828	0.9
128.04987	2.0
128.07054	1.3
128.10724	17.9
132.08066	1.0
132.95837	10.1
133.10132	1.7
133.64577	0.8
134.28703	0.7
138.12758	2.3
139.11205	5.6
144.08092	0.8
146.06039	5.6
150.96907	8.7
155.97443	1.6
156.13850	100.0
157.14156	2.7
173.98419	1.2
174.05475	4.6
174.08846	0.8
174.11313	19.0
174.12758	2.3
174.14902	28.1
175.07460	1.1
175.14917	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	175.1192
Annotation	D-Arginine
Peak:m/z	Relative Intensity
50.27926	0.4
53.03921	0.5
55.01876	0.8
56.96572	1.8
57.03444	2.0
58.06629	0.5
59.68058	0.5
60.05655	33.0
61.02943	0.5
69.03441	0.9
70.06599	100.0
70.37225	1.5
70.99880	0.7
71.04998	3.0
71.06929	0.8
72.08167	6.1
73.02934	1.7
81.03403	0.5
82.99834	0.9
84.08150	2.1
85.01425	3.6
85.02937	1.2
87.04482	1.6
88.07639	1.0
97.02879	0.8
98.06068	2.4
98.20828	0.5
98.97583	1.1
98.98497	0.7
101.00890	9.7
102.00986	1.0
103.00632	1.0
103.02464	5.9
110.97602	0.4
111.52954	0.6
112.07613	2.5
112.08734	3.1
113.00900	0.6
113.07222	0.5
114.10309	0.9
115.02438	2.6
115.08723	0.6
116.07105	27.4
119.01934	16.1
119.02811	0.6
120.02052	1.3
121.01730	1.3
121.03522	1.8
127.02389	0.7
127.03886	0.6
129.10226	0.6
130.08759	0.8
130.09770	12.5
130.12340	0.6
131.01912	1.3
133.03474	14.3
137.02972	3.1
143.01849	0.5
145.01682	0.5
145.03491	4.6
151.04529	3.4
155.01891	0.4
156.02054	0.5
157.03499	1.2
157.10852	0.7
158.09273	6.3
161.02980	1.8
161.44707	0.5
163.02745	0.5
163.04535	1.0
174.99229	0.6
175.03014	0.7
175.04546	20.4
175.11932	18.8
176.04697	0.8
176.12723	0.4
186.03253	1.0
193.00197	0.4
193.05597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01859	2.3
55.05515	8.7
55.28956	0.9
56.96554	1.5
57.03437	1.7
61.01141	1.0
65.03941	0.9
67.05504	3.4
69.03424	1.6
69.06737	1.1
69.07076	18.3
69.25686	9.8
70.06592	1.5
79.05506	5.4
81.03413	1.2
81.07062	12.6
83.08622	3.4
85.06521	1.5
89.36862	0.9
90.03482	0.9
91.05489	20.2
93.07059	6.5
95.04942	1.3
95.08602	6.9
97.02869	1.7
97.08450	1.0
98.09686	1.1
98.98473	31.2
99.04498	1.1
103.05494	1.3
105.07038	41.6
106.07374	1.5
107.08593	7.1
111.04418	1.1
115.05454	1.8
117.07024	4.4
119.04923	3.3
119.08588	74.1
120.08866	1.6
121.10098	2.2
127.03953	2.0
128.06169	1.5
129.07016	2.8
129.11026	1.8
130.06587	1.4
131.08589	6.7
132.05714	1.1
133.06503	3.9
133.10139	100.0
142.07771	2.8
144.10226	3.3
145.06458	2.2
145.10130	7.4
146.10968	1.1
147.04437	3.0
147.08124	2.7
147.11713	16.4
157.10126	4.3
160.05234	3.0
160.08871	4.3
160.12503	2.7
173.13239	2.3
175.03963	5.1
175.07507	6.8
175.11237	17.4
175.14836	77.3
176.12860	2.0
176.15201	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	1.0
55.05519	4.8
56.44374	0.4
57.07075	0.5
57.57394	0.4
61.02969	0.5
67.05509	1.7
69.07073	12.5
69.90881	1.1
69.91286	1.3
69.93636	0.4
79.05506	2.4
79.63506	0.5
81.07064	5.9
83.08629	2.0
85.06544	1.0
91.05490	10.6
93.07047	3.6
95.05002	0.7
95.08625	3.8
97.02925	0.7
98.98476	12.2
99.04462	0.7
103.05471	1.4
105.04586	0.5
105.07043	22.8
107.08599	5.2
115.03948	0.8
115.05428	0.6
117.07030	4.1
119.08595	64.8
120.08867	0.6
121.10161	1.5
127.03954	0.6
129.07036	1.2
129.11066	0.7
131.08586	5.2
132.09338	0.6
133.10146	64.5
133.17949	0.4
134.07161	0.8
134.10559	1.6
135.07922	1.3
142.07816	1.4
144.09366	1.4
144.10275	1.3
145.10136	11.7
146.10927	1.0
147.11705	26.0
157.04189	0.6
157.10120	2.1
158.10777	0.5
159.11707	5.9
160.08882	1.0
160.12498	9.1
161.13217	1.6
173.13286	2.1
175.11392	4.3
175.14841	100.0
176.12865	0.7
176.15216	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	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03950	1.1
55.05518	12.9
57.07082	0.8
65.03959	1.1
67.05521	3.5
68.68224	0.6
69.06724	1.0
69.07078	16.5
69.40973	5.0
79.05500	6.6
81.07065	18.6
83.08614	3.8
91.05491	19.2
93.07055	8.4
95.08620	11.8
98.98476	4.5
103.05492	1.6
104.06174	0.7
105.07041	55.9
105.63076	0.7
106.07399	1.0
107.08605	11.7
109.10131	0.8
115.05447	0.7
117.07043	4.9
119.08593	100.0
120.08949	1.5
121.10151	2.6
129.07050	1.2
131.08583	11.8
133.10143	63.8
134.10461	1.3
145.10135	4.4
146.10899	5.2
147.11703	19.6
157.10162	0.8
160.05235	0.7
160.12485	2.9
173.13306	2.3
175.07552	1.2
175.14848	100.0
176.15184	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
52.72786	1.2
55.05511	11.7
57.07069	1.1
66.31089	1.2
67.05511	5.9
69.06721	1.2
69.07070	14.0
69.44974	8.6
79.05488	4.8
81.07060	18.8
83.08604	4.0
83.68539	1.2
86.33564	1.0
91.05484	18.0
92.85973	1.0
93.07048	9.3
95.08614	11.7
96.46523	1.0
98.20776	2.7
105.07034	58.0
107.08591	10.4
117.07024	3.7
119.08585	91.6
120.08831	1.3
121.10128	1.8
131.08565	10.4
132.09364	1.9
133.10133	61.2
145.10123	6.2
146.10864	5.5
147.11676	19.7
160.12543	1.6
173.13226	1.4
175.07582	1.7
175.14832	100.0
176.15141	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.31509	0.5
55.05514	8.8
57.07082	0.9
59.34922	0.5
64.80984	0.6
67.05514	2.0
69.07075	23.7
69.42071	2.5
69.42492	1.6
77.03920	0.8
79.05484	3.2
81.07067	6.9
83.08619	4.4
84.74373	0.6
91.05493	10.8
93.07058	4.3
95.08611	6.7
98.20683	0.6
98.98484	1.9
103.05488	0.6
105.07041	26.2
107.08604	6.4
117.07040	3.6
119.08594	96.9
120.08853	1.3
121.10162	3.5
123.21536	0.5
129.06996	0.6
131.08572	4.6
132.09418	0.7
133.10146	86.1
134.10411	1.4
145.10136	9.0
146.10898	1.6
147.11700	14.4
159.11710	1.2
160.12474	4.8
161.88997	0.5
171.86166	0.6
173.13223	2.7
175.14842	100.0
176.15211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96704	0.7
53.03945	0.9
55.05521	9.5
55.23318	0.9
57.07087	1.1
63.39654	0.6
65.03938	0.8
67.05513	2.6
69.07076	25.2
70.09272	3.2
79.05494	3.8
81.07072	8.8
83.08631	3.9
91.05489	15.3
93.07053	4.1
95.08619	7.5
98.04435	0.8
98.98475	2.7
105.07048	33.3
106.88020	0.7
107.08612	7.7
117.07052	4.2
118.07890	0.8
119.08597	100.0
120.08884	1.3
121.10164	2.7
129.07005	1.0
131.08600	5.7
132.09375	1.1
133.10149	82.1
134.10498	1.4
145.10149	7.8
146.10884	2.1
147.11691	12.7
160.12460	2.9
173.13272	3.1
175.14844	92.1
176.15178	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	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03956	0.7
53.49680	0.7
55.05515	12.1
56.96549	1.1
57.07071	1.0
63.93584	0.9
67.05507	4.0
69.07072	28.0
69.76365	1.6
69.76755	1.8
79.05504	5.4
81.07063	10.9
83.08622	5.2
91.05486	13.8
93.07053	5.6
95.08611	7.5
98.20805	1.2
98.98460	9.2
103.05481	0.8
105.07034	36.2
107.08601	8.7
115.05455	1.1
117.07024	5.9
119.08588	100.0
120.08856	1.2
121.10136	3.9
129.07005	1.2
131.08578	5.8
132.09354	0.9
133.10138	83.4
134.10492	1.0
138.92026	0.7
144.10162	1.1
145.10132	7.3
147.11688	12.9
157.10103	1.2
158.10951	1.2
159.11723	1.0
160.05304	1.0
160.12489	4.7
173.13258	2.5
175.03900	1.4
175.07556	2.3
175.11272	2.8
175.14832	98.3
176.15184	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.24343	0.6
54.25785	0.6
55.01889	0.8
55.05511	9.0
56.96570	1.0
57.03437	1.1
57.07080	0.8
60.05642	0.6
60.24332	0.5
64.57352	0.6
65.03936	0.8
67.05510	3.9
69.03426	1.2
69.07070	22.6
69.69410	1.7
69.69821	1.9
70.06596	1.5
72.93781	0.7
79.05486	5.4
81.07060	8.8
83.08624	4.7
84.08125	0.8
85.02941	0.6
85.06547	1.3
87.04473	0.8
89.03879	0.7
91.05484	19.4
92.05806	0.7
93.07044	5.2
95.04971	1.2
95.08602	6.6
97.02892	1.7
97.08472	0.7
98.98470	21.0
99.04449	0.6
101.61163	0.6
103.05466	1.5
105.07034	36.9
107.04923	0.6
107.08600	6.8
111.04426	1.0
115.05436	2.8
117.07018	5.0
119.04946	4.3
119.08585	100.0
120.08856	1.3
121.10154	2.5
127.03989	0.6
128.01372	0.7
128.06223	2.5
129.07014	6.7
129.11079	0.9
130.06528	1.5
131.08562	6.9
132.05748	1.6
132.09323	0.9
132.95822	1.6
133.10136	77.9
134.10513	1.1
135.11674	1.3
142.07741	1.9
143.04839	0.7
144.10208	1.5
145.06480	0.8
145.10123	9.3
146.10863	1.8
147.04405	4.8
147.08049	3.9
147.11687	15.4
157.06537	4.6
157.10144	2.0
158.10928	0.6
160.05209	5.4
160.12492	4.3
173.13234	2.1
175.03874	4.3
175.07536	12.8
175.11298	8.1
175.14825	99.1
176.07050	0.8
176.15155	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0549
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02375	0.5
53.03947	0.9
56.96574	0.5
63.02400	1.7
63.28135	0.5
70.99275	0.8
70.99601	0.5
75.75298	0.4
77.03950	0.7
78.04717	2.7
79.05498	1.2
83.08613	0.7
89.03928	48.0
90.04238	0.7
91.05479	4.2
93.07077	1.4
95.04978	0.8
98.97589	0.5
98.98481	1.5
103.05482	2.1
105.03403	0.5
106.04202	4.4
107.04991	0.7
107.08606	2.0
109.10213	0.5
117.03394	86.7
118.03712	1.1
121.02953	0.5
121.06514	2.0
121.10156	1.4
124.05235	0.8
131.04927	0.8
131.08588	0.9
132.08144	0.5
134.03644	10.5
135.04453	4.5
135.08067	0.8
145.02861	100.0
146.03210	1.8
149.05998	26.5
158.06035	0.5
160.07571	0.9
162.03145	1.8
163.03917	1.8
177.05486	25.4
177.12810	0.9
177.16412	0.7
178.18230	0.5
186.05563	1.1
194.77032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0549
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01583	0.4
53.03956	0.8
63.02390	1.2
65.03965	0.7
66.72681	0.3
69.82056	1.8
77.03951	0.6
78.04724	2.7
79.05502	1.2
81.07065	0.6
81.14513	0.3
82.70144	0.4
83.64565	0.4
86.39643	0.4
89.03926	47.2
91.05496	4.8
93.07046	1.2
95.04949	0.9
95.08618	0.7
98.97585	1.9
98.98494	1.3
103.05506	2.1
105.03426	0.7
105.04533	0.4
106.04192	6.6
107.08612	1.4
116.98677	0.8
117.03391	84.2
118.03731	1.6
119.04967	0.9
121.06501	2.2
121.10159	1.2
124.05280	0.4
125.08467	0.4
129.04515	0.6
131.04948	0.9
134.03651	11.6
135.04436	4.4
145.02858	100.0
146.03200	2.4
147.04445	0.5
149.05995	25.1
150.06447	0.6
158.05951	0.6
158.99625	0.4
162.03157	1.3
163.03914	1.4
169.21933	0.4
177.05489	25.9
177.09129	0.9
178.05937	0.6
186.05528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03960	0.9
54.48219	0.4
55.01842	0.4
63.02390	1.2
64.28548	0.4
67.05505	0.4
69.45293	3.1
78.04745	2.7
79.05510	1.3
81.07047	0.6
89.03929	51.0
89.97174	0.4
90.04279	0.8
91.05491	3.8
93.07065	2.7
95.04987	0.7
97.06606	0.4
98.98468	0.7
103.05472	1.9
105.03401	0.6
105.07076	0.6
105.11779	0.5
106.04176	3.7
107.04946	0.5
107.08604	1.5
109.06548	0.4
117.03394	81.4
118.03719	1.4
119.08607	0.4
121.06525	0.8
121.10166	0.6
124.05252	0.7
131.08592	1.2
134.03647	9.1
135.04471	3.4
145.02864	100.0
146.03201	2.2
149.06001	25.4
150.06381	0.6
158.06033	1.1
162.03171	1.4
163.03923	1.7
177.05492	25.9
177.12787	1.0
178.05791	1.2
186.05486	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03941	2.3
55.05503	1.6
56.96560	3.2
57.64013	0.8
63.02369	1.2
63.15350	0.7
65.03925	1.2
67.05505	1.0
68.45125	0.6
69.07080	1.3
70.70082	1.8
70.70474	1.4
72.41581	0.7
77.03903	0.8
78.04716	6.5
79.05493	3.0
81.07046	0.8
83.08613	1.5
89.03924	50.4
91.05483	10.0
93.07057	5.5
95.04975	3.7
95.08611	1.9
98.97600	2.3
98.98472	2.9
103.05480	3.6
104.87914	0.6
105.03350	1.4
105.07039	2.7
106.04181	18.1
106.07397	0.9
107.04987	1.3
107.07620	0.6
107.08607	3.6
109.10152	1.0
116.04933	2.6
117.03387	84.2
118.03690	1.5
120.08945	1.6
121.06510	6.0
121.09272	1.5
121.10145	5.0
124.05255	0.7
125.05445	2.0
131.04910	1.3
131.08591	1.4
134.03632	13.3
135.04413	6.2
135.10780	0.9
135.11711	1.1
139.05188	5.6
145.02856	100.0
146.03218	2.7
147.04453	0.8
148.05685	1.2
149.02303	0.8
149.05995	32.2
152.02313	0.8
159.11688	1.4
162.03120	2.8
163.03911	3.9
177.05486	31.0
177.09070	1.5
177.12743	1.4
177.15382	2.1
177.16660	0.9
181.28563	0.7
186.05623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0549
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03950	1.2
55.01868	0.6
55.05513	1.1
57.25756	0.5
61.49606	0.4
63.02378	1.4
65.03934	0.7
66.29639	0.5
67.05498	1.0
69.07073	1.5
70.08366	2.3
78.04725	3.7
79.05502	2.5
81.07066	1.2
83.08630	0.6
89.03926	45.9
90.04269	0.9
91.05484	3.8
91.56641	0.5
93.07050	3.6
95.04987	1.0
95.08607	3.4
96.87109	0.6
98.97702	0.5
98.98481	1.7
103.05463	1.9
105.03418	0.5
105.07036	0.8
106.04198	3.9
107.04984	0.5
107.08596	4.2
109.10157	1.5
109.12049	0.5
117.03389	83.4
118.03734	1.4
119.04956	0.7
121.06515	1.2
121.10152	3.8
124.05187	0.8
129.04521	0.6
131.08586	0.7
134.03647	9.1
135.04445	4.1
135.11688	1.2
145.02858	100.0
146.03181	2.3
149.05989	24.5
149.13257	0.9
158.05978	0.9
162.03171	1.0
163.03912	1.3
173.26004	0.5
177.05484	22.8
177.12823	0.9
177.16377	3.8
186.05540	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.15987	0.4
53.03941	0.4
56.96550	0.4
62.05563	0.5
63.02394	1.3
65.03955	0.5
67.05512	0.6
69.07088	0.7
70.23775	1.7
73.64119	0.4
78.04718	3.6
79.05507	1.6
81.07063	1.2
86.10714	0.4
89.03925	47.0
90.04275	0.7
91.05493	4.3
93.07060	2.6
95.04973	0.7
95.08605	0.8
98.98470	1.3
103.05482	1.6
105.03374	0.6
105.07066	1.0
106.04195	5.0
106.04890	0.7
107.08587	2.3
112.94136	0.4
117.03388	83.8
117.07002	1.1
118.03738	1.5
119.04959	0.8
119.08602	0.6
121.06509	1.2
121.10152	1.3
124.05183	1.0
124.21777	0.4
131.08598	0.6
134.03639	11.1
135.04454	4.2
145.02856	100.0
146.03214	2.0
149.05994	24.2
158.06050	0.8
162.03226	2.2
163.03934	1.9
177.05478	23.2
177.08949	0.6
177.12798	1.8
178.05818	0.5
186.05524	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03941	3.9
53.81605	0.9
55.01873	4.9
55.05514	5.0
56.18953	0.9
56.96557	1.2
57.03428	2.6
58.72303	1.0
58.90693	0.9
61.45004	0.8
62.01607	1.0
62.26242	0.9
65.03941	2.3
67.05173	1.7
67.05508	23.6
68.99782	1.4
69.03439	1.8
69.07066	8.4
69.34769	6.9
69.96403	0.8
77.03900	1.0
79.05499	36.2
81.03412	4.0
81.07064	37.3
83.04974	4.9
83.08650	4.9
85.06567	1.0
87.00830	1.2
89.03918	6.4
91.03974	1.3
91.05486	36.6
93.07051	51.8
95.04976	10.5
95.08619	11.4
97.06528	9.9
98.98475	4.0
103.05508	4.6
105.04503	1.7
105.06393	1.6
105.07041	24.3
106.04160	1.7
107.04967	4.5
107.08609	23.3
109.06516	4.7
111.08073	3.7
115.05431	1.5
116.06245	1.3
116.64948	0.8
117.03390	13.7
117.07020	27.4
119.08602	6.3
121.06511	5.8
121.10146	15.1
123.07996	1.1
127.90670	0.9
129.07018	1.7
130.07814	1.5
131.01993	0.9
131.04929	1.7
131.08580	30.2
133.06535	1.1
133.09103	1.7
133.10135	35.0
134.03603	1.9
135.08073	8.8
135.11681	9.4
141.29018	1.1
144.09369	2.1
145.02850	15.4
147.11699	1.1
149.02371	1.1
149.05969	6.7
149.09674	4.8
149.13281	16.3
159.11703	42.9
177.05504	9.8
177.12759	100.0
177.16301	2.9
178.13231	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	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05520	9.5
56.96561	1.2
57.07085	3.9
65.03953	1.2
67.05505	8.5
69.07074	50.5
70.07414	1.0
71.08624	1.0
72.27202	0.7
76.27449	0.7
78.04680	0.9
79.05503	14.2
81.07071	11.3
83.05039	0.7
83.08630	13.7
89.03928	11.5
91.05485	11.1
93.06479	1.8
93.07056	34.3
95.04985	2.1
95.08616	46.7
97.10165	1.6
98.20602	1.6
98.98474	7.2
103.05463	2.7
105.03391	0.9
105.04564	1.2
105.07056	7.6
106.04165	2.3
107.08604	60.9
108.08940	1.6
109.10163	20.6
117.03385	18.6
117.06984	1.5
119.08573	3.4
121.02980	1.2
121.06499	3.2
121.10154	100.0
122.10469	0.8
123.11694	1.3
131.01930	1.1
131.04944	1.0
131.08540	2.4
133.05966	0.7
133.10136	2.3
134.03644	3.0
135.04463	1.1
135.10693	1.1
135.11708	21.2
142.06412	0.9
145.02861	22.5
145.10547	0.9
146.58965	0.8
149.02393	1.1
149.06015	7.7
149.09627	1.4
149.13315	6.1
159.08092	1.5
159.11671	2.7
162.03165	1.2
177.05493	11.2
177.06911	1.3
177.07806	0.8
177.09116	2.9
177.13017	4.8
177.16397	84.4
178.16699	2.6
179.03777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05515	26.8
57.07074	3.2
57.75211	1.8
67.05518	16.6
69.07071	40.1
69.39685	12.0
69.40088	3.1
74.28809	2.0
76.07651	1.6
79.05495	30.8
81.06587	2.1
81.07063	33.6
81.20375	2.0
83.08625	22.1
83.92035	1.7
89.03924	28.6
91.05487	12.4
93.07048	59.2
95.08613	77.4
97.08605	1.5
97.10168	5.4
98.98465	3.0
105.07037	8.7
105.61929	1.5
106.04189	3.4
107.08601	81.4
109.10152	29.3
117.02620	2.9
117.03391	40.6
119.08599	2.3
121.10148	91.0
122.10481	3.0
123.11654	2.5
134.03621	6.0
135.11697	32.0
140.84361	1.5
145.02856	51.1
149.05977	12.6
149.13274	11.2
177.05501	14.4
177.12816	3.0
177.16397	100.0
178.16788	3.2
186.05203	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	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05524	7.3
56.96562	1.4
57.07071	2.9
67.05517	8.4
69.07075	53.6
70.98864	1.9
70.99194	1.0
76.88731	1.0
79.05505	10.7
81.07066	9.9
83.08623	11.6
89.03940	6.2
91.05485	8.2
93.07052	32.3
95.08617	45.4
97.10138	1.7
98.98450	3.2
105.07049	7.8
106.04220	1.4
106.07826	1.2
107.08607	60.2
109.09479	1.4
109.10175	20.2
117.03391	9.5
119.08609	2.2
121.06545	1.2
121.10157	100.0
122.10474	1.7
128.54396	1.0
131.08525	1.4
133.07649	1.2
133.42770	1.0
134.03618	1.2
135.11714	18.2
137.32237	1.0
145.02881	13.4
147.98537	1.0
149.05980	3.3
149.13309	8.6
151.64113	1.0
174.27972	1.1
177.05486	5.4
177.16406	81.1
183.97542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03947	2.1
55.05518	25.0
57.07068	3.1
67.05509	17.1
69.07072	36.3
69.40893	11.0
71.08620	1.3
71.63264	1.3
79.05505	27.8
81.07066	33.6
83.08199	2.0
83.08630	21.1
87.67313	1.1
89.03923	2.6
91.05480	11.7
93.07058	64.6
95.04949	2.4
95.08617	67.9
96.08938	1.5
97.10176	5.3
98.98462	1.9
105.07056	7.2
107.08607	81.6
109.06544	2.1
109.10168	29.5
117.03378	4.5
119.08562	3.1
121.10158	100.0
123.11751	1.7
124.23706	1.3
133.10130	2.6
135.11717	33.2
142.00500	1.3
145.02858	5.4
147.11661	1.3
149.05940	1.5
149.13304	11.9
153.14366	1.4
177.05510	2.6
177.16409	95.3
178.16728	3.2
178.59795	1.2
188.66283	1.3
196.89880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1229
Annotation	Valerianine
Peak:m/z	Relative Intensity
54.96813	0.5
56.96567	1.5
68.50533	0.5
70.70131	1.1
80.05045	0.5
91.05527	0.5
92.05071	0.5
93.99063	0.4
104.15242	0.4
105.07042	1.1
107.08587	0.7
115.05515	0.5
117.07047	1.6
118.06551	9.1
119.07336	8.4
132.08089	1.0
134.09669	61.3
135.10008	0.6
136.93105	0.7
147.10439	0.5
154.94209	0.7
157.07408	0.4
160.11235	1.0
162.09209	2.1
163.09886	0.7
178.12291	100.0
179.12651	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	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
53.03947	0.3
55.01867	0.6
55.94770	0.2
56.96563	0.4
57.07073	0.3
67.01873	1.8
67.05494	0.4
67.97311	0.2
68.99438	0.2
68.99796	3.5
69.03419	0.3
70.25764	0.9
71.01357	0.5
74.67723	0.2
79.05500	0.5
81.03407	0.7
81.07054	0.6
81.07861	0.2
83.89066	0.2
91.01862	0.3
91.05489	1.3
93.07058	0.5
95.01323	0.4
95.04971	1.0
95.08599	0.4
98.97592	0.2
105.03405	0.9
105.07041	0.7
107.04955	0.3
107.08596	0.4
109.02894	0.5
109.06528	0.8
109.10130	0.5
111.04451	2.3
119.04932	1.1
119.08585	0.6
121.10149	0.8
123.04469	1.2
123.08075	3.3
125.64138	0.2
127.03944	0.3
133.02856	1.7
133.06476	0.6
133.10149	0.8
135.11662	0.6
136.05179	0.3
137.02348	1.4
137.05959	0.3
137.09595	0.3
137.13223	1.1
137.87529	0.2
147.04486	1.0
151.03966	0.3
151.11165	0.2
155.03403	1.8
161.02367	1.0
161.05980	0.7
176.42805	0.2
179.03407	100.0
179.14268	0.6
180.03766	1.6
190.54634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
56.96545	1.9
57.07074	0.8
58.46783	0.6
58.99864	0.7
63.84056	0.5
67.05507	1.1
69.03408	0.6
69.70166	3.3
77.00926	0.5
82.01444	1.6
82.99857	2.4
85.60242	0.5
91.05484	2.4
93.07095	0.8
95.04947	0.7
98.97572	1.2
99.50343	0.5
100.02470	5.2
100.97239	0.6
101.00889	36.0
103.02516	0.6
103.75877	0.7
105.07078	1.3
108.05701	0.5
115.02435	3.1
118.03529	1.5
119.01928	100.0
119.04942	2.4
120.02039	3.4
123.08107	0.6
130.04169	0.5
133.01651	2.0
133.03477	13.5
135.53282	0.6
137.02963	23.1
137.08218	1.0
138.03986	1.0
139.02428	0.5
142.03534	1.5
143.01944	0.8
147.04410	2.3
151.04515	4.1
156.02040	1.1
156.03244	0.9
156.05061	6.6
156.97519	1.4
157.03485	1.5
160.04643	0.6
161.02971	23.6
161.05942	0.8
162.03156	1.1
173.02950	0.9
174.03107	1.4
174.06192	1.8
175.02777	0.6
175.04495	0.9
179.04041	28.2
179.06586	1.2
179.10678	1.9
180.04172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
50.51721	0.3
51.02381	0.4
53.03946	4.4
55.01876	1.7
55.05518	0.5
56.96570	0.8
57.03440	16.3
59.04989	0.3
60.38188	0.3
65.03931	0.5
67.05493	0.6
69.07085	0.3
70.98739	0.5
77.03915	1.7
79.05496	20.8
80.05812	0.3
81.03435	0.4
81.07070	0.7
82.01421	0.3
88.51660	0.3
91.05482	4.0
93.07049	1.3
95.04971	5.7
95.08643	0.6
103.05479	0.3
105.03395	100.0
105.04543	2.6
105.07030	3.0
106.03730	1.1
107.08607	2.6
108.04448	0.3
109.06516	0.5
119.04948	2.5
119.08589	0.9
121.06510	0.5
121.10144	0.4
123.04435	17.4
124.04793	0.4
133.06494	0.8
133.10141	4.9
135.04434	0.4
135.11725	0.3
137.05988	1.4
137.09573	0.4
146.07265	0.3
147.03362	0.4
147.04419	3.1
151.03918	0.4
151.07555	0.5
161.05992	1.1
161.09636	1.9
161.13293	0.3
162.05400	0.3
179.03456	2.2
179.07053	13.8
179.10614	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03948	2.2
55.01870	4.3
55.05515	11.5
56.92411	1.2
56.96555	4.8
57.03447	9.1
57.07086	1.6
58.76840	1.2
65.03925	2.6
67.05511	45.2
67.96944	1.2
69.03426	2.9
69.07079	11.4
70.99233	2.6
71.04978	4.0
79.05501	32.4
81.07066	93.1
83.04988	8.3
83.08619	5.6
85.06554	10.1
91.05491	37.4
93.07050	43.3
95.04958	5.3
95.08617	75.3
95.09250	2.6
97.06549	13.2
98.97544	1.6
99.08123	9.6
105.07042	38.8
107.08604	20.0
109.06522	6.5
109.10165	8.4
111.08131	6.0
113.09681	1.6
117.07048	4.3
119.04921	3.3
119.08592	59.2
121.10162	13.6
123.08103	10.1
124.92162	1.4
131.08585	1.9
133.10146	35.1
135.11711	33.3
137.09602	5.1
137.13280	2.0
147.03381	1.3
147.04420	3.3
151.11148	2.2
161.06125	2.0
161.13271	94.6
162.13635	2.2
163.03952	2.0
177.68840	1.5
179.03400	3.5
179.14333	100.0
189.43359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03973	1.2
54.03498	0.9
55.01897	1.7
55.05543	2.6
56.96586	1.7
57.03453	1.3
57.04587	2.0
57.07081	22.5
58.03401	0.7
59.05034	2.7
64.23141	0.8
67.05528	2.1
68.02686	0.9
68.05047	1.4
69.03444	1.0
69.07076	4.0
69.31782	1.6
69.32191	5.1
70.06611	0.9
71.05023	1.2
71.95276	1.3
78.09008	0.9
79.05498	11.2
79.05901	0.8
80.05045	0.9
81.03436	6.3
81.07065	4.4
83.04988	46.7
84.04529	2.8
84.36868	0.7
85.06593	0.7
88.17522	0.8
91.05489	5.1
91.10214	0.8
93.05842	0.8
93.07055	7.5
95.04979	16.2
95.05557	1.0
95.08624	1.4
97.06537	24.7
98.97590	24.1
99.04442	0.8
99.05584	6.5
99.90366	0.8
105.07058	5.0
107.04985	2.0
107.08600	13.2
108.08128	14.8
109.06524	1.0
116.98631	16.3
117.07025	1.7
119.08600	3.3
121.06527	3.3
121.10146	12.2
123.08102	1.1
125.05997	63.4
126.06312	0.8
130.07816	2.8
133.10144	0.9
134.99677	7.5
135.08029	0.9
135.11696	6.6
136.07584	23.0
139.07530	0.9
140.00212	3.2
145.10133	11.3
148.08891	1.0
154.08646	1.2
158.01242	1.4
163.11189	100.0
164.11559	2.2
173.15637	0.9
181.08621	1.1
181.10991	1.2
181.12236	31.2
182.08121	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01861	2.2
55.05504	2.7
56.96553	1.4
57.07079	22.2
59.04991	2.5
67.05514	1.3
69.07067	3.3
70.10019	5.3
71.04996	1.5
72.93027	0.9
79.05484	7.9
80.04972	1.2
81.03439	5.1
81.07053	4.2
83.04987	43.3
84.04511	1.9
91.05468	4.5
93.07052	7.3
95.04971	14.2
95.08611	1.9
97.06542	27.4
98.20786	1.0
98.97590	11.6
99.05572	3.9
104.69516	1.2
105.07024	5.6
107.04987	2.4
107.08589	10.4
108.08123	8.7
109.06479	1.5
116.98635	7.9
117.07006	2.5
119.08590	2.9
121.06506	3.4
121.10162	11.3
125.05998	70.4
130.07791	3.2
134.99643	2.5
135.11681	5.7
136.07579	15.9
145.10117	10.9
163.11191	100.0
164.07108	1.5
164.11543	2.1
164.60988	1.0
181.10933	1.2
181.12248	29.3
182.08180	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03931	1.0
55.01866	2.1
55.05523	1.9
57.04559	2.2
57.07080	23.2
59.04992	3.0
67.05496	1.5
68.72072	0.8
69.03426	1.6
69.07063	3.4
70.67418	2.4
79.05497	8.4
81.03425	5.6
81.07048	2.6
83.04989	46.4
84.04509	1.5
91.05482	3.3
93.07044	6.7
95.04973	16.7
97.06541	24.4
98.97581	4.7
99.05601	4.6
103.42697	1.0
105.07048	5.2
107.04958	2.7
107.08604	10.1
108.08151	4.1
116.98611	3.0
117.07012	2.3
119.08578	2.8
121.06518	3.7
121.10156	12.0
123.08092	0.8
125.06005	62.2
130.07799	2.0
135.07983	0.8
135.11696	5.4
136.07607	7.9
145.10126	10.7
153.48323	0.9
163.11195	100.0
164.11470	1.7
181.12253	25.1
181.14595	1.2
182.08110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03943	5.1
54.03478	1.7
55.01870	7.6
55.05505	4.0
56.05033	6.1
56.96558	3.2
57.03432	2.7
67.05504	2.5
68.02650	2.9
68.05029	5.4
69.03415	7.2
70.06208	1.1
70.06599	28.0
70.76259	3.3
71.05002	17.2
80.05016	7.3
81.03433	6.3
81.07048	4.3
82.06590	4.8
84.04508	93.0
85.02905	18.4
91.05488	4.3
93.05807	2.9
93.07037	5.6
94.06019	2.2
94.06579	25.6
95.08607	1.4
95.18593	1.0
96.04498	1.6
96.08134	2.4
98.06063	3.2
98.09731	1.3
98.97582	6.2
99.02886	1.0
99.04462	20.9
99.97929	2.4
100.03996	3.9
108.08122	61.3
110.09688	5.4
116.98624	2.8
119.01934	1.3
120.04434	1.7
122.06028	4.7
125.46475	1.3
126.09167	21.9
136.07585	100.0
138.05507	9.0
138.09142	16.0
154.08629	25.2
154.09818	1.8
158.99734	2.1
164.07088	8.8
182.08141	36.2
182.11778	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	182.1542
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.01884	1.6
55.05520	8.7
56.32386	1.2
56.96569	2.9
57.07066	3.5
58.02967	35.2
66.14082	1.1
66.24516	0.9
67.05177	1.7
67.05513	26.8
68.05037	1.2
69.07076	66.5
70.06584	3.5
70.70861	3.6
74.06094	1.4
79.05499	8.5
80.67799	1.0
81.07061	21.3
81.41911	0.9
83.04994	1.8
83.08617	7.7
84.04510	5.7
84.08153	9.6
84.84078	1.0
86.06101	1.4
89.16531	1.0
91.05502	6.1
93.05772	1.1
93.07053	11.2
95.04971	3.1
95.08604	7.8
97.06525	4.3
98.06020	2.0
98.09708	2.5
98.97589	12.4
99.04483	1.5
99.97917	4.4
100.07628	7.0
105.07041	15.9
107.08607	19.9
108.08126	12.4
109.06543	2.1
109.10168	52.8
112.07586	3.0
114.09183	15.3
116.98637	5.8
117.98987	3.2
119.08633	1.7
121.10143	2.1
122.60036	1.0
123.11732	8.1
126.09172	13.8
126.12785	1.5
133.10150	31.6
134.99631	1.4
135.11703	20.2
136.07584	21.7
137.13321	1.1
138.12798	20.5
147.11690	5.1
151.11188	9.9
153.12758	13.6
154.08705	1.4
154.15962	1.2
160.14694	1.1
164.07108	2.2
164.14378	3.0
165.12799	2.5
171.41434	1.1
182.08179	2.9
182.15428	100.0
183.15759	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38203	2.7
69.38616	0.7
76.47766	0.4
78.16279	0.4
82.99841	5.9
83.00292	0.6
100.02492	0.4
101.00889	54.8
102.00947	1.1
119.01928	100.0
120.01984	2.2
121.02396	0.6
124.02451	3.1
134.40630	0.4
137.02965	17.8
142.03508	23.0
143.03622	0.8
160.04555	3.8
161.02962	9.4
179.04022	10.2
181.99347	0.4
184.04541	0.6
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
50.01516	0.5
55.05513	0.8
56.96576	2.8
57.03432	1.8
61.02912	1.5
62.26405	0.4
69.03427	2.1
70.03780	0.6
70.06590	1.3
70.10010	1.0
70.10387	1.1
72.08147	1.7
72.78865	0.4
73.02919	2.6
81.03415	0.6
82.01437	0.6
82.99852	5.7
85.02901	3.6
86.67657	0.5
95.76447	0.5
97.02908	2.2
98.97592	1.6
100.02441	0.6
101.00890	51.8
102.00996	2.2
103.00638	0.8
103.02374	0.5
107.22726	0.5
113.00883	0.7
114.00980	0.7
115.00656	1.0
115.02451	1.5
116.98663	0.6
117.03989	1.0
119.01932	100.0
120.02004	2.8
123.02948	0.6
124.02457	3.1
131.01932	1.3
132.02036	0.7
133.01631	1.0
133.03452	1.1
135.18925	0.7
137.02972	17.7
138.03128	0.5
138.09142	0.9
139.02374	0.5
142.03513	20.9
143.01907	2.9
143.03635	0.8
144.02042	1.8
145.01678	1.5
145.03503	0.5
155.01923	0.8
156.02132	1.2
156.10260	0.6
157.01717	1.1
157.03441	1.3
159.03192	0.7
160.04550	4.0
161.01453	0.6
161.02966	13.4
162.03195	0.6
163.02707	1.2
164.51775	0.5
173.03079	0.9
174.03133	1.0
175.02716	0.8
179.04042	8.7
180.53500	0.5
184.04620	1.6
184.09782	4.0
184.13278	0.6
185.03009	1.1
186.03204	1.0
187.02696	0.7
190.51367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05038	1.6
57.07099	0.3
58.06617	1.0
60.08171	19.4
61.73658	0.4
62.15458	0.4
68.05051	0.6
69.78484	1.9
70.06601	0.7
71.07383	12.1
72.08154	1.0
81.51546	0.3
84.04510	0.9
86.09715	100.0
87.10043	1.1
94.26967	0.4
96.04535	0.5
98.20838	0.7
98.98479	18.9
101.95047	14.2
102.96877	1.5
104.10763	4.0
108.08161	0.4
110.09702	1.3
119.96086	4.9
119.98211	0.5
120.97910	1.0
125.00020	80.0
137.97118	2.5
138.09158	3.9
142.97656	0.8
143.01091	0.7
156.10158	0.9
160.98700	0.9
184.07361	87.8
185.07680	0.8
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
52.23945	0.8
53.34708	0.6
55.05517	0.9
55.06296	0.7
56.05043	1.1
56.96568	1.0
58.06636	0.8
59.36436	0.8
60.08174	19.1
65.36033	0.7
68.05039	2.1
69.07059	1.1
70.06596	1.5
71.07388	11.5
71.95279	1.6
72.08170	4.1
84.04530	3.4
86.09718	100.0
87.10062	0.7
96.04527	1.5
98.20671	1.1
98.98483	20.0
101.95051	23.6
101.97224	1.0
102.96886	3.3
104.10775	5.6
108.08193	1.4
110.06017	1.0
110.09697	8.2
119.96089	12.2
120.97974	2.1
123.40895	0.6
124.07660	1.0
125.00024	85.0
137.73595	0.9
137.97131	7.4
138.08188	1.1
138.09155	16.5
138.98955	1.6
142.97650	1.5
143.03503	0.9
155.98209	1.8
156.10231	2.1
160.98743	3.0
161.04674	1.1
166.08667	1.0
169.09735	0.8
184.07368	94.5
184.09912	2.9
185.07771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.05513	0.5
56.05043	1.7
56.96571	1.5
58.06623	1.2
60.08170	19.6
60.95132	0.4
61.89169	0.4
68.05028	0.7
70.06589	1.1
70.58717	1.1
71.07380	12.3
71.95280	2.0
72.08171	1.2
82.06570	0.4
84.04506	1.2
85.02906	0.5
86.09714	100.0
87.10041	1.1
96.04498	0.6
98.98476	18.4
101.95040	33.4
101.97220	0.8
102.96882	1.3
104.10767	4.3
110.09694	2.6
119.01991	0.5
119.95273	0.7
119.96086	11.3
120.97913	1.7
124.07658	0.5
125.00016	82.4
137.97118	6.3
137.99904	0.6
138.08141	0.8
138.09143	6.5
138.98956	0.9
140.37434	0.4
142.97681	1.9
155.98186	1.5
156.10207	1.2
160.98747	2.9
166.02696	0.4
166.08669	0.6
178.99753	0.8
184.07361	94.2
185.07640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
53.64063	0.9
54.04304	1.0
55.05269	1.3
55.05518	18.3
56.05028	4.2
56.96554	4.3
57.03436	4.8
59.04991	4.0
67.05515	1.6
68.05032	15.2
69.03427	2.2
69.07053	1.6
70.06599	4.7
71.12714	2.2
71.95269	1.2
72.08159	100.0
73.06565	2.2
79.05510	1.3
81.07039	2.7
82.06575	4.9
83.04982	3.5
83.08643	1.5
84.04509	52.1
84.66531	0.9
85.02428	1.7
85.02911	26.6
86.09726	1.9
91.05441	1.6
93.07057	6.4
93.95869	0.9
94.06573	6.9
95.08622	4.4
96.04501	6.5
96.05298	1.5
96.08141	2.1
97.06510	1.2
98.97605	1.1
98.98465	1.2
99.04488	1.0
100.03998	1.6
100.11246	1.4
101.00864	2.9
101.95041	17.1
102.96845	2.0
108.08170	1.5
110.06049	1.8
110.09687	53.1
111.08041	1.0
111.10036	0.9
114.05565	1.4
119.01910	9.2
119.96068	6.0
120.08130	1.3
120.97874	1.1
124.04798	1.6
124.07563	1.6
125.06034	1.2
137.02942	1.9
137.97125	2.9
138.05531	1.3
138.09148	80.6
139.07584	1.3
142.03534	1.8
143.01898	2.1
152.24892	0.9
155.98186	1.8
156.10208	84.6
157.10545	1.4
161.02879	1.0
184.09708	47.1
184.13354	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	184.0972
Annotation	N-(cyclohex-1-en-1-ylcarbonyl)glycine
Peak:m/z	Relative Intensity
53.03965	1.1
55.01862	1.3
55.05261	1.7
55.05516	20.7
56.05038	4.7
56.96336	0.9
56.96575	10.2
57.03445	4.8
59.05013	5.3
60.95849	1.3
64.98183	0.8
65.03940	1.0
67.05506	2.0
68.04729	1.0
68.05042	12.1
69.03433	3.4
69.07079	6.9
69.59219	3.0
69.59631	3.9
70.06601	37.6
70.68537	0.9
72.08166	100.0
73.02945	1.0
73.06551	2.0
79.05489	2.3
81.03402	1.8
81.07064	2.6
82.02947	1.3
82.06612	4.7
83.03724	1.3
83.04974	4.2
83.08637	1.1
84.04515	51.3
84.08163	4.7
84.96040	1.5
85.02436	1.7
85.02917	27.5
91.05505	4.8
92.05802	2.7
93.07048	8.6
94.06591	9.9
95.05013	1.4
95.07362	5.8
95.08598	4.3
96.04506	6.2
96.05350	1.1
96.08140	9.3
97.02919	2.7
97.06528	1.5
98.06113	1.1
98.97585	8.0
100.04004	1.0
101.00892	5.3
101.95045	11.2
102.96908	4.9
108.08153	5.8
110.06032	1.9
110.09697	62.0
110.97562	2.6
111.10021	1.0
113.05979	1.8
116.98655	1.6
119.01939	16.4
119.04935	4.1
119.96075	2.5
120.05286	4.2
120.08126	8.5
120.97910	1.9
124.04829	1.1
128.98619	1.8
134.99660	1.0
136.06197	3.1
136.07555	1.3
137.02930	3.9
138.05478	1.6
138.09157	78.5
138.12778	2.2
139.09547	1.1
141.32330	0.9
142.03528	1.8
143.00134	1.9
143.01990	1.3
146.99574	1.4
147.04448	8.9
148.04747	10.3
148.07564	2.2
156.10217	74.1
158.99721	1.4
161.01146	1.2
161.02963	2.1
166.05009	1.7
166.08649	9.2
179.03989	1.9
184.09711	58.3
184.13264	2.9
184.16998	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.5
56.96563	0.6
57.03424	0.3
67.05501	0.2
68.05045	0.3
69.03436	0.3
69.07072	0.3
69.43810	1.5
70.06601	100.0
71.06931	0.5
72.04540	0.2
72.08173	0.4
79.05504	0.3
81.03429	0.5
81.07058	0.6
83.04983	0.3
84.04496	0.5
84.08133	1.3
85.02926	0.7
86.09712	0.3
89.03939	0.2
95.08620	0.2
97.02911	0.2
98.21529	0.3
98.97606	0.3
100.07627	0.4
102.99774	0.2
103.00661	0.2
109.06526	0.2
112.07628	0.3
113.88705	0.2
114.05552	1.2
121.00832	1.5
121.01642	0.3
122.06001	0.2
126.05578	0.6
126.12823	0.8
127.03975	0.3
128.07114	0.2
130.08687	0.3
131.08601	0.2
131.19556	0.2
138.09035	0.2
139.01807	1.0
140.07143	0.5
154.05130	0.2
158.08188	0.4
161.02933	0.2
163.01834	3.2
163.03044	0.3
168.13867	2.2
181.02887	2.9
186.07703	0.5
186.11278	0.3
186.14888	1.6
186.18666	0.2
187.07610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1332
Annotation	2,6-Dimethyl-3,6-octadiene-1,2,8-triol
Peak:m/z	Relative Intensity
53.03938	5.3
55.05520	9.9
56.96572	21.2
57.03436	3.6
58.06609	3.3
59.05003	5.2
60.04504	2.2
61.02937	2.4
65.03950	2.5
67.05515	12.6
69.03445	22.4
69.07082	21.3
70.06610	19.2
70.08615	3.2
70.09016	4.2
71.05001	23.9
71.06934	11.0
72.08154	4.6
72.93825	2.0
73.02934	3.5
73.06548	3.0
74.06053	1.9
74.97621	1.7
79.05501	25.1
81.02982	2.5
81.03429	26.9
81.07069	100.0
82.06612	2.0
82.07381	3.4
82.75334	1.6
83.04969	7.1
83.08625	6.3
84.04530	13.4
84.08164	12.3
84.96045	2.2
85.02914	11.6
85.06521	1.7
86.09711	2.8
88.02245	15.0
91.05473	8.3
93.07046	9.4
95.04979	6.8
95.08609	7.5
96.08120	4.1
97.02897	8.4
97.06560	8.8
98.09718	1.8
98.97595	11.8
99.04442	5.2
99.08101	2.8
100.07595	3.3
101.07153	2.2
102.00986	1.8
105.03427	3.1
105.07039	6.6
107.08601	10.9
109.02880	7.9
109.06490	4.5
109.10169	18.3
111.04450	3.0
111.08098	4.8
111.11722	5.2
115.05448	2.9
116.98606	5.8
117.06983	2.1
118.06546	6.0
119.01883	6.0
121.00810	2.8
121.10143	2.2
123.08056	3.3
123.11721	19.3
124.07641	2.2
125.09647	2.5
125.58100	1.5
126.05493	2.4
126.09161	3.4
127.03948	8.1
127.05870	2.4
127.12314	6.6
127.13142	2.4
128.02301	2.7
128.06175	2.0
128.07057	3.3
129.06934	2.0
130.08650	2.6
131.04933	2.9
131.08571	8.2
133.10136	6.4
134.99699	2.5
136.06273	2.8
137.02875	1.7
139.01790	1.9
139.11171	5.8
141.02267	2.0
141.05504	2.4
142.06561	1.6
142.08627	8.7
143.03806	3.6
144.05727	3.3
144.08087	3.3
144.09297	1.9
145.10158	2.6
146.06042	7.6
146.91867	1.9
147.04512	2.6
151.11230	8.8
157.12271	3.2
158.99606	2.9
159.06970	5.2
159.08113	4.7
161.04843	3.7
162.03047	2.1
164.02171	3.6
169.05052	2.3
169.09756	5.6
169.12218	4.6
170.06140	3.1
170.08119	2.0
170.11801	7.3
173.00858	4.9
177.00748	3.8
181.02853	2.0
182.03230	5.3
187.02510	2.5
187.03926	4.4
187.06032	5.9
187.07629	9.0
187.11133	5.4
187.12811	3.0
187.14597	6.4
188.07152	2.8
188.09077	2.3
188.12817	2.4
205.03838	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03951	1.5
55.01876	0.8
55.05511	2.2
56.96556	0.7
57.03445	0.7
57.07081	3.9
61.79534	0.6
65.03956	0.8
66.69733	0.6
67.05512	8.2
69.03439	3.7
69.07066	2.7
71.05013	0.9
71.35963	0.9
71.95785	0.6
79.05507	5.9
81.03426	7.3
81.07069	6.1
82.03770	0.6
83.08627	2.4
83.24944	0.6
84.04501	1.5
85.02902	1.6
85.08517	0.8
87.79947	0.6
88.02222	6.5
91.05492	18.2
93.07045	5.8
95.04998	3.0
95.08620	3.0
96.59805	0.6
103.05478	2.0
105.07043	26.6
106.96203	0.6
107.08602	2.7
109.02906	1.0
115.05430	3.6
116.06244	1.3
117.07034	20.0
119.08593	19.6
121.06549	0.8
121.10173	1.6
127.03967	1.5
128.06226	3.7
128.07053	1.1
129.07030	11.8
130.07797	7.0
131.04910	0.8
131.08582	51.3
131.48111	0.8
133.10129	3.8
141.06999	3.0
142.07809	5.7
143.08563	10.5
143.38889	0.8
144.09358	11.8
145.06502	4.2
145.10136	100.0
146.10670	0.8
153.06975	1.4
154.07770	5.6
156.34094	0.6
157.06502	1.1
157.10132	9.4
158.07253	1.5
158.10881	4.4
159.06932	0.8
159.08183	3.0
159.11710	32.1
169.10117	5.3
172.08847	2.1
172.12509	3.9
183.35054	0.8
185.13184	0.8
187.04256	1.0
187.06131	0.9
187.11223	15.0
187.14841	74.4
187.22511	1.0
188.09349	0.9
188.15163	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03952	0.9
55.05523	2.1
56.96567	5.3
57.07090	4.7
60.04524	0.6
65.83346	0.5
66.64226	0.5
67.05517	2.4
68.16882	0.6
69.03439	2.7
69.81946	0.5
70.78303	1.8
71.08665	0.8
79.05492	3.2
80.05022	0.5
81.03411	4.2
81.07056	4.2
83.05019	1.0
83.08624	1.3
84.04515	2.0
84.08148	1.3
85.02911	1.6
85.08485	0.6
85.54477	0.6
86.06027	0.6
88.02219	5.7
91.05479	4.9
93.07070	1.3
95.04996	1.1
95.08623	1.2
97.02924	0.9
98.97665	0.7
99.04489	0.6
100.07610	0.7
103.05455	1.0
104.99290	1.8
105.03382	0.7
105.07037	11.7
107.08618	2.9
109.02893	0.7
113.29546	0.6
115.05444	1.7
116.06278	0.9
117.07027	6.4
119.08584	9.5
119.97334	1.5
127.03944	1.4
127.13136	1.1
128.06229	4.1
128.07079	1.1
128.97852	1.6
129.07013	7.0
130.07820	6.0
131.04938	0.8
131.08582	12.4
131.48077	0.7
132.57765	1.1
133.10152	2.3
133.17545	0.5
137.98383	0.9
140.48691	1.2
141.06990	2.1
141.10210	1.0
142.07761	1.1
143.08571	10.3
144.05766	0.9
144.09384	5.7
145.06519	1.9
145.10135	100.0
146.10503	2.3
154.07803	2.4
157.06494	0.9
157.10146	8.3
158.07283	1.2
158.10966	4.3
159.04379	0.8
159.06934	1.1
159.08104	2.0
159.11710	15.9
169.10129	6.1
170.10880	1.0
172.08862	5.8
172.12483	9.1
173.00822	0.9
183.40834	0.6
187.03905	2.3
187.07561	2.6
187.11223	16.1
187.14832	52.9
187.22501	1.4
188.15143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39317	1.4
73.44482	0.4
84.04517	0.8
90.10624	0.4
91.05486	5.1
95.54100	0.4
103.05442	0.7
115.05455	6.6
116.04897	0.4
117.05750	1.6
117.07025	4.4
118.06551	74.3
119.06888	0.8
132.08084	0.8
142.06534	6.6
143.07318	12.9
144.04442	1.1
144.08096	25.5
146.06020	100.0
147.06421	0.6
155.06026	1.2
160.07573	0.6
170.06015	8.7
188.07086	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.37768	0.5
63.21751	0.5
66.63700	0.5
70.98715	1.2
80.85983	0.5
87.07583	0.5
91.05489	4.4
103.05501	0.6
115.05459	6.7
117.05780	1.8
117.07029	4.6
118.06551	72.6
119.06869	1.0
142.06537	5.9
143.07318	12.6
144.04460	1.1
144.08098	24.7
145.06427	0.8
146.06020	100.0
147.06346	0.9
155.06044	0.8
160.07649	1.0
170.06049	8.4
174.48325	0.6
188.07079	20.1
197.13972	0.6
199.68398	0.5
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
53.03936	1.7
55.01859	1.2
55.05515	6.0
56.96549	3.1
57.03429	1.0
59.29028	0.9
61.02914	0.8
64.33752	0.9
67.05511	5.2
69.03431	14.8
69.07057	3.3
69.40886	5.6
70.06592	1.5
71.04993	1.1
72.08147	1.3
79.05489	4.8
81.03390	2.1
81.07048	4.3
83.04999	5.1
85.02898	2.5
91.05483	14.4
93.07035	4.3
95.04972	2.9
95.08542	1.4
97.06561	1.3
98.97576	3.0
99.04450	1.4
103.05488	1.5
103.64944	0.9
105.03407	1.5
105.07036	27.9
106.96555	1.0
107.04948	1.0
107.08572	6.4
108.45106	0.8
109.06519	2.2
111.04485	1.0
115.05450	2.2
116.98586	1.5
117.07029	4.8
119.04948	1.2
119.08590	51.5
120.08887	1.0
121.06493	2.4
121.10150	2.9
123.08080	0.8
128.06236	5.3
129.03313	1.1
129.05484	2.1
129.06992	7.1
130.07771	3.0
131.08578	14.5
133.06483	5.5
133.10132	23.8
134.99707	1.0
135.08061	3.6
141.07030	4.9
142.07761	2.2
143.08566	12.6
145.06473	4.5
145.10127	12.6
146.07280	2.3
146.10849	2.6
147.06915	0.7
147.08058	25.8
147.11691	37.7
148.13287	1.0
155.08574	2.0
156.09358	32.3
159.08060	15.2
159.11687	5.3
160.05228	2.6
160.08849	7.6
161.05994	7.3
161.09627	15.3
161.13255	24.3
165.26057	0.9
171.11693	35.2
172.04024	1.1
173.09579	1.5
174.06781	2.5
174.10414	27.7
189.05354	5.0
189.09137	9.5
189.12744	100.0
190.05081	1.0
190.13075	1.9
207.02910	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.7
56.96577	1.2
59.05038	0.8
67.05522	2.1
68.84429	1.0
69.03439	8.9
69.07050	1.0
71.46750	2.1
79.05502	3.1
81.03434	1.8
81.07050	2.5
83.04958	3.0
85.02897	1.9
86.09711	1.0
89.03894	0.9
91.05486	8.2
93.07043	1.5
95.04951	2.8
95.08607	1.1
102.37882	0.9
105.07040	17.4
107.08591	3.9
109.06542	0.9
111.04404	1.3
115.05437	3.8
116.06190	1.2
117.07016	5.1
119.04928	1.3
119.08588	30.1
121.02850	1.0
121.06480	1.9
121.10140	1.4
128.06224	4.9
129.05476	2.0
129.07008	6.7
130.07779	4.3
131.05029	0.9
131.08568	9.5
133.06485	4.9
133.10133	12.6
135.08066	2.6
141.07002	9.4
142.07799	1.1
143.08568	8.3
144.09378	1.4
145.06422	2.4
145.10132	14.8
146.07301	1.5
146.10797	1.4
147.04448	1.2
147.08066	11.8
147.11705	22.3
155.08566	2.6
156.09361	51.2
157.09724	1.2
159.08063	11.4
159.11719	12.3
160.05232	1.4
160.08833	4.7
161.05992	4.9
161.09659	5.1
161.13252	10.4
171.11705	63.5
172.12000	1.6
173.09592	1.4
174.06747	3.7
174.10428	20.0
189.05507	5.5
189.09227	9.1
189.12756	100.0
190.13068	2.5
194.03766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38155	0.6
52.97076	0.6
53.03934	1.6
55.05520	5.5
56.96554	1.4
57.03444	0.8
59.04987	1.0
61.02922	1.8
65.03923	1.2
67.05495	3.4
69.03436	10.2
69.07064	3.2
71.05027	0.9
71.54825	1.5
79.05497	5.2
81.03418	1.4
81.07058	4.8
83.04993	6.5
85.02909	0.8
91.05489	15.6
93.07053	3.6
95.04974	2.3
95.08595	1.0
98.97569	1.0
99.04484	2.3
105.07044	23.2
106.96580	1.0
107.08624	5.6
109.06545	6.9
111.04463	1.9
115.05470	4.3
115.06157	0.8
116.06236	1.4
116.98637	0.8
117.04076	0.9
117.07017	4.7
119.04929	0.7
119.08597	32.5
121.06515	3.0
121.10108	2.0
124.97635	1.6
128.06218	5.6
129.03374	1.0
129.05539	3.8
129.07057	4.4
130.07858	4.0
131.04930	1.0
131.08575	19.6
133.06496	2.6
133.10144	11.5
135.08112	1.3
138.06015	3.3
138.56168	1.4
141.07025	4.7
142.07832	2.1
142.98714	1.0
143.04837	0.9
143.08580	10.2
145.06528	2.7
145.10141	12.8
146.07265	2.3
146.10954	6.2
147.06679	1.1
147.08061	13.5
147.11705	44.5
149.56827	1.4
155.08583	1.5
156.09367	22.5
157.08617	2.2
157.58798	1.0
159.08073	19.0
159.11708	2.9
160.05208	5.5
160.08844	2.9
161.05960	9.8
161.09592	5.1
161.13272	8.2
166.09166	6.4
166.59259	1.5
168.59381	0.8
171.08104	1.5
171.11688	20.7
172.53288	0.7
173.09642	3.8
174.06837	1.6
174.10426	28.2
177.59975	2.2
178.10097	0.9
189.05396	4.5
189.09180	11.1
189.12756	100.0
189.16289	4.2
190.13039	1.4
207.03105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45008	1.2
55.01848	1.4
55.05502	4.9
55.79807	1.3
56.96553	3.7
61.02924	1.5
67.05476	2.3
69.03431	13.3
69.07054	2.0
70.06605	2.0
71.04997	1.9
71.25023	2.8
72.08112	1.3
73.98460	1.1
79.05473	3.4
81.07043	2.3
83.04958	4.9
85.02898	2.9
86.09688	5.3
90.01845	1.3
91.05476	14.1
93.07064	3.2
95.04987	2.5
98.97593	1.7
99.04475	1.9
103.05469	2.7
105.07037	20.8
107.08585	3.7
109.06517	1.3
115.05451	6.1
116.06272	1.5
116.98682	1.5
117.07047	7.1
119.04911	2.5
119.08589	35.6
121.06496	1.6
128.06244	7.2
129.03362	2.4
129.05478	3.4
129.06996	8.7
130.07770	4.6
131.04961	1.5
131.08553	10.7
133.06544	5.9
133.10141	11.7
135.71750	1.3
141.06995	12.6
143.08556	14.2
144.09389	2.5
145.06480	3.3
145.10138	27.1
146.10886	2.4
147.06520	1.2
147.08051	8.5
147.11699	28.3
155.06097	1.6
155.08539	3.7
156.09352	64.2
158.17393	1.2
159.08112	7.6
159.11711	18.0
160.05173	3.2
160.08858	2.0
161.06036	6.6
161.09657	7.9
161.13264	4.8
162.03067	1.2
171.11707	78.3
172.12154	1.7
174.06741	3.6
174.10445	11.8
189.05490	7.7
189.09164	10.8
189.12740	100.0
189.16368	3.4
190.12985	1.4
207.02858	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
56.96572	6.3
59.04969	1.0
64.05844	1.1
67.05507	2.3
69.03429	9.6
70.06575	3.5
70.68201	1.7
70.68552	2.3
71.04975	1.0
79.05492	2.5
81.07051	1.8
83.04961	2.9
85.02896	2.2
86.09702	2.0
91.05475	9.1
93.07053	1.3
95.04921	1.3
97.02907	1.1
98.97580	2.1
99.04446	1.6
103.05495	1.1
105.07039	17.0
107.08575	3.3
109.06499	1.6
112.12099	0.9
115.03870	0.9
115.05422	2.9
116.98611	1.5
117.07024	4.8
119.07807	1.7
119.08589	23.1
128.06232	6.1
129.05463	1.2
129.07002	6.3
130.07771	4.5
131.08588	7.4
133.06479	2.3
133.10173	7.3
141.06989	10.7
142.07721	1.1
143.08563	6.8
144.09311	2.9
145.06456	3.0
145.10130	21.0
146.10861	2.1
147.08089	8.9
147.11691	17.9
150.99139	1.2
155.08559	3.3
156.09354	68.0
158.07176	1.3
159.08063	7.9
159.11697	16.2
160.05251	1.5
160.08812	2.0
161.05977	3.1
161.09544	4.9
161.13246	3.0
163.30994	1.0
170.15080	1.1
171.11696	80.9
172.11967	1.2
174.06767	2.8
174.10394	12.3
189.05447	4.1
189.09140	6.7
189.12743	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	190.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
56.96571	1.4
57.03425	0.4
57.07069	1.1
58.99865	0.6
67.05510	0.3
69.03423	0.5
69.23019	1.0
69.23454	0.9
71.95269	0.2
77.00927	0.3
81.03437	1.0
85.01372	0.4
88.70279	0.2
97.01397	0.3
98.97590	3.0
100.02488	0.9
101.00881	0.7
102.00963	0.3
103.02429	0.8
104.02546	0.5
105.00383	0.3
111.02966	0.3
113.00867	0.3
115.02450	1.1
116.98648	2.8
118.03556	0.2
119.01953	1.8
120.02004	0.9
121.01544	0.3
121.03507	0.4
122.03641	0.3
126.70027	0.2
127.02420	0.3
128.02023	0.2
129.03992	1.1
130.96271	0.2
131.00223	0.5
131.01894	0.5
133.03476	0.6
134.99657	1.5
137.03003	0.6
138.03134	0.2
139.02414	2.0
139.50934	0.7
140.00812	0.6
141.04008	0.3
142.03477	0.4
143.01941	0.5
144.04977	0.2
145.03482	1.7
146.03006	0.2
147.01299	0.2
147.05016	0.6
148.05151	0.6
148.51509	0.4
148.97382	0.3
149.01045	1.7
150.51717	0.2
151.01781	0.5
151.51649	0.4
157.03476	5.3
159.01399	0.4
159.05028	0.4
160.02371	0.3
161.02995	0.4
167.01903	11.2
167.05637	0.4
167.59682	0.5
168.01964	0.2
168.05072	0.5
172.02937	0.2
173.02997	0.4
175.04550	0.6
177.01003	0.5
179.10507	0.8
180.05057	0.4
185.02971	100.0
186.03151	3.1
187.03300	0.4
190.02104	0.2
190.03542	1.1
190.06284	0.8
190.08617	0.4
199.04515	0.7
199.50220	0.2
203.04027	18.1
204.04167	0.6
208.04570	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	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
56.96568	0.4
59.91523	0.2
70.98114	0.2
70.98430	0.2
85.84775	0.2
89.03894	1.2
98.56316	0.2
98.97591	0.4
116.04991	3.0
121.02851	0.2
125.05688	0.2
129.08638	0.2
134.05974	0.3
136.05159	0.3
142.67131	0.2
144.04442	2.2
158.99747	0.2
162.05510	100.0
163.05858	1.5
164.05980	0.2
190.04997	32.3
191.05333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1075
Annotation	Swainsonine N-oxide
Peak:m/z	Relative Intensity
53.03944	1.6
53.87857	0.6
55.01871	2.4
55.05518	0.8
56.05035	1.9
56.96571	20.2
57.03435	8.5
57.07078	7.2
60.04530	7.9
60.08170	0.7
61.02921	4.4
67.05506	14.6
68.00250	0.8
69.03434	6.3
69.07076	1.1
70.06596	1.0
70.11461	3.2
71.01364	0.8
71.04992	2.6
71.95252	1.8
73.02921	8.9
74.25446	0.7
79.05517	0.7
81.01040	1.1
81.03423	4.7
83.00793	1.5
83.08676	0.8
84.04521	0.7
84.08149	52.9
84.96047	1.8
85.02913	12.7
85.06548	100.0
86.06902	0.7
87.04464	1.3
89.00807	2.1
90.01560	1.0
95.00778	1.2
95.04982	2.0
96.01529	1.4
97.02906	10.2
97.96839	0.6
98.01322	1.1
98.20896	0.8
98.97590	35.1
99.04469	1.9
101.00789	2.8
102.09187	72.5
102.53190	0.6
104.01286	1.5
105.07056	0.9
108.01498	0.9
109.02895	1.7
110.01286	5.9
110.97574	17.0
112.07642	3.6
112.99138	1.4
113.05997	1.0
116.01302	1.8
116.98631	13.1
119.01794	9.2
120.08179	1.2
121.02886	5.7
122.01297	0.8
123.02085	0.9
125.01817	1.6
126.09148	1.3
127.03954	2.9
128.02333	3.0
128.98610	12.2
130.08649	2.1
131.00204	2.9
131.01826	1.5
131.07047	1.2
133.15471	0.7
134.01317	1.0
134.99667	3.3
138.02504	0.8
139.51497	1.0
140.02325	2.4
140.98607	1.0
143.00203	2.6
143.01810	0.7
144.10207	62.9
144.98096	0.9
145.01692	1.1
146.02325	2.4
146.99655	6.5
147.85385	0.7
148.09698	18.6
149.01247	4.6
152.02361	1.7
155.02840	1.5
156.03426	1.1
158.99678	6.6
161.01295	2.8
162.05498	4.7
170.99655	6.1
173.01265	1.1
174.04375	1.3
177.00739	4.1
182.99715	2.2
185.01375	1.2
185.03023	1.8
186.04391	1.1
189.00731	6.1
190.03572	0.7
190.05063	2.2
190.08711	1.1
190.10753	2.8
190.13048	0.9
191.14326	1.4
201.00711	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	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99084	0.6
55.05520	0.8
56.96562	2.1
57.07080	22.6
59.99121	4.2
62.99075	0.7
65.03953	0.6
67.05495	0.7
68.09298	0.5
68.50453	0.4
69.03436	0.6
69.07072	0.5
70.17965	0.8
71.04974	0.8
78.00160	39.4
79.05492	1.2
81.07053	1.1
84.08143	1.1
85.06551	0.8
86.09219	0.7
86.09711	9.7
88.02223	0.6
91.05465	1.2
92.01712	1.3
93.07040	1.3
94.06585	0.7
95.04975	0.9
95.08632	0.7
98.21403	0.7
103.05454	1.3
105.07015	1.2
106.07347	0.6
107.08589	1.3
108.50368	0.4
109.10120	1.0
109.99685	0.5
115.05485	0.7
121.10134	0.7
130.08676	0.6
131.08598	1.5
133.10138	1.3
134.06363	45.5
135.08047	3.1
145.06505	1.2
145.10133	0.6
147.04381	0.9
148.05157	0.7
148.07883	3.6
149.02347	1.7
149.09596	0.6
162.05493	1.1
162.09137	0.9
163.07503	1.0
173.13327	1.6
190.06149	1.6
190.12617	100.0
191.03397	1.2
191.07112	1.3
191.10716	0.6
191.12946	1.0
191.14320	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	191.0704
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
51.02379	1.0
52.67369	0.9
53.03941	3.5
55.01876	2.0
55.05509	1.7
56.96560	4.1
62.81985	0.9
65.03944	1.2
66.04717	2.2
67.05511	4.7
68.99793	1.1
69.03440	6.0
69.07086	2.4
70.99310	1.0
70.99619	1.4
71.05016	1.5
76.39088	1.0
76.97031	0.9
79.05496	10.5
81.07061	3.3
82.26305	0.9
83.04974	2.6
83.08621	1.4
83.68706	0.9
85.02902	1.2
85.06557	1.3
87.43919	0.9
89.03928	1.6
90.04703	3.4
91.05492	16.1
92.06255	1.3
93.07052	5.4
95.04960	3.5
95.08630	4.6
97.06505	1.5
98.97574	3.6
102.04697	6.6
103.05482	100.0
105.03404	10.0
105.04469	1.6
105.07050	18.4
107.04966	8.9
107.08615	12.7
109.06515	3.0
109.10188	2.4
110.97623	1.5
112.99195	1.0
115.05476	8.8
116.06266	1.4
117.07025	8.3
118.04173	30.6
119.01697	2.6
119.04956	9.6
119.08585	7.7
119.23955	1.0
120.05740	4.1
121.06530	3.7
121.10175	8.2
123.01874	1.0
123.08078	3.1
123.11688	2.5
128.98634	1.6
129.07030	2.3
130.04172	7.8
130.07866	1.1
131.00201	1.1
131.04945	58.5
131.08577	18.1
131.46666	0.9
132.05725	5.7
133.02864	21.4
133.06525	6.9
133.10144	13.6
134.92929	0.9
135.04497	1.6
135.08076	13.2
135.11702	1.1
136.06194	1.1
143.08586	2.4
143.49991	1.0
144.09305	1.7
145.06459	4.0
145.10139	12.7
146.02626	1.0
146.03658	6.9
147.04443	4.0
147.08052	1.4
147.11685	3.8
148.05209	56.2
149.01305	1.6
149.05994	1.7
149.09639	7.4
149.13281	2.9
157.53612	1.1
158.03656	1.0
158.10864	4.4
159.04509	1.3
160.05083	2.2
161.05937	2.0
161.09590	1.6
163.07564	74.2
163.11264	1.8
163.14812	1.3
170.99597	0.9
173.05989	5.3
173.09682	3.3
173.13290	12.7
176.04692	8.2
191.07053	53.7
191.10686	9.4
191.14320	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
53.94085	1.1
55.01882	6.8
55.05299	0.9
55.05520	9.2
56.96571	7.1
57.03426	2.6
57.07059	3.1
59.05005	1.1
65.03934	2.9
67.05505	13.6
68.89050	0.9
69.03431	14.7
69.07068	10.9
71.01312	1.3
71.04992	4.2
71.55099	1.7
79.05499	25.5
81.03418	2.4
81.07059	17.0
83.04994	15.2
83.08615	4.4
85.02898	1.9
85.06530	2.6
89.03900	1.8
89.94080	1.0
91.05486	34.1
93.07050	27.3
95.04984	12.1
95.08620	10.7
97.06532	9.8
98.97565	3.2
100.02472	1.6
102.04676	2.4
103.05474	23.7
105.03404	3.2
105.04488	1.9
105.07037	28.1
106.13473	1.0
107.04967	33.2
107.08606	41.7
109.02853	2.6
109.06530	10.4
109.10177	7.5
111.04440	2.2
111.08077	2.3
115.05457	6.1
116.06234	1.4
116.98628	2.2
117.03371	1.7
117.07021	17.1
118.03437	1.3
118.04167	7.4
119.04926	3.3
119.08584	20.7
120.05728	1.7
121.02795	1.3
121.06504	12.5
121.10150	28.1
121.29521	1.0
123.04571	1.1
123.08092	7.2
123.11710	6.9
128.06256	1.5
129.07005	8.9
130.04124	3.7
130.07823	4.9
131.00211	1.7
131.04944	18.8
131.08582	34.3
132.05685	3.3
133.02841	4.5
133.06473	4.5
133.09111	2.0
133.10135	38.2
135.04379	2.8
135.08066	25.6
135.11703	10.7
137.09593	2.8
143.05444	1.5
143.08563	6.2
144.09354	1.3
145.03523	2.2
145.06503	11.0
145.10127	31.9
145.11273	1.7
146.03595	1.4
146.10455	1.2
147.04422	1.9
147.08099	5.5
147.11682	13.9
148.05197	10.7
148.08861	1.5
149.01233	4.5
149.05972	5.6
149.09627	16.4
149.13290	9.8
153.06970	1.7
155.06026	1.1
155.08568	10.1
158.07332	1.4
158.10915	8.2
159.04477	1.1
160.05138	2.3
161.09592	3.1
163.07533	19.0
163.11224	14.5
163.14786	2.1
168.05045	1.9
171.06827	1.3
173.06020	3.3
173.09644	28.2
173.13275	30.9
174.13606	1.5
175.11282	1.2
176.04684	9.3
176.11961	2.1
189.00671	1.0
191.03406	20.6
191.07013	33.6
191.10680	35.2
191.14310	100.0
192.10156	1.7
211.12218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01857	1.5
55.05517	6.7
56.96559	1.7
57.07064	2.4
58.74439	0.9
58.80628	0.9
59.80450	0.9
60.05409	1.0
60.19010	0.9
65.03922	1.8
67.05501	9.4
69.03435	17.2
69.06784	0.9
69.07069	10.5
70.66268	2.1
70.66602	1.8
71.04965	2.0
77.20126	0.9
79.05061	1.3
79.05492	14.1
81.07061	9.7
83.04987	10.1
83.08616	3.0
85.06517	3.0
91.05485	27.1
93.07044	14.6
95.04945	3.9
95.08611	15.3
97.06538	6.2
98.97575	2.4
103.05465	8.6
105.03434	1.2
105.04481	1.3
105.07034	31.1
107.04990	2.2
107.08597	31.4
109.06519	9.4
109.10133	4.0
111.08092	2.7
115.05439	2.9
116.06222	3.1
117.07009	12.4
118.04167	1.5
119.06131	1.2
119.08580	27.3
120.08105	3.7
121.06526	7.4
121.09325	1.9
121.10154	29.9
123.08055	5.6
123.11662	1.5
128.06213	3.6
129.07027	12.6
130.07785	3.6
131.04939	5.6
131.08571	39.5
133.06497	1.4
133.07584	1.4
133.09254	1.5
133.10141	18.3
133.32581	1.0
135.08054	24.9
135.11646	5.9
136.06151	1.1
137.09607	2.1
143.08557	18.1
144.09334	5.9
145.06480	1.9
145.10132	25.7
147.05475	1.3
147.08031	3.1
147.11697	13.7
148.05202	3.0
149.09628	16.7
149.13257	9.9
150.10402	1.8
155.08430	1.0
158.10927	18.6
160.05067	9.3
161.09636	4.6
163.07541	4.9
163.11211	6.2
163.14839	5.3
167.61183	1.1
173.05984	2.4
173.09615	4.5
173.13266	41.0
176.04778	1.4
176.12006	3.5
191.07027	4.4
191.10722	11.0
191.14308	100.0
192.07687	2.4
206.90669	1.0
210.88812	1.1
211.04982	1.2
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
50.55431	1.7
55.05505	5.2
57.03434	2.6
67.05513	14.1
68.29478	1.8
69.03420	4.6
69.07078	11.2
69.56051	7.6
69.56452	4.5
71.05013	9.0
79.05516	10.5
81.07083	10.9
83.04971	3.4
83.08626	5.3
85.06547	4.0
86.32736	2.3
91.05486	26.2
93.07050	12.3
95.04982	19.6
95.08630	13.4
97.06549	9.5
105.07043	38.6
107.08604	29.7
109.06541	22.9
109.09454	3.1
109.10166	36.4
115.05412	3.4
117.07019	7.1
119.08608	16.1
121.06530	5.8
121.10158	16.8
123.08091	9.0
123.11700	4.2
129.07028	5.6
130.07777	4.4
131.08583	52.7
133.10149	100.0
135.08076	46.3
135.11676	2.2
143.08568	6.7
144.09390	2.4
145.10130	21.7
147.11685	11.5
149.09653	9.7
149.13251	15.7
150.10393	2.3
152.60936	1.9
158.10924	13.3
163.11148	3.2
173.13293	57.1
173.53311	2.2
176.11981	3.0
185.12799	2.0
191.10719	3.7
191.14328	63.3
200.87480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15689	1.3
53.03933	2.3
55.01864	3.1
55.05507	4.5
56.96555	3.5
57.03416	1.7
61.48557	1.2
61.78968	1.1
65.03938	1.2
67.05497	4.5
69.03441	10.3
69.07088	6.4
69.17172	12.1
71.04993	3.6
76.16663	1.1
77.03904	1.7
79.05117	1.4
79.05506	13.7
81.03421	1.5
81.07049	5.1
83.04990	10.9
83.08630	1.2
85.06532	1.3
91.04961	1.9
91.05495	23.7
93.07068	10.7
95.04967	4.1
95.08604	5.4
97.06517	5.1
98.97598	1.7
103.05480	20.2
105.03397	2.0
105.07040	27.8
107.04963	4.9
107.08608	38.8
109.06537	5.7
109.10156	2.3
110.97569	1.3
115.05459	4.0
116.06248	2.8
117.07038	8.7
118.04185	5.3
119.04944	2.6
119.08603	15.0
120.05705	1.1
121.06543	6.6
121.10152	16.2
123.08125	5.4
123.11693	2.5
129.06993	4.7
130.04158	1.5
130.07808	3.2
131.04951	15.1
131.08588	53.5
132.05724	1.1
133.02861	4.2
133.06535	2.6
133.10147	58.5
135.04413	2.4
135.08076	11.8
135.11682	2.1
143.08565	5.1
145.06494	5.0
145.10149	24.1
147.08063	3.9
147.11717	7.7
148.05217	11.6
149.09659	10.3
149.13261	9.5
155.08539	1.5
158.10951	8.9
160.05061	3.5
161.09662	3.9
163.07559	20.1
163.11151	3.1
173.05998	2.0
173.09656	7.6
173.13283	27.9
173.14697	2.5
176.04674	1.5
176.11974	2.3
182.07875	1.2
188.30879	1.2
191.07077	13.4
191.10690	20.6
191.14328	100.0
204.83244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
53.69753	1.8
55.01877	3.7
55.05518	9.3
56.96549	6.8
57.03434	2.7
57.07077	3.2
62.75792	1.6
66.04726	2.3
67.05504	9.9
69.03433	17.8
69.06731	1.7
69.07063	11.2
69.33472	5.3
69.33896	7.1
69.98143	1.7
71.04984	4.8
74.29144	1.5
79.05501	16.5
81.03407	2.8
81.07077	13.3
83.04991	12.2
83.08624	2.5
85.02875	1.9
85.06527	4.7
91.04971	1.9
91.05486	25.8
93.07051	18.4
95.04971	6.5
95.08622	12.3
97.06515	7.1
97.46395	1.9
98.97591	6.9
102.04705	3.9
103.05476	41.5
105.03378	4.8
105.06371	3.1
105.07043	37.1
107.04967	8.6
107.08603	46.7
109.06524	7.0
109.10160	11.2
110.97608	3.0
111.08073	2.8
115.05434	4.7
117.07016	9.3
118.04184	16.1
119.01756	1.7
119.04926	5.3
119.06034	1.9
119.08607	17.8
121.06499	7.8
121.10159	26.2
123.08105	7.8
123.11687	6.4
128.98590	3.5
129.07028	4.5
130.04131	5.2
130.07776	2.7
131.04950	28.0
131.08582	41.0
132.05681	3.0
133.02824	5.9
133.06416	3.6
133.10139	62.1
135.08067	24.1
135.11684	8.8
143.08559	10.2
144.09407	3.4
145.06509	4.3
145.10143	21.5
146.03615	3.9
147.04457	3.6
147.08037	2.9
147.11673	15.3
148.05197	26.6
149.01233	4.7
149.09624	10.6
149.13283	16.5
150.05511	1.8
158.10944	13.8
158.99619	2.3
160.05103	8.8
161.09592	6.4
163.03821	2.0
163.07567	34.6
163.11185	3.0
163.14812	4.5
170.99754	2.1
173.05974	7.5
173.09665	3.0
173.13278	43.9
176.04726	10.0
191.03407	4.8
191.05383	3.2
191.07039	38.0
191.08817	2.5
191.10678	7.3
191.14317	100.0
192.07581	2.2
192.10223	2.4
192.14638	2.4
208.67253	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03927	2.1
55.05497	5.0
57.03418	2.3
57.07077	2.2
59.05003	1.8
60.72153	1.5
67.05496	7.1
69.03455	9.4
69.07075	8.2
70.88707	2.8
70.89037	2.7
71.04987	4.6
79.05493	10.0
81.07058	8.2
81.46524	1.5
83.05016	7.9
83.05396	1.7
83.08616	3.8
85.06539	3.6
91.05495	16.9
93.07064	13.0
95.04968	3.4
95.08615	11.0
97.06529	6.1
103.05497	11.8
105.06390	2.3
105.07050	34.3
107.04960	3.3
107.08611	34.5
108.05718	1.7
109.06520	11.3
109.10170	15.7
115.05440	2.6
116.06268	2.3
117.07015	5.0
118.04168	2.9
119.04863	1.9
119.08581	19.7
119.51031	1.7
121.06487	4.7
121.10165	18.6
123.08064	7.4
123.11703	2.8
129.07002	4.9
131.04936	4.3
131.08583	38.2
133.10147	100.0
135.08070	27.2
135.11679	3.8
143.08571	9.4
144.09326	3.2
145.10147	15.9
147.11728	14.7
148.05188	4.7
149.09647	7.8
149.13286	19.9
158.10936	11.5
161.09647	4.4
163.07538	4.7
163.14807	3.7
173.13283	49.5
176.11949	2.0
182.28841	2.0
191.07045	4.8
191.14314	97.6
197.73534	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59116	0.8
52.88337	1.1
53.13932	0.8
55.01853	0.8
55.05520	4.3
55.35630	0.8
57.03431	0.8
57.07077	1.6
58.03852	0.9
58.30319	0.9
67.05508	4.5
69.03432	12.3
69.07069	6.6
69.43683	7.2
71.05000	5.0
79.05489	5.7
81.07045	3.0
83.04995	11.7
83.08616	1.4
85.06534	2.9
91.05489	10.5
93.07032	6.9
93.78719	0.9
95.04955	3.2
95.08619	7.3
97.06557	5.0
103.05474	2.5
105.07037	18.2
107.04985	2.0
107.08601	27.5
109.06504	4.2
109.10134	3.7
111.08060	1.5
115.05431	1.2
117.06995	2.7
118.04250	0.9
119.08595	12.2
121.06522	4.6
121.10144	17.8
123.08109	6.3
123.11691	1.4
125.01820	0.9
126.89940	0.9
128.16388	0.8
129.06995	2.5
130.07713	0.9
131.04959	1.4
131.08580	19.9
133.10136	53.2
135.08054	15.9
135.11650	1.7
136.08919	1.1
143.08589	5.5
144.09346	1.4
145.10104	8.5
147.08115	0.9
147.11687	7.3
148.05197	1.5
149.09596	3.3
149.13252	7.8
158.10921	9.8
161.09621	6.1
163.07533	2.3
173.13278	29.4
176.11938	2.2
191.03342	2.2
191.07059	2.8
191.14314	100.0
198.78426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01859	4.6
55.05499	4.7
56.96553	1.9
57.03420	1.1
57.07058	2.3
59.29953	1.0
65.29747	1.0
67.05502	6.9
69.03067	1.5
69.03423	12.3
69.07072	12.9
70.78522	2.2
70.78935	2.6
71.04982	1.9
71.67803	0.9
73.05101	1.1
79.05496	15.6
81.03403	1.3
81.07063	13.8
83.04977	7.8
83.08624	3.0
85.06515	1.7
89.03893	1.1
90.76588	1.1
91.04950	1.9
91.05476	14.9
93.07049	18.2
94.28899	1.1
95.04941	5.2
95.08601	7.1
97.06526	3.5
102.04660	1.1
103.05475	18.8
105.03396	2.5
105.04513	1.1
105.07039	15.9
107.04955	11.0
107.08598	27.1
109.02864	1.4
109.06500	8.0
109.10167	9.3
115.05450	1.8
117.07010	4.9
118.04182	5.7
119.04907	1.7
119.08576	8.8
120.05710	1.1
121.06512	15.2
121.10139	15.3
122.07272	1.4
123.08033	5.8
123.11682	1.9
130.04178	1.7
131.04926	14.6
131.08562	15.8
133.02853	3.8
133.06477	2.2
133.10136	31.5
135.08058	18.2
135.11705	4.8
137.09636	3.4
143.08560	2.9
145.06468	1.7
145.10146	7.7
147.08041	2.2
147.11702	20.9
148.05223	9.5
149.09575	6.5
149.13255	10.4
158.10875	4.4
161.09607	5.9
163.07559	15.2
163.11197	2.1
163.14893	2.2
173.05968	1.8
173.09644	1.2
173.13278	19.0
176.04681	3.0
176.11935	2.3
180.95532	1.0
191.03374	4.2
191.07008	13.1
191.10666	4.9
191.14311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02374	1.5
53.03953	7.6
55.01868	3.6
55.05301	1.1
55.05516	12.2
56.96553	1.9
57.03434	2.2
57.07087	4.8
59.05008	2.8
65.03939	3.0
67.05511	13.2
69.03435	43.4
69.07075	12.2
69.76685	5.5
71.04993	2.0
76.49883	1.0
77.03934	2.6
79.05500	83.3
81.03413	3.3
81.07063	72.1
81.51650	1.0
83.04541	1.7
83.04989	17.7
83.08612	2.1
85.06532	4.4
91.05489	32.2
92.69365	1.0
93.07053	30.4
95.04975	9.7
95.08616	12.7
97.06525	4.6
102.04683	2.2
103.05485	16.7
105.03374	1.6
105.04530	2.5
105.07037	32.3
107.04964	46.7
107.08604	100.0
109.06527	9.2
109.10165	9.7
110.07300	1.7
111.08099	3.2
115.05444	5.1
117.07022	6.3
118.04174	5.6
118.07819	1.2
119.04920	2.0
119.06054	2.6
119.08598	12.1
120.05695	1.5
121.06526	14.9
121.10152	26.1
122.07250	3.9
123.08073	6.2
123.11731	2.6
129.06993	3.3
130.04138	1.4
130.07791	1.2
131.00102	1.2
131.04935	10.5
131.08577	19.8
133.02840	2.9
133.06496	3.0
133.10139	87.5
135.08070	18.8
135.11674	6.1
136.08830	1.6
137.09630	24.3
138.09903	1.1
142.07753	1.7
143.08607	6.4
144.09309	2.3
145.10141	11.1
146.03679	1.3
147.07999	1.6
147.11684	9.5
148.05202	7.0
148.08841	1.1
149.09644	8.9
149.13277	16.8
158.10945	10.8
161.09615	2.9
163.07549	12.0
163.11238	2.7
163.14825	4.4
173.06039	1.1
173.13277	25.1
176.04692	4.2
176.11862	1.8
191.03429	2.7
191.07047	11.1
191.10678	4.2
191.14320	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01870	4.4
55.05503	8.7
56.96566	9.8
57.03421	2.1
57.07074	2.9
59.04996	2.0
65.60911	1.7
66.20693	2.0
67.05512	20.4
69.03429	7.5
69.07090	11.3
69.52924	7.2
69.53349	6.3
71.04999	25.1
77.03915	2.6
78.73487	1.9
78.85145	1.8
79.05507	19.3
81.07053	15.3
83.04985	6.0
83.08610	3.8
85.06545	15.2
89.03902	2.8
91.05489	31.1
93.07056	32.0
95.04992	16.4
95.08620	20.5
95.31202	1.7
97.06546	30.8
98.97591	2.2
100.62616	1.9
103.05490	17.0
105.07040	51.5
107.04951	5.3
107.08607	63.7
109.02877	2.3
109.06543	20.1
109.10174	21.5
111.08052	6.6
115.05450	6.7
117.07066	10.9
118.04140	2.4
119.08592	20.7
121.06509	6.4
121.10162	70.6
121.11034	3.5
123.08082	30.7
123.11685	5.5
129.06996	5.8
130.07797	1.8
131.04939	11.6
131.07600	2.3
131.08583	53.1
133.02861	5.0
133.10144	56.6
135.08069	63.9
135.11711	4.0
137.05426	2.2
139.97577	1.9
141.07237	2.1
143.05418	7.7
143.08554	9.2
144.09352	2.8
145.06487	5.5
145.10138	18.4
147.08012	3.2
147.11696	29.8
148.05194	4.8
149.09677	13.5
149.13277	28.2
152.05977	7.1
158.10954	17.7
161.09616	2.0
163.07538	11.7
163.11169	4.6
163.14819	4.7
173.09575	3.5
173.13277	69.2
176.04727	3.6
176.12025	2.7
191.03413	9.7
191.07056	11.3
191.10701	6.8
191.14326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.02337	1.1
55.01868	2.2
55.05505	5.2
56.96541	1.4
57.03424	1.5
57.07068	2.0
62.59394	1.1
65.03926	3.0
67.05179	2.0
67.05512	29.9
69.03432	5.8
69.07076	10.2
70.31367	3.9
70.31705	1.5
71.05003	24.4
77.72553	1.3
79.05514	16.2
81.03371	1.5
81.07066	16.7
83.04978	4.5
83.08620	1.5
85.06558	11.7
91.05494	21.6
93.07051	16.8
95.04467	1.2
95.04986	12.7
95.08620	14.5
97.06554	8.8
103.05457	2.7
105.03374	2.9
105.07041	41.7
107.04939	2.7
107.07876	2.5
107.08607	54.5
109.06522	27.3
109.10166	78.8
111.08070	3.5
115.05455	4.3
116.06242	2.7
117.07024	16.8
118.04110	1.3
119.06063	2.1
119.08582	15.7
121.06494	9.2
121.10162	56.2
123.08083	20.3
123.11744	2.8
129.06998	5.0
131.04961	2.7
131.08586	52.7
133.06514	2.5
133.10147	32.9
135.08069	66.4
135.11671	3.5
143.08588	6.2
144.09358	2.4
145.06508	3.6
145.10152	16.0
147.08043	2.7
147.11710	16.5
148.05328	1.3
148.08884	2.3
149.02345	2.8
149.09663	13.6
149.13269	11.4
150.10345	2.3
155.04936	8.2
158.10941	10.2
161.04361	1.3
161.09645	3.7
163.11314	1.5
163.14894	2.6
171.11839	1.8
173.06003	21.1
173.13281	48.8
176.11949	1.3
191.03560	6.8
191.04974	1.5
191.07062	5.6
191.14328	100.0
192.14604	1.8
198.52591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01535	0.9
53.03954	1.4
55.01875	1.5
55.05502	3.8
57.03434	3.0
57.07057	1.9
57.12751	0.9
59.05002	2.7
67.05504	7.1
69.03423	5.0
69.07079	8.0
69.81814	5.4
71.04983	3.3
79.05493	10.6
81.07063	9.5
83.04967	3.6
83.08612	4.7
85.06573	2.2
91.05486	17.9
93.07054	14.2
95.04958	3.9
95.08612	9.9
97.06532	7.4
98.20832	1.5
103.05479	8.0
105.07037	40.1
107.04974	2.0
107.08601	25.7
109.06508	7.8
109.10181	8.8
110.97670	1.0
111.08094	1.1
115.05437	1.8
117.07031	5.9
118.04194	1.6
119.04916	1.3
119.08585	19.7
121.06545	5.5
121.10151	16.6
123.08064	4.1
123.11711	1.7
129.06992	2.9
131.04893	4.1
131.08578	34.7
133.10138	100.0
134.10466	1.4
135.08072	16.5
135.11707	3.1
140.75507	1.1
143.08568	8.0
144.09340	4.2
145.10123	15.7
147.11668	11.9
148.05171	3.6
149.09674	6.8
149.13264	13.6
150.10410	3.0
158.10928	13.5
160.05064	1.2
161.09624	1.6
163.07541	3.6
163.11203	2.4
163.14806	2.9
171.11673	1.7
173.05966	1.7
173.13272	44.6
176.04703	2.0
191.07025	5.3
191.08571	1.2
191.10616	3.1
191.14311	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35753	0.4
55.01863	0.9
55.05513	3.5
57.03437	0.7
57.07064	0.7
59.04978	0.5
65.03927	0.6
67.05517	2.0
69.03087	0.5
69.03436	7.9
69.07083	3.3
70.80170	0.4
70.80499	1.2
71.04978	1.4
71.66868	0.4
79.05499	4.3
81.07062	2.9
83.04990	6.6
83.08600	0.9
85.06553	1.2
88.58113	0.4
91.05492	7.9
93.07063	4.2
95.04966	1.0
95.08605	2.3
97.06553	2.8
98.97559	0.4
103.05459	1.8
105.07043	13.2
107.04965	1.0
107.08611	24.1
109.06547	1.3
109.10149	1.3
111.08066	0.6
115.05459	0.9
115.98617	0.4
116.06207	0.4
117.07027	1.9
118.07815	0.6
119.08606	4.5
121.06528	3.3
121.09306	0.7
121.10151	8.8
123.08099	2.3
123.11699	1.0
129.06995	1.3
131.04938	1.4
131.08586	14.0
133.02832	0.4
133.06494	0.8
133.10146	44.3
134.10522	0.4
135.08081	8.5
135.11679	1.8
143.08562	3.7
144.09348	1.0
145.10132	6.5
147.11708	4.1
148.05200	1.3
149.09612	2.1
149.13277	5.3
158.10941	5.9
161.09631	3.4
162.83934	0.4
163.07553	1.0
163.11267	0.6
163.14821	1.5
173.13287	18.9
176.04776	0.9
176.12000	1.5
191.07019	1.4
191.14326	100.0
192.14635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03959	0.7
53.30932	0.5
55.01874	5.6
55.05509	0.9
66.38960	0.4
67.05495	1.5
69.03427	0.9
69.07073	15.7
70.43869	0.5
70.44187	1.1
77.03967	0.5
79.05503	3.2
81.07041	1.8
83.04982	2.2
83.08604	0.6
91.05492	5.8
93.07048	13.9
95.04964	0.7
95.08606	2.4
97.06538	2.1
103.05447	1.3
105.07018	3.7
107.04955	0.6
107.08600	10.5
109.06512	0.8
109.10153	0.7
111.08150	0.6
115.05441	0.8
117.06964	1.2
118.04217	0.5
119.08595	3.0
121.06509	17.6
121.10155	8.8
123.08045	1.8
128.87393	0.5
131.04900	0.7
131.08572	4.8
133.10153	6.7
135.08063	8.7
135.11688	2.7
137.09607	1.6
143.08575	1.0
145.10091	2.9
147.11697	26.2
149.09659	3.6
149.13293	8.3
158.10909	1.4
161.09622	7.1
163.11189	1.3
163.14868	1.7
173.13272	9.5
176.11992	2.7
191.03407	0.7
191.07088	1.1
191.14316	100.0
192.14618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03948	4.7
53.38141	0.7
55.01883	5.3
55.05519	5.4
56.96561	3.0
57.03437	2.6
65.03939	3.1
67.05173	1.1
67.05512	16.0
69.03430	2.4
69.07068	4.9
71.04991	2.6
71.28190	1.7
77.03925	1.0
79.05062	1.5
79.05500	20.4
81.03426	49.9
81.07068	12.0
81.61784	0.7
83.04995	2.6
83.08631	5.4
85.06557	1.7
89.03902	0.9
91.05491	18.2
93.07051	9.5
95.04980	19.1
95.08620	8.0
97.02906	1.2
97.06539	1.4
98.97565	1.5
99.08086	1.1
103.05479	12.5
104.06313	1.1
105.07041	100.0
106.07351	1.3
107.04960	5.4
107.08609	11.5
109.06533	2.9
109.10168	16.2
110.97565	1.0
111.04453	0.7
111.08100	1.8
115.05463	20.7
117.07050	1.8
118.04164	10.2
119.04955	1.0
119.08597	14.4
121.06556	1.6
121.10204	3.3
123.04422	0.9
123.08086	3.0
123.11742	2.5
125.09641	1.2
128.98605	1.2
129.06987	3.4
131.04909	4.2
131.08551	3.3
132.05760	1.0
132.89249	0.7
133.02861	2.2
133.06506	76.0
133.10139	25.8
134.06825	1.4
135.08055	1.3
135.11702	19.2
137.06023	1.6
137.09651	4.6
138.10394	1.1
142.07800	1.8
143.04935	1.9
143.06082	6.8
145.10153	0.9
147.03368	0.7
147.04445	2.4
147.08075	2.9
147.11697	5.9
149.02388	1.4
149.05962	0.8
149.09572	2.0
149.13316	1.4
151.11267	0.9
157.10172	3.3
161.05998	84.9
162.06404	1.4
165.05486	1.1
175.07527	1.1
175.11209	3.9
175.14828	15.9
175.16238	1.0
178.02625	2.0
184.27444	0.8
193.05006	9.0
193.06615	0.9
193.06973	1.0
193.08643	12.3
193.10397	1.3
193.12265	6.4
193.14127	1.4
193.15887	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03947	5.1
55.01875	3.2
55.05515	8.7
56.96569	0.8
57.03436	2.6
57.07083	0.5
65.03948	3.2
65.37608	0.4
67.05509	25.2
69.03427	2.9
69.07076	2.7
69.19251	0.4
71.01346	0.4
71.05010	2.2
71.55225	0.5
77.03947	0.6
79.05500	17.4
81.03424	100.0
81.07059	11.3
83.04991	5.5
83.08624	10.8
85.06532	0.7
90.86304	0.4
91.05059	0.5
91.05488	19.8
93.07050	8.5
95.04977	37.0
95.08611	2.8
97.02898	1.9
97.06516	1.2
97.10172	0.8
103.05452	2.7
105.04556	0.6
105.07038	19.5
107.04961	7.6
107.08604	3.9
109.06525	3.2
109.10162	1.8
111.04455	2.2
111.08100	2.1
115.05464	4.1
116.06286	0.7
117.07053	1.5
118.04189	0.8
119.04980	1.0
119.08587	10.8
121.06541	2.7
121.10162	3.4
123.04429	0.9
123.08094	1.6
123.11776	0.6
128.06245	0.8
129.07027	8.4
131.08578	6.7
133.02800	0.7
133.06499	9.2
133.10138	5.1
135.11705	2.9
137.05954	0.7
137.09622	2.0
142.07796	2.6
143.06094	0.7
145.10194	0.6
147.08043	2.8
147.11694	5.6
149.02388	1.4
149.09636	3.5
151.11211	0.8
157.10141	5.6
158.18338	0.5
161.06020	6.7
161.07300	0.8
165.12785	1.0
175.11200	5.9
175.14906	1.5
178.02740	0.6
182.45366	0.5
187.43172	0.5
193.04988	3.6
193.08585	2.1
193.12253	10.9
193.15886	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	193.1226
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02383	0.5
53.03954	6.2
55.01882	4.7
55.05518	10.0
56.96572	3.9
57.03448	2.9
57.07080	0.6
62.65106	0.6
65.03938	2.5
65.95908	0.5
67.05511	24.2
68.99813	0.6
69.03438	4.5
69.07076	4.4
69.19769	0.6
71.01344	0.6
71.05007	1.8
71.55527	0.8
77.03942	0.7
79.05501	23.2
81.03427	100.0
81.07064	15.6
81.07522	1.0
82.00690	0.5
83.04985	6.5
83.08629	11.4
85.02925	0.7
85.06543	1.5
85.51483	0.5
87.56868	0.5
88.99560	0.5
91.05490	25.3
93.07056	10.2
95.04980	38.7
95.08626	6.1
97.02901	2.5
97.06547	1.5
97.10178	1.4
97.32575	0.6
98.97586	2.5
99.04491	0.6
99.08092	1.2
103.05486	7.3
105.03401	5.2
105.07042	49.7
106.07403	0.8
107.04966	8.3
107.08614	6.8
109.02908	0.8
109.06528	5.2
109.10168	3.7
110.97605	2.5
111.04484	2.6
111.08075	2.3
115.05466	10.7
116.06267	0.7
116.98630	1.6
117.07037	2.9
118.04188	3.2
119.04942	1.7
119.08597	16.0
120.08096	0.7
121.06506	3.6
121.10168	4.7
123.04435	1.8
123.08084	1.9
123.11715	1.4
125.06004	0.6
128.06238	1.1
128.98625	4.3
129.07024	7.2
131.04933	1.8
131.08591	8.2
132.05714	1.0
133.02876	4.3
133.06508	32.4
133.09402	0.8
133.10144	19.6
135.08063	1.4
135.11729	3.4
137.06067	2.8
137.09616	2.4
142.07814	2.8
143.04967	0.6
143.06056	1.3
145.10127	1.2
146.99678	3.5
147.01404	0.8
147.04401	2.1
147.06406	1.7
147.08057	8.4
147.11690	8.6
148.07587	1.0
149.02327	1.1
149.05971	1.2
149.09651	5.0
149.13292	1.1
150.03146	1.0
150.06689	0.6
151.03841	0.7
151.07526	0.9
151.11186	0.9
151.14885	0.5
157.10150	5.9
158.99712	0.6
160.05110	1.2
161.02336	0.9
161.06065	27.6
165.00659	0.6
165.05539	2.3
165.06827	0.6
165.09093	0.8
165.12775	1.7
175.03854	0.7
175.07545	3.4
175.11206	8.3
175.14864	6.8
178.02631	3.9
178.06183	0.8
193.03290	1.0
193.04971	19.0
193.06534	0.6
193.08604	9.6
193.10342	1.1
193.12239	13.8
193.15897	5.1
194.08157	1.3
194.15416	0.9
203.01530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1227
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.06048	1.4
53.03950	9.7
53.97063	1.3
55.01874	6.2
55.05516	15.3
56.96561	7.1
57.03444	40.3
57.07079	2.3
65.03938	4.1
66.51379	1.5
67.05513	30.5
69.03428	5.0
69.07072	5.1
70.59298	2.8
70.59669	3.3
71.05006	3.1
79.05497	28.2
81.03429	100.0
81.07064	26.2
83.04989	9.0
83.08639	12.8
85.06551	5.7
90.32811	1.4
91.05490	54.3
93.07058	40.7
95.04981	45.0
95.08603	9.0
97.02898	2.2
97.06534	3.7
98.21486	2.0
99.08148	1.6
103.05484	6.3
105.04528	2.2
105.07043	65.8
107.04977	9.3
107.08598	12.0
109.06533	10.2
109.10162	13.6
109.74921	1.6
110.97612	3.6
111.04456	3.8
111.08083	3.3
112.30812	1.5
115.05482	7.5
117.07046	6.2
118.04191	3.4
119.04926	2.3
119.08595	54.4
120.05238	1.5
121.06525	29.5
121.10173	7.1
123.04479	4.2
123.08112	4.0
128.97702	1.8
128.98647	4.3
129.07018	12.0
131.08560	12.3
133.02882	3.6
133.06516	27.1
133.10143	39.0
135.08073	4.1
135.11719	6.2
137.06013	3.5
137.09639	19.3
142.07800	4.6
143.06094	2.1
145.06499	2.0
146.07277	3.9
146.97523	1.8
147.04372	1.4
147.08076	13.5
147.11707	28.8
149.02342	5.2
149.03473	1.7
149.09660	5.3
151.07430	1.8
151.11240	2.4
157.10170	9.4
160.08908	3.8
161.06012	21.2
165.05508	4.4
165.12772	2.7
175.09714	3.0
175.11186	27.7
175.14836	10.2
178.02669	7.9
190.08542	1.5
193.04988	25.0
193.06755	2.1
193.08667	5.7
193.12259	29.1
193.15852	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	193.1226
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.01610	0.4
51.02374	0.5
53.03950	3.8
55.01880	4.4
55.05516	17.6
56.96574	2.3
57.03444	2.5
57.07089	0.5
59.05000	0.3
65.03945	2.8
67.05511	24.0
69.03440	3.9
69.07072	4.5
69.73260	1.9
71.01330	0.3
71.05002	1.7
73.02916	0.3
74.06767	0.3
77.03931	0.5
79.05500	18.7
79.63020	0.3
81.03425	100.0
81.07063	14.3
81.95026	0.3
82.03754	0.6
83.04530	0.5
83.04992	4.7
83.08134	0.7
83.08629	12.7
84.96077	0.5
85.02916	0.5
85.06552	0.9
87.04517	0.3
91.05491	21.2
93.03378	0.3
93.07055	8.9
95.04980	38.4
95.08628	5.3
97.02879	2.1
97.06538	1.7
97.10165	1.1
98.21495	0.4
98.97595	8.5
99.04451	0.4
99.08105	0.4
103.05495	4.1
104.06236	0.5
105.03387	0.6
105.04541	0.8
105.07040	35.9
106.07338	0.4
107.04964	8.6
107.08603	5.0
109.02862	0.3
109.06534	4.6
109.10165	3.6
110.97610	0.4
111.04448	1.8
111.08085	2.6
112.99140	1.3
115.05458	6.6
116.06222	0.6
116.98631	3.6
117.07068	1.8
117.07772	0.3
118.04178	2.9
119.04966	1.5
119.08594	16.3
121.02951	0.4
121.06524	2.9
121.10140	4.4
122.03731	0.5
123.04436	1.4
123.08095	2.1
123.11715	0.6
124.12697	0.3
125.09682	0.4
128.06239	1.1
128.98575	0.7
129.07022	8.3
131.00175	1.4
131.04948	1.1
131.08577	6.9
132.05746	0.8
133.02837	2.1
133.06509	21.2
133.10139	11.0
134.03644	0.3
134.99663	0.9
135.04437	0.4
135.08070	0.8
135.11722	2.6
137.05972	1.4
137.09624	2.7
141.07039	0.5
142.07785	2.9
143.06039	1.6
145.10135	1.1
146.99664	0.6
147.04419	0.8
147.08055	4.1
147.11696	6.6
149.01196	1.1
149.02338	1.5
149.03424	0.5
149.05960	0.5
149.09654	4.3
149.13261	0.9
150.03111	0.6
151.07556	0.5
151.11206	0.9
157.08968	0.4
157.10149	5.8
158.99660	2.4
161.06004	16.8
165.05533	0.9
165.09151	0.6
165.12738	0.9
173.01242	1.4
175.03917	0.4
175.07545	0.8
175.11205	6.3
175.14844	8.7
177.00793	1.6
178.02660	2.3
191.02307	1.0
193.03239	0.7
193.04967	9.2
193.06833	0.6
193.08647	5.1
193.10497	0.6
193.12234	10.7
193.15929	4.9
194.08131	0.5
194.15521	0.4
201.00797	0.4
202.98595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03952	7.7
55.01875	5.4
55.05516	10.3
56.96556	2.9
57.03418	3.2
60.15908	0.9
65.03932	3.4
67.05509	38.4
68.27446	0.9
69.03421	3.8
69.07066	6.7
69.76681	4.5
71.04994	6.0
77.03932	1.8
79.05501	36.9
81.03425	100.0
81.07060	24.2
82.03767	1.0
83.04980	7.5
83.08624	13.2
83.16825	0.9
85.02923	1.3
85.06544	1.5
91.05489	56.5
93.06474	1.4
93.07054	30.4
95.04977	47.6
95.08589	4.2
96.05553	1.0
97.02907	1.7
97.06513	3.2
103.05481	2.0
105.04554	1.1
105.07042	47.4
107.04974	11.5
107.08635	7.3
109.06529	8.6
109.10156	2.7
110.65160	1.0
111.04448	2.7
111.08080	2.8
113.06036	1.7
115.05462	6.8
117.07008	3.7
119.04947	2.3
119.07795	1.8
119.08592	22.0
121.06500	2.9
121.10201	5.5
123.08064	2.2
128.06314	1.1
129.07025	18.1
131.08580	19.6
132.05756	1.2
133.02859	2.1
133.06497	15.8
133.10143	56.0
135.11705	1.2
137.09621	2.3
142.07785	4.5
145.10034	1.2
147.08054	6.3
147.11694	21.9
149.02400	1.2
149.09637	14.7
151.11172	1.7
157.10144	18.8
161.05995	12.8
165.12729	1.4
175.11194	23.3
175.14743	1.6
178.02649	1.3
187.70206	1.0
193.04941	5.9
193.08629	3.9
193.12247	23.5
193.15958	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02371	0.9
53.03951	5.8
55.01876	4.6
55.05515	8.8
56.96566	2.3
57.03452	3.1
58.31381	0.4
59.05021	0.7
65.03949	5.0
66.04731	0.5
67.05508	27.8
69.03432	3.7
69.07068	3.4
69.57800	2.4
71.04987	2.4
77.03938	0.7
79.05498	23.6
81.03422	100.0
81.07060	15.6
82.03783	0.8
83.04985	5.2
83.08624	11.6
85.02903	0.7
85.06546	1.0
91.05486	29.7
93.07049	12.5
94.04210	0.6
95.04973	39.5
95.08601	3.2
97.02922	2.9
97.06531	2.1
97.10169	0.7
97.25723	0.5
98.21484	0.6
98.97605	2.6
99.08070	0.8
103.05471	5.0
104.05639	0.5
105.03400	1.5
105.04536	0.7
105.07037	39.3
107.04964	9.9
107.08599	5.0
109.02906	0.7
109.06538	4.8
109.10172	2.6
110.97592	1.0
111.04459	2.8
111.08089	2.7
115.05454	7.2
116.06290	0.6
117.07027	2.2
118.04161	2.3
119.01838	0.7
119.04950	1.6
119.08585	14.0
121.02904	0.7
121.06526	2.9
121.10156	4.8
122.03666	1.1
123.04473	0.8
123.08079	1.4
123.11701	0.6
125.09638	0.6
128.06184	0.8
128.98590	1.4
129.07014	10.8
131.04953	1.8
131.08578	9.2
132.05751	0.6
133.02864	4.3
133.06506	22.5
133.10139	14.0
135.08031	1.3
135.11684	1.9
136.07552	0.5
137.05974	1.7
137.09630	2.2
142.07779	2.9
143.06032	1.3
144.48743	0.5
146.99716	1.2
147.04439	0.8
147.08049	6.6
147.10637	0.9
147.11696	8.1
149.02341	4.7
149.03406	0.9
149.06020	0.8
149.09639	6.7
150.03140	2.9
157.10144	7.4
161.02306	0.8
161.06003	20.0
165.05496	1.2
165.12755	1.4
175.07515	1.7
175.11197	8.2
175.14825	1.7
178.02625	15.7
193.04971	21.8
193.08614	5.7
193.10316	0.7
193.12250	14.4
193.15819	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	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01860	1.8
55.05510	10.0
56.96570	1.6
57.03422	1.0
57.07067	4.4
58.51105	0.9
63.13280	0.9
65.03934	1.7
67.05510	11.5
69.03423	1.6
69.07076	12.8
69.40247	5.2
69.40660	1.7
71.04977	1.2
79.05487	9.3
81.03422	5.1
81.07067	13.3
81.10243	0.9
82.47430	0.9
83.04983	3.2
83.08614	4.1
85.06553	2.0
91.05478	12.6
93.06477	1.4
93.07044	11.6
95.04970	4.4
95.08613	27.5
97.06524	3.7
97.10190	1.1
98.21517	1.0
103.05464	2.8
104.06170	1.0
104.61387	0.8
105.07038	37.1
107.08601	12.3
109.06514	8.5
109.10159	28.4
110.97581	1.5
111.08031	1.3
115.05441	5.5
117.07008	3.3
118.04197	0.9
119.08588	73.9
121.10118	7.5
123.08070	11.7
123.11684	3.6
128.98607	0.9
131.08560	3.7
133.02794	1.5
133.05498	1.1
133.06500	19.2
133.10141	84.1
134.10922	1.1
135.11693	23.6
137.09631	10.6
143.06026	1.6
145.10091	7.7
147.11697	22.0
149.02368	2.0
149.13240	7.3
151.14879	5.2
155.81029	0.9
159.11710	1.2
160.12450	4.7
161.05981	17.2
165.07042	1.1
168.11784	0.9
173.13249	1.9
175.14832	100.0
176.15146	2.4
178.00960	1.3
178.02617	3.1
193.04979	7.4
193.08649	5.6
193.12244	2.1
193.15900	26.8
193.17665	1.4
194.11760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.03946	1.4
55.05519	9.7
57.03424	0.6
57.07076	1.8
59.05006	2.0
63.60033	0.7
65.03947	1.2
67.05508	10.2
69.03421	0.8
69.07075	23.8
69.93552	2.9
71.05001	14.7
79.05495	8.3
81.03429	1.4
81.07069	19.8
83.04986	1.5
83.08665	3.6
84.67290	0.6
85.06555	11.1
91.05492	7.3
93.07054	23.5
94.08320	0.6
95.04982	35.2
95.08617	19.3
95.09233	0.7
97.06541	3.0
97.10175	7.9
99.08094	5.2
103.05463	0.9
105.07053	11.6
107.08609	32.4
109.06531	100.0
109.10159	14.7
110.97545	0.7
111.08080	4.6
111.11714	2.4
113.20617	0.6
119.08591	26.3
121.10152	8.2
123.08085	7.6
123.11720	17.9
123.12583	1.2
128.98627	1.1
131.08595	2.0
133.02892	1.2
133.06548	1.4
133.10146	23.5
135.11710	33.7
137.09633	14.1
145.10167	1.0
147.08080	0.7
147.11685	4.0
149.02348	1.0
149.13277	8.8
151.11212	5.2
151.14757	0.8
161.05943	1.6
175.14841	37.0
176.15146	0.9
178.02673	1.0
184.30411	0.7
193.05023	4.6
193.08607	0.7
193.12257	2.4
193.15903	55.0
194.48245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.14297	0.6
53.03953	2.2
55.01875	2.7
55.05518	6.1
55.81366	0.5
56.96563	1.7
57.03435	1.2
57.07085	4.3
59.05027	1.3
65.03956	1.3
65.32079	0.5
67.05513	11.8
69.03427	1.5
69.07071	11.0
69.07417	1.0
69.57719	4.3
71.04985	0.6
76.97233	0.5
79.05508	11.1
81.03430	11.1
81.07066	10.9
83.04988	3.3
83.08627	4.2
85.06532	1.7
90.04685	0.7
91.04965	1.1
91.05495	16.4
92.05793	0.7
93.07054	9.0
95.04993	5.7
95.08617	21.0
97.06534	0.9
98.97608	3.4
103.05486	7.8
104.06274	0.9
105.03404	3.5
105.07044	59.6
106.07368	1.3
107.04946	1.1
107.08607	9.5
109.06545	3.1
109.10165	20.7
110.97596	1.5
111.04444	1.0
111.08076	0.7
115.05462	8.9
116.98622	0.7
117.07030	2.5
118.04166	5.9
119.05011	0.8
119.08595	65.9
120.08887	0.8
120.74882	0.5
121.06481	1.0
121.10151	5.9
123.08050	3.1
123.11731	2.2
128.57745	0.6
131.04915	1.4
131.08565	4.3
132.02040	0.7
132.05725	2.1
133.02864	2.3
133.06511	36.0
133.10146	84.4
134.10440	1.0
135.11710	17.6
137.05963	1.5
137.09619	6.4
143.05008	1.2
143.06070	3.5
145.10136	5.6
146.03645	3.2
147.04422	1.3
147.08061	1.3
147.11708	23.4
149.13280	5.9
150.03146	0.9
151.11200	1.2
151.14850	5.0
157.10127	1.0
158.99638	1.0
159.11707	1.2
160.05124	1.0
160.12491	3.8
161.06041	31.4
162.06342	1.0
165.05534	1.1
173.13264	1.8
175.14845	100.0
176.15213	2.6
177.00761	0.8
178.02600	3.5
178.06276	4.2
178.07581	0.7
181.06616	0.6
193.04985	8.8
193.08632	8.1
193.12245	1.9
193.15938	17.2
194.08115	0.8
194.15431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.33795	0.9
53.03954	2.0
55.01880	2.0
55.05516	8.0
56.96564	2.4
57.07076	4.2
65.03947	1.0
65.41859	0.8
67.05516	11.9
69.03421	1.6
69.07071	12.0
79.05504	7.1
79.85692	0.8
81.03419	15.1
81.07065	9.8
83.04990	2.5
83.08625	4.1
84.47734	0.9
85.06535	1.8
91.05495	12.7
92.72231	0.9
93.07059	11.1
95.04975	7.2
95.08614	25.5
97.02892	1.1
103.05470	2.7
105.07045	32.6
107.04975	1.4
107.08597	10.2
109.06519	3.1
109.10168	23.3
111.08015	0.9
113.40777	0.9
115.05454	2.7
115.71506	0.9
117.07031	2.5
119.08591	67.5
120.09315	1.3
121.10149	5.6
123.08077	2.8
123.11720	2.8
131.00084	1.2
131.08604	3.0
132.05705	1.0
133.06502	8.4
133.10141	85.1
134.10959	2.1
135.11713	20.2
137.09627	8.4
145.10143	5.5
147.11705	21.3
149.02438	1.3
149.13303	8.2
151.11101	1.4
151.14824	6.2
160.12502	3.6
161.05991	9.1
173.13269	1.7
175.14842	100.0
176.15175	2.2
178.02621	2.0
193.04977	3.8
193.08653	3.5
193.12282	1.6
193.15868	17.2
193.17403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03949	4.0
55.01870	2.1
55.05511	15.9
56.96573	7.3
57.03441	7.8
57.07065	3.6
60.29653	1.5
64.93771	1.4
64.98991	1.7
65.03931	1.9
67.05513	26.6
68.51307	1.5
69.03418	4.3
69.07071	29.6
69.37007	8.0
69.37415	3.1
71.05017	10.2
72.04501	4.5
75.65372	1.9
79.05505	18.8
81.03427	33.7
81.07070	35.5
83.04984	3.6
83.08630	13.8
85.06554	5.5
91.05489	24.2
93.07052	30.4
95.04969	22.4
95.08616	35.4
97.06535	17.8
97.10181	1.7
99.08091	3.1
103.05473	6.2
105.07042	55.7
107.04977	4.2
107.07874	2.3
107.08606	52.6
109.06538	27.7
109.10169	60.2
110.10471	2.3
110.97555	2.2
111.08101	7.9
111.11719	3.8
115.05462	10.7
117.07063	3.3
118.04174	3.6
118.22358	1.3
119.07798	2.6
119.08601	44.2
121.10152	17.9
122.57626	1.7
123.04379	2.3
123.08091	28.9
123.11689	13.7
125.09637	2.2
128.98604	2.7
129.06963	1.6
131.08568	4.7
132.05653	2.3
133.02847	2.2
133.06509	28.9
133.10146	100.0
135.08101	2.3
135.11711	87.5
137.09619	21.9
138.10384	2.4
143.06067	2.4
145.10117	1.8
147.08069	2.0
147.11699	13.9
149.09653	3.8
149.13255	4.1
151.11169	4.8
151.14804	1.7
157.10112	3.5
161.06012	25.3
161.07263	2.8
175.11211	4.8
175.14839	77.8
178.02661	3.5
193.04976	18.0
193.08646	9.1
193.10522	2.3
193.12222	16.6
193.15900	76.0
194.15474	1.7
195.25919	1.8
198.85771	1.5
199.06538	1.6
202.01376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0288
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
53.03945	3.3
55.01862	2.5
55.05517	3.5
55.83473	0.4
56.96566	4.1
57.03440	39.2
57.07053	0.6
58.23906	0.4
61.02914	0.7
63.91713	0.4
65.03935	2.8
67.05504	3.6
68.99789	5.0
69.03423	2.5
69.04556	1.8
69.07070	3.9
69.52272	3.2
71.01340	0.6
71.04997	1.6
73.02919	0.7
79.05492	3.9
81.03422	15.4
81.07058	4.0
82.03741	0.8
83.01351	2.3
83.04983	1.3
83.06093	0.9
83.08632	1.1
84.04495	0.7
84.96027	0.7
85.02909	83.0
89.03949	2.5
90.01558	0.5
91.05483	3.1
93.03410	1.5
93.07044	5.9
95.04964	2.0
95.08587	2.9
97.02295	0.9
97.02895	10.8
97.06547	1.5
97.96803	0.7
98.97592	7.8
99.04488	0.8
99.08099	0.9
105.07017	1.5
107.01334	3.5
107.04959	3.8
107.08624	4.5
109.02245	0.7
109.02899	8.6
109.10161	2.4
110.07173	5.5
110.97557	1.0
111.00811	3.4
111.04441	1.8
116.98662	3.2
117.03391	3.6
121.02875	8.1
121.06487	0.6
121.10158	3.4
122.03130	0.6
122.09632	0.6
123.04404	0.6
123.11704	0.5
125.02363	13.1
125.05993	0.6
127.03913	1.7
128.98615	1.2
130.96222	0.5
131.00174	0.6
131.08589	0.6
133.02841	0.5
133.10126	1.2
134.03636	0.6
135.00806	1.1
135.04411	1.6
135.08058	1.0
135.11693	3.9
137.06058	0.6
137.13229	0.6
138.06633	25.7
139.03914	1.6
139.07582	0.5
140.02313	0.5
145.01791	0.7
145.02864	6.2
149.01263	0.7
149.02333	5.1
149.05972	2.0
149.09621	0.8
149.13300	0.7
150.09108	0.9
152.06219	1.0
153.01854	6.3
153.05515	0.8
157.01723	1.6
158.99629	1.8
159.11740	0.6
160.03854	4.2
161.01241	0.8
163.03952	2.4
165.06966	0.7
167.03424	2.7
167.07054	1.1
167.08607	1.5
169.04431	2.6
171.02896	12.5
175.02794	2.0
177.00639	1.6
177.01961	5.5
177.05475	7.4
177.09140	0.8
177.12813	1.2
177.16359	1.5
179.72888	0.5
180.55151	0.5
186.07353	0.8
195.02902	100.0
195.08826	38.4
195.11681	1.0
195.13789	1.0
196.03285	1.1
204.08414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03925	0.8
55.01829	0.7
55.05479	0.9
56.04990	0.6
56.96539	1.0
59.36503	0.6
63.02353	1.2
65.03923	1.3
67.05491	1.1
68.99720	0.7
69.03387	0.8
69.04534	1.4
69.07064	3.3
69.57061	1.3
69.57466	2.7
78.04681	1.4
79.05488	2.8
79.93644	0.7
81.07031	1.6
83.06081	0.9
89.03918	26.2
91.05477	3.8
93.03382	1.1
93.07053	3.4
95.04942	2.4
95.08595	1.2
97.06509	1.1
98.97600	3.2
103.05438	2.2
104.70750	0.6
105.03371	0.7
105.04476	0.8
105.07033	1.0
106.04153	2.4
107.04975	5.3
107.08570	1.9
109.03984	0.7
110.07174	5.6
111.04462	0.7
111.11703	0.7
113.30097	0.5
116.98626	1.0
117.03388	52.8
117.07059	0.6
121.02835	0.7
121.06467	2.0
121.10143	2.0
123.08049	0.7
125.05966	0.9
133.02827	0.7
134.03642	7.2
135.04424	8.1
135.08055	1.2
135.11694	2.1
138.06635	25.0
138.56581	0.7
145.02850	87.8
145.24788	0.7
146.03246	0.7
149.05989	22.2
149.09669	0.6
150.09138	0.6
152.06206	1.6
153.05464	1.5
158.99678	1.3
162.03154	2.3
163.03903	10.8
165.06950	0.8
167.07178	1.3
167.08580	1.2
168.64146	0.6
177.05476	100.0
186.05513	1.2
195.02902	4.9
195.08807	32.0
195.13788	0.8
195.15607	1.1
195.34645	0.5
207.41223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
54.55207	0.5
54.97520	0.4
55.01877	0.7
55.05499	0.6
56.96560	0.6
59.15040	0.4
63.02384	0.9
67.05505	1.2
70.29330	0.5
70.59479	1.2
78.04716	1.8
79.05498	1.2
79.51366	0.4
81.07062	0.9
85.17242	0.5
89.03922	26.3
89.18898	0.6
91.05490	3.3
93.07045	1.8
95.04987	1.1
95.08607	0.9
103.05505	1.3
106.04198	2.5
107.04974	1.2
107.08608	0.6
110.07169	2.4
117.03386	55.7
121.06509	1.9
134.03650	9.1
135.04445	6.0
138.06635	12.6
145.02853	89.8
146.03181	0.8
149.04774	1.2
149.05986	24.0
150.09178	0.5
153.05498	0.8
158.06085	0.5
162.03154	2.9
163.03926	9.9
177.05478	100.0
186.05537	2.7
195.02905	1.4
195.06725	1.0
195.08772	19.1
195.11560	1.0
195.13660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03939	1.5
55.01878	0.9
55.05503	2.3
56.05034	0.8
56.96570	7.9
57.03430	1.6
63.02385	0.6
65.03941	1.5
67.05481	0.9
69.03435	1.7
69.04565	1.6
69.07060	2.1
70.08546	2.1
71.04987	0.8
73.02932	1.2
78.04737	1.6
78.92335	0.6
79.05489	2.3
79.84565	0.6
81.03424	1.0
81.07059	2.1
83.06107	1.8
83.08598	0.8
84.04498	0.9
84.96024	0.6
85.02903	2.0
89.03921	27.4
91.05494	4.3
93.03419	1.8
93.07047	2.9
95.04976	1.8
95.08638	0.9
97.02892	2.5
98.20631	0.6
98.97604	5.6
103.05470	1.6
105.07051	1.5
106.04180	2.1
107.04961	3.5
107.08600	2.2
109.06490	1.3
110.07143	4.9
110.97557	1.0
111.04430	1.2
116.98602	1.5
117.03386	56.2
119.01825	1.1
119.04942	1.2
121.02851	0.7
121.06489	3.0
121.10123	1.3
125.05998	1.9
128.02296	1.8
128.98582	0.9
130.96307	0.9
134.03639	8.0
134.99915	0.7
135.04430	6.2
135.08055	1.7
135.11714	1.1
137.05956	0.8
138.06630	28.0
145.02850	87.3
148.97400	1.0
149.05992	22.4
149.09604	1.5
153.05484	3.0
157.05269	0.9
158.99677	1.2
161.01241	0.6
162.03148	2.5
163.03905	11.0
167.07101	1.2
174.07326	0.7
175.06403	2.2
177.05476	100.0
178.05794	0.8
183.05969	4.6
186.05492	1.4
186.40547	0.7
192.06534	1.2
193.07545	0.8
194.56718	0.6
195.02910	3.4
195.06630	1.8
195.08777	40.5
203.05869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	3.1
55.01878	3.8
55.05511	7.4
55.51852	0.8
56.96567	7.1
57.03423	2.8
57.07075	2.1
59.51670	0.9
65.03950	2.1
67.05508	26.6
69.03426	1.8
69.04549	3.8
69.07071	11.3
71.01356	1.5
71.04993	4.2
71.54923	1.2
71.95255	1.6
73.02911	1.6
73.46645	0.7
77.37534	0.8
79.05065	1.3
79.05499	21.3
81.03431	4.9
81.07062	47.6
82.07392	0.9
83.04985	6.8
83.06086	3.3
83.08647	4.2
84.04507	8.6
84.08148	2.3
85.06531	2.7
89.03916	3.4
89.06017	2.0
91.05486	12.5
91.82262	0.8
93.07043	30.5
95.04972	3.8
95.08613	18.7
97.06528	7.3
98.06080	1.0
99.08109	1.1
100.02532	1.0
103.05491	1.2
105.07059	6.3
107.04961	5.7
107.08603	13.5
108.08127	0.8
109.06513	2.3
109.10159	2.2
110.07169	13.5
111.05565	0.9
111.08079	2.7
112.12467	0.8
117.03400	5.7
117.07039	4.3
118.03609	0.9
119.08614	1.9
121.06512	4.0
121.10159	6.4
122.09656	3.4
123.04382	1.0
123.08109	2.0
123.11670	0.8
125.06041	1.5
129.06938	0.8
131.00185	2.0
131.08559	5.3
131.96167	1.0
133.02817	0.9
133.10152	6.9
135.04367	1.3
135.08057	4.7
135.11700	16.6
136.58080	1.1
137.09595	0.9
138.06633	64.7
138.09006	2.0
145.01779	1.1
145.02856	10.7
148.97375	1.7
149.01239	1.7
149.05984	3.0
149.09654	1.9
149.13286	9.5
149.97243	1.2
150.09142	7.3
151.11160	1.2
151.58533	1.0
152.06216	1.0
159.11725	8.8
163.03893	4.3
165.07050	2.6
167.08646	1.8
172.98735	0.8
177.05463	12.6
177.06905	1.6
177.12747	7.8
180.09329	2.3
195.02948	5.9
195.08789	100.0
195.11717	3.1
195.13828	8.6
195.15727	2.1
196.09464	1.1
196.16943	1.1
213.08025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0971
Annotation	alpha-Methyl-m-tyrosine
Peak:m/z	Relative Intensity
54.59628	0.9
55.01881	6.7
55.05507	2.3
56.05025	4.0
56.10980	0.8
56.96579	4.2
57.03444	5.5
57.03686	1.3
57.07083	1.2
65.03932	3.0
67.05512	34.9
68.05021	4.0
69.03432	4.4
69.07066	4.3
70.06588	2.4
70.66692	1.4
70.66997	1.1
70.95847	2.2
71.05006	4.5
72.93778	1.0
73.02936	4.6
79.05507	6.8
80.05007	2.4
81.03426	1.5
81.07067	2.4
83.03713	1.1
83.05001	1.0
84.04514	100.0
84.07699	1.2
84.08154	14.0
85.02921	5.6
85.06548	2.1
86.06064	3.5
89.30708	0.9
91.05482	3.6
91.42535	1.0
92.05806	0.9
93.05791	1.4
93.07039	1.9
94.06584	8.0
94.07152	1.1
95.04977	24.8
95.08573	2.2
96.04498	1.9
96.08108	3.3
98.06076	11.3
98.97570	2.0
100.03979	3.7
105.07016	3.5
106.06550	3.8
107.07397	1.4
107.08608	14.5
108.07429	1.3
108.08137	21.9
111.04476	1.5
111.98470	1.3
112.07587	3.9
113.06023	12.9
116.98574	1.0
118.03714	1.4
122.06017	1.0
122.09684	20.4
124.07594	3.1
124.11229	1.5
125.06016	2.4
126.05471	1.0
126.09142	2.6
131.96150	3.0
132.95844	4.2
133.10081	1.2
134.06020	1.8
136.07544	4.5
138.09143	3.2
139.06973	3.6
140.10710	13.1
146.03212	2.4
149.97244	1.8
150.09161	73.5
150.96936	4.5
151.03929	15.1
151.05046	1.4
152.07082	3.3
152.10706	12.6
154.97746	1.2
155.97421	2.6
168.10207	14.4
172.98827	1.8
173.98485	3.2
177.23628	1.0
178.04886	1.2
178.05896	2.5
178.08620	3.3
179.07027	3.1
196.06113	1.5
196.09720	23.8
196.16965	3.1
197.08115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0972
Annotation	alpha-Methyl-m-tyrosine
Peak:m/z	Relative Intensity
53.03946	1.2
55.01878	8.3
55.05524	8.9
56.05044	7.7
56.96566	8.0
57.03442	5.8
57.07066	1.6
61.02936	1.5
62.75891	0.9
65.03944	2.8
65.06824	0.9
67.04288	1.0
67.05514	32.7
67.05874	1.6
68.05032	5.4
69.03442	5.8
69.07084	6.2
70.06604	5.0
70.71374	2.2
70.95871	2.3
71.04988	5.8
72.93813	1.1
73.02900	1.3
75.84435	0.8
77.09739	1.0
79.05490	8.1
80.05022	3.6
81.03426	1.3
81.07060	2.7
82.06603	3.0
83.04985	1.0
84.04516	100.0
84.08153	23.9
84.08531	0.9
85.02913	10.0
85.06551	2.5
86.06077	3.5
87.04464	1.3
88.91518	0.9
91.05502	3.0
93.05809	3.1
93.07079	2.5
94.06577	10.2
95.04980	23.4
95.08614	3.5
96.04527	6.0
96.08147	2.9
97.02913	1.5
98.06075	11.9
98.97572	4.8
100.04002	4.3
103.37579	0.9
105.07024	5.1
106.06561	5.1
107.07359	2.8
107.08607	13.1
108.08131	28.4
110.06062	2.6
110.09676	7.2
110.97591	1.9
111.53687	1.7
111.98492	2.8
112.07629	4.2
113.06025	13.3
116.98635	1.4
118.92120	1.1
120.05199	0.9
121.06517	0.9
122.06065	1.8
122.09680	29.1
123.06848	1.5
123.08083	2.2
123.53638	1.2
124.07594	6.3
126.09194	1.8
127.91773	0.9
128.98669	1.4
130.08649	2.6
131.96185	4.2
132.08125	1.8
132.95866	3.0
134.06047	2.8
136.07582	3.5
136.93202	2.8
138.09151	18.3
139.06990	2.6
140.10724	13.4
140.11732	1.5
149.97263	3.7
150.09158	78.9
150.96933	2.6
152.07108	3.4
152.10733	8.2
153.54697	0.9
154.94250	4.8
154.97774	1.7
155.97452	1.6
156.03343	2.2
160.07590	2.2
168.03290	1.3
168.10228	22.9
172.95428	4.7
172.98906	1.5
173.98546	2.3
174.04488	1.0
178.08707	4.2
186.04410	3.2
196.09731	41.9
196.16948	1.7
204.05318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0971
Annotation	alpha-Methyl-m-tyrosine
Peak:m/z	Relative Intensity
53.03963	0.9
53.62630	0.6
55.01878	7.8
55.05516	11.1
56.05046	6.0
56.96570	3.5
57.03446	8.9
57.07076	1.4
61.02929	1.7
65.03932	4.2
67.04271	0.8
67.05512	34.2
68.05038	4.3
69.03440	4.1
69.07076	5.0
69.18932	2.0
69.19351	4.8
70.06602	1.9
71.05002	6.2
73.02913	1.8
79.04665	0.6
79.05496	8.1
80.05028	2.9
81.07057	2.1
82.01476	1.1
82.02934	1.0
82.06589	3.0
83.04957	1.0
84.04514	100.0
84.08151	25.5
85.02917	10.2
85.06571	1.6
86.06087	3.6
89.00929	0.6
91.05494	2.7
93.05805	2.5
93.07055	1.2
94.06584	10.1
95.01344	0.8
95.04980	23.1
95.08633	2.8
96.04498	2.5
96.08144	4.5
97.02889	1.4
98.06068	12.5
98.97607	1.4
100.02462	0.6
100.03980	4.5
101.00903	3.9
101.01472	0.6
103.56623	0.7
105.07031	4.4
106.06564	5.1
107.07341	2.1
107.08605	13.4
108.08132	27.4
110.06074	3.2
110.09708	0.9
112.07614	3.4
113.00868	3.1
113.06015	13.9
114.60888	0.6
115.02451	1.0
116.98524	0.8
119.01915	4.8
121.08935	1.8
121.32842	0.6
122.06016	0.6
122.09681	20.2
123.08065	1.6
124.07601	5.4
124.11222	1.2
126.09155	1.4
129.04028	0.8
131.01936	6.0
132.08133	2.5
133.03479	1.1
134.06041	1.9
134.09689	2.0
136.07622	3.3
138.09186	1.0
140.10713	13.2
143.01935	0.7
145.03485	1.6
147.03294	0.8
149.02950	0.8
150.09158	80.2
151.09489	0.9
152.07039	3.7
152.10724	9.2
154.03612	1.0
154.97949	0.7
155.01924	4.5
160.07614	1.6
161.02962	0.8
168.10222	15.6
172.99326	1.3
173.02972	7.6
177.00758	0.9
178.08614	3.8
182.08203	0.7
185.02977	0.7
187.02657	1.1
191.03979	1.6
196.04561	1.7
196.09715	36.9
197.19817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.097
Annotation	alpha-Methyl-m-tyrosine
Peak:m/z	Relative Intensity
50.01567	0.6
55.01878	8.8
55.05517	8.8
55.55512	0.7
56.05039	7.1
56.96564	2.9
57.03445	6.7
57.07074	1.3
64.85970	0.6
65.03944	4.5
67.04234	0.8
67.05507	33.8
68.05022	2.7
69.03436	5.4
69.07070	4.8
70.06519	0.8
70.06850	1.9
70.95860	1.0
71.04984	5.1
72.04488	1.0
73.02915	0.8
79.05499	7.8
80.05027	2.8
81.03392	0.7
81.07049	2.6
82.06589	2.7
83.04965	1.7
84.04508	100.0
84.08147	25.6
84.13670	0.7
85.02914	9.5
85.06542	1.8
86.06070	3.4
91.05486	2.3
93.05796	2.5
93.07037	1.1
94.06568	10.2
95.01312	1.1
95.04975	25.3
95.08624	2.6
96.04513	1.8
96.08115	2.2
97.02891	1.3
98.06060	10.1
98.97581	2.0
100.03977	3.6
102.59479	0.7
105.05836	0.8
105.07046	4.2
106.06568	5.2
107.07400	0.9
107.08598	13.2
108.08123	27.0
108.08868	1.3
109.06526	1.2
110.06035	3.0
110.97588	0.8
111.07535	0.8
111.98463	1.5
112.07628	4.1
113.06018	14.2
116.98580	1.1
117.05783	1.7
119.51241	0.8
120.08115	0.8
121.08943	1.2
122.06088	1.0
122.09682	19.4
123.08075	1.5
124.07609	6.0
131.96181	2.2
132.08080	2.6
132.95821	1.6
134.06036	2.9
134.09654	2.3
136.07542	2.4
138.09181	1.7
139.06961	0.8
140.10718	15.0
145.03323	0.8
149.97205	1.3
150.09148	75.5
150.96941	2.2
152.05930	0.9
152.07101	3.3
152.10733	9.1
154.94217	1.6
155.97435	1.9
160.07608	1.2
168.10207	16.6
172.95378	1.0
172.98886	1.1
173.98524	1.7
178.08646	3.3
190.95308	0.9
196.09700	39.7
196.17015	1.0
197.10036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02376	0.3
52.03163	0.3
53.03945	0.9
55.01878	2.5
55.05507	0.4
55.54028	0.3
56.96559	0.9
57.03417	0.4
57.07086	0.3
59.04990	0.3
65.03938	2.1
67.05511	2.6
69.07072	0.4
70.95871	4.1
71.01369	0.3
71.39950	0.6
72.93785	2.3
73.02918	20.2
79.05489	0.6
80.02657	0.3
81.07027	0.6
84.04492	1.1
85.02898	0.6
85.04853	0.4
88.96898	0.4
90.94839	0.4
91.03941	0.4
91.05480	3.1
93.03392	1.4
93.07021	0.7
95.04968	1.6
97.02888	0.3
97.06499	0.4
105.04552	0.5
105.07026	1.5
106.17001	0.3
107.08597	2.2
108.02116	2.0
109.06509	0.6
110.03667	2.5
111.04439	1.9
111.98463	3.1
117.03390	0.4
119.04951	2.3
119.08557	0.5
121.03973	0.6
123.04483	0.6
125.05995	13.6
129.99527	0.9
132.95831	7.2
133.10121	1.8
135.11691	1.0
136.01578	0.4
137.05992	1.4
141.05482	2.6
147.04417	0.5
149.05980	2.2
150.96895	5.7
151.03911	100.0
151.05005	8.5
151.07454	3.4
151.09465	1.1
152.04254	1.1
154.90691	0.3
155.97429	3.5
161.09596	0.6
162.60144	0.3
166.63266	0.3
173.98488	4.8
175.53693	0.3
179.07037	19.4
179.10522	2.1
180.07327	0.4
197.08073	5.2
197.09666	0.5
197.11661	2.2
198.18529	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	197.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01879	2.2
55.05506	0.8
56.96567	1.1
57.03416	0.8
57.07055	0.4
57.89166	0.3
65.03949	2.4
67.05515	2.5
68.05830	0.4
68.51037	0.3
69.03439	0.4
69.07063	0.5
69.74532	1.6
70.95869	3.4
71.01354	0.5
71.04993	0.4
72.93798	1.7
73.02925	19.7
79.05491	1.0
81.03416	0.5
81.07066	1.5
83.04980	0.4
84.04518	1.5
84.08138	0.4
85.02902	0.8
85.04850	0.5
88.96896	0.3
90.94835	0.6
91.05482	4.3
93.03418	1.4
93.07050	1.4
95.04983	2.1
95.08627	0.7
96.05344	0.4
97.06539	0.6
98.97582	1.0
105.07041	2.8
107.04974	0.3
107.08602	10.7
107.09292	0.7
108.02089	2.1
109.02909	0.4
109.06551	1.4
109.08489	0.3
109.10171	1.0
110.03683	2.6
111.04469	1.8
111.98477	3.0
113.06010	0.4
113.96416	0.5
117.40993	0.3
119.04951	2.1
119.08590	0.8
121.10112	0.4
123.04430	0.7
123.08115	0.6
125.06004	14.7
129.99498	1.0
131.08618	0.4
132.95848	7.0
133.10146	7.3
135.08122	0.4
135.11713	2.4
136.01567	0.5
136.05197	0.4
136.97955	0.4
137.05992	2.1
137.09625	0.5
141.05481	2.4
141.11070	0.4
143.09875	0.3
145.02855	0.5
149.05972	3.2
150.96925	6.1
151.03926	100.0
151.05022	8.8
151.07477	3.4
151.09529	1.0
151.11127	0.5
152.04298	0.5
155.97461	3.6
161.09659	2.2
162.35448	0.3
164.04741	0.4
173.98524	5.0
177.05472	0.8
179.07060	16.7
179.10632	4.3
179.12151	0.4
180.07292	0.4
182.07228	0.5
197.08069	4.5
197.09775	0.7
197.11719	5.0
197.13391	0.4
198.18559	2.4
199.11223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03955	5.9
55.01870	1.2
55.05515	2.7
56.96554	1.3
57.03442	1.8
57.07084	1.7
59.05000	2.0
65.03948	1.7
67.04272	0.5
67.05518	4.5
69.03432	1.2
69.07072	2.2
70.95875	5.9
71.01378	0.8
71.08145	0.7
71.08481	1.0
72.93798	2.5
73.02926	1.6
77.03934	1.9
79.05503	8.5
81.03429	0.6
81.07066	5.5
83.04994	1.1
83.08665	0.8
84.04520	1.3
86.09769	0.8
90.94839	1.2
91.05493	13.3
93.07056	16.7
95.04978	11.9
95.08630	2.4
97.02894	0.8
97.06526	1.8
98.97614	0.8
99.04443	0.6
105.03406	100.0
105.07040	20.8
106.03715	1.1
107.04971	0.8
107.08607	49.2
109.06537	3.7
109.10191	4.0
111.08083	0.8
111.98483	4.3
113.96386	0.6
115.05479	0.6
117.07079	1.0
117.25623	0.6
118.03582	0.6
119.04963	2.3
119.08582	6.5
121.06500	4.4
121.10162	0.7
122.12924	0.6
123.04445	7.2
123.08086	0.9
123.11720	2.5
125.06001	3.3
127.03917	1.4
129.99532	1.7
131.08588	2.1
132.95862	11.3
133.06532	1.0
133.10144	47.9
135.08122	1.6
135.11708	37.0
137.05995	4.6
137.09627	2.5
138.07802	0.6
141.05464	0.9
142.82520	0.5
143.08536	1.0
146.07307	1.3
147.04446	4.1
150.96906	11.4
151.03928	4.1
151.07567	1.6
151.11200	4.0
153.01843	6.6
155.97458	6.0
161.09644	22.2
167.10541	0.6
173.98518	7.6
179.03423	1.6
179.07283	4.9
179.10693	64.9
180.11130	1.3
197.04468	4.2
197.05986	0.9
197.11749	41.5
198.18544	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03941	1.4
55.01866	2.1
55.05498	3.4
55.93519	1.6
56.96567	4.1
57.03439	1.6
57.07059	2.3
61.02920	1.1
65.03931	2.0
67.05508	5.8
67.07875	0.7
69.03415	3.1
69.07056	3.7
69.60130	4.6
70.95863	9.9
71.01333	1.3
71.04972	2.4
72.93807	5.3
73.02913	2.1
79.05492	8.5
81.03424	1.2
81.07066	10.8
83.04986	2.2
84.04520	4.6
85.02902	1.7
85.04857	1.0
86.09692	1.5
91.05483	17.3
93.07049	21.9
95.04970	5.0
95.08625	5.8
97.02917	2.1
97.06516	2.9
98.20820	1.9
98.97594	2.2
99.04485	1.1
105.03419	1.0
105.07043	30.3
107.08601	100.0
108.08926	1.7
109.06531	6.2
109.10145	6.6
111.04392	1.0
111.98499	8.9
115.05502	1.0
116.98637	1.0
117.07017	1.0
119.01883	1.4
119.04964	2.1
119.08590	16.1
121.06475	3.7
121.10152	15.2
123.04383	1.2
123.08056	2.7
123.11700	3.3
123.37550	0.9
125.05920	0.9
125.09641	0.9
129.99495	3.2
131.08568	4.0
132.95854	19.0
133.10139	62.0
134.10469	1.9
135.11665	5.4
137.05972	5.0
137.09619	13.5
138.06813	1.1
139.07530	3.3
141.05438	1.4
141.06953	2.5
143.01964	0.9
143.08534	3.4
146.17827	0.9
149.09627	9.9
150.96901	17.4
151.03917	5.4
151.07558	3.8
151.09479	2.1
151.11186	17.4
152.10742	1.1
155.97440	12.1
161.09628	16.7
167.10693	24.3
169.06505	2.4
169.10146	0.8
170.11797	2.0
173.98503	12.5
179.05908	1.1
179.10686	40.4
197.06013	6.1
197.09839	1.8
197.11726	46.2
198.18535	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	197.1175
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03926	1.5
55.01663	0.9
55.01877	9.8
55.05517	8.0
56.96553	1.9
57.03449	1.2
57.07074	1.3
61.02941	1.0
61.19402	0.8
65.03928	2.1
66.60501	0.8
67.05523	5.3
69.01490	0.8
69.03408	3.2
69.07048	3.3
69.77541	1.9
69.77964	3.4
70.95870	8.4
71.01329	1.1
71.04969	1.9
72.93798	5.5
73.02897	1.6
79.05502	13.5
81.07069	33.6
83.04969	2.0
83.08611	1.5
84.04488	1.5
84.08141	1.0
85.02937	1.0
88.96925	1.1
91.04971	1.4
91.05492	22.1
93.07055	19.7
94.07376	0.9
95.04948	3.1
95.08627	5.1
97.06513	2.9
98.97549	1.8
99.04422	2.4
105.03371	2.4
105.07042	28.8
107.04975	1.2
107.08606	91.5
109.06527	17.6
109.10169	7.6
111.04453	6.9
111.98501	6.6
112.11095	0.8
115.05452	3.3
116.98592	1.0
117.07069	1.0
118.07764	1.4
119.04911	2.1
119.08588	13.5
121.06458	2.8
121.10156	14.2
123.08048	3.0
123.11687	3.6
125.05999	15.3
125.09599	1.1
127.03925	5.2
128.06206	1.7
129.99474	1.9
131.08539	3.2
132.05701	1.0
132.95863	15.1
133.06471	1.7
133.10141	58.6
134.10454	1.0
135.07994	1.3
135.11696	6.6
137.05991	100.0
137.09579	3.3
138.06310	2.2
139.07529	2.7
141.06958	3.6
143.08553	4.3
146.07243	2.4
149.09618	5.6
150.96912	16.9
151.03922	4.5
151.07480	2.7
151.11201	18.3
155.97432	10.4
161.09636	17.8
165.05460	2.2
167.09338	1.3
167.10692	18.6
169.06418	5.3
173.98520	12.7
179.10661	41.1
179.12154	2.3
197.05988	10.3
197.11693	48.6
197.13367	2.6
198.18553	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01876	1.2
55.05519	1.7
55.57675	0.5
56.96580	0.6
57.07074	0.9
57.75888	0.5
59.05005	1.6
59.78306	0.5
63.79268	0.5
65.03947	1.8
67.05509	3.9
67.31367	0.4
69.03428	0.9
69.07066	0.8
69.25681	0.5
69.42262	2.4
69.42661	1.2
70.06590	0.5
70.95871	4.5
71.01360	0.6
71.05052	0.5
72.93806	2.5
79.05500	4.9
81.07066	6.0
82.10571	0.5
83.04455	0.5
83.05015	1.4
83.08627	0.8
84.04497	0.8
91.05489	13.3
93.07052	8.2
95.04990	2.1
95.08609	3.0
97.02925	0.7
97.06524	0.7
99.04475	1.1
99.08110	0.5
105.07040	19.0
107.08607	100.0
108.08224	0.6
108.08942	1.8
109.06516	3.5
109.10174	7.1
111.04469	0.9
111.98502	4.2
117.07043	0.9
118.07808	0.7
119.04956	1.2
119.06068	2.1
119.08588	5.5
121.06526	3.5
121.10162	1.0
123.04424	0.9
123.08083	1.2
123.11713	1.6
129.99519	1.4
131.08585	2.0
132.95848	6.9
133.10146	59.9
134.10501	1.3
135.08083	1.0
135.11705	15.6
137.05978	3.1
137.09647	3.0
139.07619	0.6
140.04698	1.9
141.07028	2.1
143.08574	0.9
146.07306	1.6
148.64653	0.5
150.96912	6.0
151.03902	1.7
151.09486	0.7
151.11205	3.6
151.33624	0.6
153.06961	0.8
154.07768	1.1
155.07024	2.0
155.97430	4.2
161.09631	16.9
167.10750	0.5
169.10211	1.2
173.98488	4.3
179.08783	1.1
179.10686	24.4
180.11041	0.7
181.06377	0.7
182.07304	0.9
197.06047	2.4
197.09776	2.3
197.11748	47.8
198.12042	0.5
198.18549	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03959	0.8
55.01899	1.4
55.05508	3.2
56.96581	1.0
57.03449	0.9
57.07109	1.4
59.05005	3.4
65.03969	1.1
67.05507	4.8
69.03444	1.6
69.07101	1.3
70.56191	2.5
70.95894	3.1
71.05015	1.0
71.08662	0.6
72.93819	2.8
72.97350	0.6
73.02934	0.8
74.16524	0.6
77.03943	1.2
79.05502	4.8
81.03440	0.6
81.07059	7.5
81.07452	0.6
82.13100	0.6
83.05015	0.9
84.04527	1.8
85.06544	1.3
88.96938	0.8
91.02169	0.6
91.05482	20.0
93.07045	25.7
95.04962	6.3
95.08601	3.2
97.06561	1.3
103.05475	0.7
105.07034	32.9
107.04999	1.0
107.08597	70.4
109.06516	7.0
109.10168	6.8
111.98485	4.3
113.06031	1.2
115.05450	1.3
117.07025	1.3
119.04982	2.9
119.06123	1.4
119.08582	9.7
121.06497	6.6
121.10139	1.7
123.04432	3.6
123.08069	1.7
123.11722	2.9
125.06046	1.0
129.99500	0.7
131.08592	3.1
132.95840	7.5
133.06432	1.1
133.10133	73.2
134.10442	0.8
135.08055	1.9
135.11697	57.6
136.12019	0.7
137.05971	4.1
137.09624	4.5
141.06975	1.3
143.08589	2.2
146.07298	1.7
150.96886	7.1
151.03914	1.7
151.11186	6.4
155.97409	4.6
161.09628	38.2
170.15314	0.7
173.98500	5.3
179.10675	100.0
180.11128	0.8
197.05917	1.7
197.11726	71.0
198.12198	1.1
198.18530	6.1
207.24873	0.7
212.90398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13962	0.4
53.03961	0.7
55.01880	1.0
55.05507	2.2
56.96581	0.8
59.01074	0.4
59.05013	0.9
65.03947	1.7
65.24332	0.4
67.05516	3.3
69.03432	0.9
69.07074	1.3
70.71603	1.1
70.71921	0.5
70.95868	4.1
71.01373	0.9
71.04998	0.9
72.93447	0.5
72.93788	2.8
73.02906	0.9
77.47073	0.5
79.05489	4.7
81.03415	0.6
81.07062	7.5
81.54052	0.5
83.04975	1.2
83.08629	0.9
85.06541	0.8
88.96918	0.5
91.05489	14.5
93.07053	9.3
95.04980	3.2
95.08614	2.8
97.06552	1.4
99.04457	1.4
99.08102	0.8
103.05428	0.6
105.07037	19.5
106.04144	0.5
107.08602	100.0
108.08927	1.0
109.06509	4.4
109.10162	6.0
111.08071	0.8
111.98495	4.0
115.05450	0.7
117.06999	0.6
119.04923	0.8
119.06071	1.2
119.08588	5.2
121.06504	3.2
121.10139	0.7
123.04446	1.2
123.08090	0.6
123.11711	1.5
125.06045	1.0
129.07019	0.7
129.99512	1.9
131.08569	1.6
132.95854	9.0
133.02885	0.6
133.10136	58.6
134.10472	1.0
135.08087	1.0
135.11696	15.8
137.05991	4.0
137.09608	3.6
139.07530	0.7
140.04726	3.7
141.07004	2.4
142.06508	0.7
143.08624	0.8
146.07298	1.6
150.96893	7.4
151.03889	2.1
151.07645	0.5
151.11200	4.0
153.06993	0.9
153.57281	0.5
154.07721	1.6
155.07068	3.6
155.10719	0.6
155.97427	4.8
161.09631	16.1
165.05516	0.6
167.08618	0.6
169.06433	0.6
169.10130	1.4
173.98514	7.1
179.07176	0.8
179.08636	1.5
179.10675	25.8
180.11067	0.6
182.07254	1.5
182.10910	0.6
191.52075	0.5
197.05975	1.9
197.07986	1.2
197.09683	3.7
197.11731	46.7
198.12115	0.6
198.18539	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	200.0919
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
50.03949	1.0
53.03958	1.0
53.57949	0.9
55.01862	3.1
55.05521	2.5
56.05049	2.4
56.96553	3.0
57.03186	1.5
57.03442	18.8
58.99858	1.4
61.02924	1.8
64.23333	1.1
67.05504	2.0
67.11165	1.1
67.75964	1.2
68.05016	3.1
69.03425	4.6
70.06599	99.5
71.04993	2.9
71.53461	1.4
72.08164	8.3
73.02935	5.4
76.47952	1.1
79.05483	2.1
80.05018	1.4
81.03416	3.5
81.07043	3.6
82.01431	1.7
83.04981	1.0
83.06116	0.9
84.01176	1.1
84.04510	17.8
84.08150	2.2
85.02913	100.0
86.03312	1.5
86.06046	1.8
86.09689	1.6
87.04469	2.0
88.69150	1.0
91.02460	0.9
91.05482	1.7
93.07044	3.2
94.06577	15.9
95.04968	1.1
96.08149	1.5
97.02885	3.4
97.06544	1.6
98.06034	2.1
98.09679	1.5
98.97588	9.6
99.04454	2.6
100.02480	1.9
100.04013	1.7
101.00884	2.1
102.02232	1.5
107.01960	1.0
107.59945	1.0
108.08126	17.3
109.06515	1.7
110.01254	1.7
110.97589	3.5
114.09158	1.4
116.07104	30.5
116.98622	2.7
119.01879	9.0
120.02017	1.2
120.03209	1.2
122.06001	1.2
125.01789	1.3
126.09167	9.8
128.98627	1.9
131.01862	2.7
136.07597	24.4
137.02847	2.2
137.05995	1.2
138.05473	1.2
138.09149	7.8
140.07135	1.6
143.01877	1.5
144.99815	4.2
146.02289	1.1
147.90132	1.1
150.00401	1.2
154.08644	42.4
156.10187	2.2
158.99706	1.5
161.02835	2.1
164.07069	4.8
168.01445	4.6
171.50487	1.3
173.03029	1.2
175.02702	1.3
177.00838	2.0
177.02463	3.7
182.08136	25.8
182.11700	1.9
184.09549	1.2
187.00870	1.1
189.00687	1.5
200.04092	4.8
200.09154	16.5
200.10834	1.7
200.12889	10.5
200.19154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.9
55.01861	8.7
55.05515	30.8
56.05061	5.8
56.96570	89.3
57.03435	8.3
60.04520	21.7
61.02930	9.6
67.05495	8.6
69.03433	17.0
69.07065	5.8
69.54739	17.8
69.55170	20.0
70.06576	8.4
71.05013	6.8
72.08162	44.1
73.02925	11.9
73.08502	9.7
73.73703	5.4
74.06050	4.8
77.00731	6.1
79.05496	18.4
81.03444	7.6
81.07064	37.0
82.01444	10.6
83.05010	11.6
84.04486	11.4
84.08151	12.9
84.96018	6.8
85.02892	26.0
86.03275	7.4
86.06071	6.6
86.09719	36.4
87.02705	22.9
91.05491	18.4
93.07045	8.3
94.99857	5.6
95.08628	13.4
97.02902	22.2
98.06083	35.5
98.97599	65.8
99.04438	9.6
100.02480	36.3
101.00942	5.5
102.03740	6.5
103.02188	10.4
105.07028	19.0
107.08582	8.1
109.10202	9.9
114.05500	8.0
115.05445	6.9
116.98625	47.8
118.03526	11.8
119.01901	18.1
119.04939	12.6
119.08602	14.2
124.02498	48.1
126.03274	5.8
128.98633	12.3
129.06989	5.5
130.06523	44.1
131.00172	5.2
132.10182	29.8
133.03047	56.2
133.10120	14.0
134.99667	17.8
136.05215	9.3
137.02925	6.8
138.02242	8.4
141.11078	10.7
142.07762	6.1
145.10185	5.5
146.99675	8.9
147.02736	11.3
147.03374	6.1
147.04416	32.4
147.08130	6.5
147.11710	15.0
148.97746	7.0
149.01231	5.7
151.04869	6.6
152.02003	21.0
152.05649	6.3
156.04106	5.9
157.06448	10.0
157.07600	80.3
157.10201	9.6
158.97885	8.0
158.99699	12.2
160.05400	7.4
161.01254	8.0
161.02913	11.2
161.09644	6.2
165.04553	15.2
166.05396	29.5
171.04626	15.7
175.07545	11.9
176.00540	10.0
177.00731	21.7
179.04123	6.7
179.97946	15.2
180.05121	100.0
180.55278	14.7
185.09547	9.4
185.13638	6.1
188.04733	6.5
189.05638	32.1
196.97952	6.7
197.99150	35.7
203.03461	14.9
203.05304	52.4
203.06871	11.7
203.08205	34.1
203.10672	19.9
203.14473	18.8
203.17986	19.8
204.08669	6.6
219.01836	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	203.1393
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
51.64677	0.8
53.03940	1.2
53.88677	0.8
54.21103	0.9
55.01862	2.5
55.05505	3.4
56.96571	12.2
57.03434	3.5
60.04535	6.8
60.07906	0.8
61.02925	2.7
67.05488	1.0
68.05032	1.7
69.03426	3.3
69.07073	2.0
70.06586	3.1
70.38335	2.7
71.01357	1.1
71.06922	1.0
72.04519	1.2
72.08173	4.6
72.95481	0.9
73.02917	4.0
79.05477	1.4
81.03423	1.5
81.07049	2.2
84.04495	3.6
84.08143	3.1
85.02911	5.9
86.06052	1.0
86.09715	100.0
87.04463	1.0
87.10041	1.2
91.05478	2.6
94.04184	1.9
94.12067	0.8
95.08609	1.6
96.04482	2.4
97.02885	5.2
98.06072	1.7
98.97591	16.9
100.02486	2.0
101.00860	3.1
105.07034	2.1
109.02848	0.9
110.97507	1.3
113.00871	1.3
114.05568	2.1
116.07128	0.9
116.98631	9.7
118.03560	1.1
119.01893	5.8
119.08586	1.6
121.10107	1.1
126.05540	2.2
128.98640	1.4
129.07047	1.0
131.00136	1.4
131.01903	1.6
132.10216	75.9
134.99684	2.9
137.02968	2.0
143.01918	3.7
147.11726	1.5
149.01218	1.6
155.01906	2.0
155.04654	1.7
156.97398	1.1
157.03439	1.3
157.13396	10.3
158.99651	2.0
159.12071	1.7
161.03001	5.0
161.09625	1.2
165.04300	0.9
173.02994	3.3
174.98511	1.1
177.00726	1.9
179.05908	1.6
179.97952	1.1
185.09892	0.9
188.08429	0.9
197.99162	2.3
203.03737	1.2
203.05310	6.2
203.07208	4.0
203.10663	2.7
203.13948	4.9
203.17963	2.6
204.08621	1.8
204.13850	1.8
221.05075	1.8
221.07004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1226
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.01599	0.5
50.73484	0.3
51.02394	0.7
53.03954	4.1
55.01873	1.2
55.05508	2.3
56.96567	3.1
57.03443	0.7
57.07076	1.8
58.06623	0.3
60.04530	0.6
60.90973	0.3
60.95864	0.7
61.02936	0.6
65.03954	2.3
65.12661	0.3
67.05513	1.1
69.03438	2.0
69.07074	1.1
69.65715	0.6
69.66124	1.4
70.06590	0.4
71.05002	0.6
72.08168	1.1
73.02911	0.9
73.08498	0.7
77.03951	0.8
79.05502	1.5
79.38665	0.3
81.03434	2.3
81.07064	1.2
83.04993	4.2
83.08642	0.7
84.08143	0.4
85.02903	1.9
85.06538	0.9
87.04465	0.4
89.03928	0.4
91.05490	18.2
93.07055	60.4
94.07394	0.4
95.04977	5.5
95.08619	0.5
97.02895	3.4
97.06500	0.5
97.96878	0.4
98.09658	0.5
98.97601	2.9
99.04483	0.5
101.06029	0.8
102.04734	0.3
102.09185	1.4
102.96883	2.2
103.05492	3.0
105.03410	4.2
105.04504	2.4
105.07054	2.2
106.03719	0.5
107.04956	1.5
107.08597	1.6
109.02888	1.3
109.06522	0.6
111.04460	0.8
115.05465	1.0
115.07546	0.6
116.98645	1.0
117.07030	2.7
118.06541	0.4
119.00162	0.3
119.04964	0.6
119.08591	1.6
120.08095	0.4
120.97912	1.0
121.02977	1.9
121.06519	100.0
121.10143	1.0
122.06834	1.3
123.11719	0.6
127.03914	1.4
127.07638	0.4
128.10733	2.6
129.06987	1.0
130.07788	0.3
130.82108	0.3
131.00189	0.4
131.04924	0.9
131.08603	1.5
133.10132	0.7
135.04483	0.4
135.08081	1.2
135.11694	1.1
143.07021	0.7
144.09329	1.4
145.02847	1.6
145.06531	2.1
145.10187	2.1
146.05989	0.6
147.04408	1.3
147.08031	0.8
149.01166	0.8
149.02354	12.5
149.05983	1.0
149.13252	0.4
151.03918	0.6
155.06009	0.5
159.08107	0.5
159.11697	3.5
162.98990	0.8
163.02776	0.6
163.07631	0.3
163.11186	1.4
172.08861	0.8
173.01216	0.5
173.06042	0.6
174.11282	5.0
175.11273	0.4
177.05516	1.0
177.12813	2.2
181.00024	0.6
181.01509	0.3
187.07565	0.6
187.11139	1.4
188.07079	0.9
191.02287	0.7
205.05045	4.3
205.06886	0.7
205.08519	1.5
205.12238	13.8
205.14040	1.0
205.15819	0.6
206.12099	0.7
206.13863	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	206.0814
Annotation	Indolelactate
Peak:m/z	Relative Intensity
50.01590	0.5
51.02386	1.3
53.03955	4.4
55.01874	0.7
55.05513	7.2
56.05025	1.0
56.96569	10.7
57.03437	1.0
58.06619	0.6
59.05001	1.2
61.24606	0.4
65.03954	1.0
67.05510	1.8
68.28626	0.4
68.99793	0.6
69.03427	0.9
69.69886	2.5
70.02975	1.0
71.04993	0.9
72.04506	1.3
77.03943	1.1
79.05497	1.2
81.03425	1.6
81.07061	1.1
83.04987	19.4
84.08146	2.0
84.08984	0.4
84.96034	1.6
85.02906	0.6
85.06548	1.1
85.08926	3.4
86.09752	0.5
87.00815	2.0
87.08115	1.4
91.05493	4.6
93.03394	0.8
93.07060	3.0
95.04969	5.8
95.08604	0.6
97.02886	1.0
97.06525	1.6
98.09702	5.0
98.97589	9.1
100.07626	1.3
100.11272	0.9
101.06020	7.6
102.09186	12.9
103.05473	15.0
105.03398	58.3
105.04543	2.8
105.07027	0.9
106.03736	3.3
107.08582	1.0
110.09695	0.9
110.97550	0.6
111.04468	2.3
112.99107	0.7
115.05458	1.8
115.07581	4.7
116.05296	0.6
116.98637	4.0
117.05747	1.4
117.07024	0.8
118.06548	35.3
119.04952	1.0
120.08112	100.0
120.73178	0.5
121.08435	0.9
124.99125	0.7
125.05996	2.0
126.09170	1.2
128.04968	2.1
128.10721	19.4
128.98622	1.0
129.05479	1.2
130.06525	13.7
130.07500	0.9
131.00165	1.7
131.07327	1.3
132.08101	4.5
133.06461	0.5
134.99655	1.5
137.05962	0.5
142.06531	2.1
143.00153	1.3
143.07036	5.0
144.08096	2.7
144.98094	0.8
146.06010	24.6
147.04402	1.1
149.01212	3.1
149.02359	1.2
150.02676	1.4
150.58327	1.0
150.97058	1.7
156.10201	1.5
158.01183	0.5
158.99628	0.5
160.07587	10.6
160.12041	0.6
160.13304	1.0
161.01216	1.8
161.02908	0.4
161.06023	1.0
162.99074	0.6
164.04655	0.4
167.02299	1.3
168.98083	4.2
170.06027	7.6
170.99666	0.7
173.01213	1.9
174.11267	34.1
177.00711	0.6
178.08708	0.6
179.07040	0.7
182.99626	0.6
184.02870	0.7
186.99150	9.8
188.07069	17.1
189.00687	0.7
191.02266	1.5
191.14299	1.2
192.04080	0.6
197.01207	0.5
201.00717	3.0
205.00221	2.3
205.60208	0.9
206.05269	0.6
206.08110	12.7
206.12271	1.0
206.13878	21.3
207.06567	2.2
210.00488	0.6
219.01784	4.3
225.00589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0815
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
53.03955	1.0
54.03485	1.1
54.67768	0.5
55.01881	0.8
55.05509	7.7
56.05035	1.1
56.96567	3.5
57.03444	1.0
58.06611	1.0
59.05017	0.8
63.51206	0.5
65.03939	3.7
67.05506	23.6
68.06314	0.6
69.03447	1.5
69.07081	2.2
70.06612	1.0
71.05009	1.6
71.54195	0.5
71.54649	0.7
72.04529	1.7
79.05491	5.6
80.05046	1.2
81.03431	2.1
81.05817	0.5
81.07053	4.6
82.02936	3.5
82.06587	0.6
83.04984	18.4
83.05453	1.0
84.04525	2.3
84.08153	3.8
85.02887	0.6
85.06576	1.3
85.08488	1.0
85.08927	4.0
87.08116	2.0
88.02225	0.5
91.05485	6.5
92.05837	0.6
93.05816	1.8
93.07069	1.3
94.06573	1.9
95.04971	15.0
95.05555	1.0
95.08667	1.0
96.04490	3.9
96.05788	1.9
96.08137	0.6
97.02905	1.0
97.06544	2.4
98.09702	5.8
98.97598	2.3
100.07626	1.2
101.06026	7.3
102.09180	14.1
103.05482	0.6
105.03414	2.2
105.07054	3.0
106.06583	1.4
107.04932	0.6
107.07335	3.9
107.08612	1.6
108.08123	20.0
109.08486	1.1
109.10227	0.5
110.02429	0.7
110.06058	6.6
110.09705	1.3
111.04448	2.7
111.10015	0.8
113.50722	0.5
115.05548	0.6
115.07581	5.9
116.05239	0.5
117.05775	0.9
118.04173	0.6
118.81557	0.5
119.01932	1.4
119.04921	3.9
119.08596	0.9
120.08125	0.8
120.08958	0.7
121.02908	0.6
121.06523	1.0
122.06041	2.2
122.06837	0.9
122.09669	7.4
124.07633	0.8
125.06013	2.4
126.09139	0.7
128.10716	18.9
129.05516	2.1
131.08571	0.9
132.08110	2.0
133.06497	0.7
134.06029	1.7
135.04420	0.7
135.06810	2.3
136.07614	0.6
137.11545	0.6
143.07047	4.4
146.05951	2.5
147.04430	3.6
147.11691	0.7
148.07558	0.9
149.02377	1.5
150.02652	1.3
150.09145	34.3
156.10220	2.3
160.07617	0.9
160.13300	1.1
161.05965	1.0
161.13364	0.6
174.11261	38.5
175.03902	3.2
178.08636	100.0
179.07092	1.4
179.08945	1.4
182.99577	0.8
191.14314	1.5
192.04153	2.2
201.00748	2.5
206.08127	60.9
206.12131	1.5
206.13860	24.3
206.15701	1.2
206.17303	2.1
207.06531	3.6
207.08315	1.2
207.13896	0.7
207.54495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1026
Annotation	Casuarine
Peak:m/z	Relative Intensity
51.18911	1.0
52.65197	1.1
53.03948	1.6
55.01867	4.8
55.05519	12.2
56.05033	2.0
56.96343	0.9
56.96571	8.3
57.03427	2.0
57.07069	1.5
57.50865	1.1
58.06596	2.5
59.04992	6.4
60.04516	1.7
61.02899	1.2
67.05505	3.0
69.03456	6.0
70.02962	13.4
70.06609	2.4
71.05000	22.3
71.08342	2.1
72.04523	37.1
72.08147	2.0
73.02560	1.8
73.02928	23.5
73.06541	3.7
74.02429	1.8
76.22744	1.2
80.05016	1.1
81.03439	2.5
82.06579	3.5
83.04990	32.6
84.04500	1.5
84.08137	6.0
85.02908	1.6
85.06551	4.5
85.08936	6.6
86.09686	2.2
86.20966	1.2
87.08084	1.8
88.02245	1.4
89.06042	14.4
90.05563	100.0
95.04931	1.4
95.13507	1.1
96.04510	1.5
97.02905	1.4
97.06569	2.1
98.02431	20.4
98.06047	2.2
98.09695	9.0
98.12224	1.0
98.97580	4.0
99.04469	14.7
100.03986	15.1
100.07639	2.3
101.06029	11.2
102.09189	18.3
107.05003	1.1
109.02898	1.2
110.01260	2.4
110.06049	7.8
110.97596	1.6
111.04446	3.2
112.07677	2.5
115.07579	6.4
116.03476	15.4
116.05317	1.7
116.07085	3.7
116.98605	2.3
117.05486	3.8
118.08665	2.9
119.01827	2.5
119.62440	1.2
123.41497	1.3
125.05984	2.2
126.09129	1.8
128.02319	4.0
128.03267	1.6
128.07092	55.1
128.10725	28.8
130.08644	3.1
137.02866	1.8
138.09167	1.5
140.07048	2.1
143.03043	1.2
143.07031	9.1
144.10188	2.0
146.08153	14.7
150.02689	2.2
152.07063	1.3
156.03340	1.8
156.10239	4.0
160.04279	1.5
160.07597	2.0
160.09702	11.1
170.08138	25.2
173.01219	1.8
174.01775	2.1
174.11272	57.1
182.99661	3.6
186.04547	1.5
188.09198	80.4
189.09529	1.3
194.91521	1.2
201.00717	10.1
204.05452	1.2
206.04517	1.2
206.08394	2.1
206.10233	13.5
206.12482	1.4
206.13881	33.9
206.15724	2.2
207.06718	1.9
220.72014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.8
55.05519	7.4
57.07071	4.2
59.05001	2.5
62.79524	1.1
65.03951	3.0
67.05177	1.8
67.05512	30.8
69.03431	6.0
69.07074	2.1
69.91767	5.4
71.04976	1.1
79.05505	9.9
80.87521	1.1
81.03403	1.9
81.07067	9.4
83.05018	5.7
83.32124	1.2
84.32592	1.0
85.02907	4.9
85.06552	8.3
91.05495	12.6
93.07063	17.2
95.04462	1.2
95.04970	6.5
95.08620	100.0
97.06523	1.5
98.21430	1.2
105.07041	23.1
107.05012	1.3
107.08606	20.3
108.05741	1.5
109.06544	7.2
109.10181	5.4
111.08076	3.2
111.86732	1.3
113.06002	4.9
117.07066	1.8
119.04952	3.4
119.08598	31.9
121.06527	5.3
121.10164	18.6
123.04424	1.2
123.08083	58.7
123.11713	11.2
129.07059	1.5
131.08595	5.8
133.06490	3.4
133.10149	8.3
135.08080	2.4
135.11707	3.2
137.09622	5.5
137.13327	2.7
139.07562	1.5
145.10117	3.8
147.04436	2.8
147.08069	6.5
147.11696	15.7
149.02324	1.5
149.09637	59.5
151.07565	4.7
151.14867	3.5
156.09393	2.9
159.08083	3.5
160.08836	1.3
161.09644	3.3
161.13275	18.9
163.11282	1.7
164.04689	1.7
165.09088	1.7
165.12784	12.6
171.11697	5.3
174.10439	5.2
179.07021	1.7
179.14343	3.7
184.17354	1.2
189.12784	26.0
207.06598	5.4
207.13834	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.90265	1.0
51.66650	0.9
53.03951	9.8
55.01861	1.5
55.05516	8.1
55.78887	1.1
56.96573	3.1
57.03434	1.4
65.03947	2.1
67.05511	32.9
69.03429	2.9
69.07080	8.4
70.84379	2.5
71.04990	3.7
73.06532	1.8
79.05499	57.6
81.03416	2.7
81.07071	25.7
83.04998	6.4
83.08617	3.1
84.05349	2.2
85.02920	2.1
85.06555	3.1
91.04910	1.9
91.05489	58.8
93.07053	100.0
95.04986	16.8
95.08621	10.9
97.06551	2.5
101.06048	1.5
102.06324	1.7
102.09216	2.8
103.05487	1.4
103.09550	1.8
105.04520	5.1
105.07045	32.4
105.44765	1.0
107.08614	12.7
109.06530	3.7
109.10189	1.1
115.96409	1.6
117.07028	5.4
119.04966	6.6
119.08591	20.0
121.06518	4.8
121.10162	4.5
123.04419	1.6
123.08132	5.4
123.11752	1.2
128.06229	2.0
128.10664	1.3
129.07039	11.5
129.11050	3.5
131.08577	2.6
133.06517	1.8
133.10135	8.1
135.08069	1.3
136.05234	2.3
137.05942	1.1
143.08580	7.0
145.10117	8.0
147.04434	5.2
147.08049	4.1
147.11703	60.1
149.02367	4.7
149.09627	2.2
151.07527	3.9
156.09427	1.2
161.01241	1.3
161.02937	1.3
161.09601	4.6
161.13284	9.3
161.74799	1.2
163.03925	3.2
163.47389	1.1
164.04727	6.7
165.12778	1.7
171.11705	25.0
174.03087	1.4
175.11638	7.2
176.52795	1.2
177.05473	1.4
179.07025	4.7
179.08368	1.2
189.12755	15.7
192.04228	3.3
192.09390	1.2
207.06538	18.4
207.13844	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.68235	0.8
53.78259	1.0
55.05502	2.6
56.96558	1.5
57.07074	2.4
59.04993	1.1
65.03958	4.5
65.04240	0.8
67.05517	5.7
68.47554	1.0
69.03442	2.1
69.07059	3.1
69.25164	7.0
69.25576	1.9
71.04991	2.2
77.03926	1.7
79.05507	5.7
80.06271	1.5
81.07066	18.4
83.04967	1.4
83.08635	1.4
84.08119	1.9
85.02913	100.0
85.06551	1.5
89.03911	2.4
89.52734	0.9
90.04701	1.4
91.05490	49.5
93.03378	0.9
93.07058	6.4
95.04962	3.7
95.08630	6.9
98.21525	2.0
103.05505	1.6
105.07044	16.6
107.04964	3.0
107.08604	8.4
109.06522	5.3
109.10170	15.5
111.04420	2.4
117.07022	1.5
118.04164	3.1
119.04102	2.1
119.04953	35.8
119.08591	14.1
121.06502	1.6
121.10142	12.9
123.04450	1.8
123.08095	4.2
123.11720	60.0
125.06001	12.5
128.06213	1.1
129.06995	1.2
130.07787	1.3
131.08533	4.5
132.02060	2.8
133.06508	2.0
133.10112	2.4
135.04431	1.4
135.08032	1.2
137.05937	1.1
137.09581	1.5
145.02849	1.5
145.10165	7.5
146.03615	2.2
147.04420	29.8
147.08044	5.0
147.11691	14.4
148.12050	0.9
149.02364	6.3
149.09631	14.7
151.07553	5.6
156.09340	4.1
157.03931	2.7
161.09680	1.2
161.13245	4.1
163.03944	1.7
163.11186	2.3
164.04669	3.7
165.09081	1.1
165.12737	4.5
171.11722	3.8
174.03177	1.6
174.10326	1.2
175.03925	31.6
175.11601	2.0
177.01857	2.1
179.07059	9.1
189.12776	11.1
192.04195	15.2
207.06548	28.0
207.08397	1.8
207.13821	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05520	5.3
57.07075	3.8
59.04984	2.6
65.03934	2.6
67.05513	35.8
69.03437	4.6
69.07074	3.9
70.09270	3.6
71.04994	2.0
79.05498	5.2
81.07076	6.2
81.58940	0.9
83.04996	4.9
83.08598	1.1
83.65292	0.9
85.02903	1.7
85.06554	11.6
90.70681	0.9
91.05489	14.4
93.07057	15.8
94.79950	0.9
95.04999	4.8
95.08617	100.0
97.06559	1.3
100.08941	1.0
103.05445	1.0
105.07041	18.9
107.04948	1.2
107.08617	20.0
109.06538	5.2
109.10144	5.4
113.06017	6.0
116.06218	1.0
117.07047	2.1
119.04910	1.4
119.08595	32.7
120.09351	1.3
121.06524	4.1
121.09330	1.4
121.10165	16.5
123.08085	63.4
123.11699	6.7
128.06223	1.6
129.06999	1.2
130.07840	1.0
131.08597	7.5
133.06490	1.2
133.10156	6.7
135.08060	6.8
135.11713	4.9
137.09618	4.1
137.13266	3.0
141.07021	1.2
143.08549	2.3
145.10080	3.2
147.08067	7.5
147.11708	12.7
149.09639	30.3
151.07581	2.5
151.14769	5.0
156.09386	6.4
159.08102	1.4
159.11688	1.8
160.08926	1.1
161.05994	1.1
161.09604	3.8
161.13290	16.6
163.11211	2.6
165.09125	3.9
165.12773	10.3
171.11702	6.4
174.10434	2.9
175.03964	1.0
179.06952	1.0
179.14325	3.1
189.12784	17.3
207.06546	2.2
207.13834	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03948	5.6
55.01873	6.0
55.05518	13.7
56.19645	2.1
56.96556	4.1
57.03440	4.1
57.07071	8.2
59.05003	5.8
65.03943	8.7
67.05511	48.9
69.03077	3.6
69.03439	69.6
69.07071	29.0
70.79567	6.0
71.04981	6.3
79.05058	2.6
79.05502	30.5
81.03425	14.3
81.07070	35.2
83.04987	18.0
83.08606	3.3
84.05329	4.3
85.02898	6.5
85.06549	4.3
87.98305	2.2
91.05493	37.4
91.06026	4.4
93.07059	23.6
95.04984	41.4
95.08627	25.8
97.02917	3.3
97.06534	12.7
98.97575	6.7
101.00861	2.4
105.07043	49.9
107.04971	5.3
107.08608	35.0
108.05757	3.3
109.06540	87.7
109.10159	9.6
110.07289	6.6
111.08112	11.8
115.05460	3.7
116.98714	2.3
117.07028	5.7
119.04984	19.5
119.07817	2.3
119.08595	49.2
121.06509	11.5
121.10172	29.9
123.04450	51.4
123.08092	41.0
123.11711	6.6
128.06207	2.8
128.10707	3.7
129.07034	7.1
129.11079	3.9
131.08620	14.6
133.06534	15.5
133.10149	63.5
135.08081	6.0
135.11703	7.7
136.05258	4.9
137.05998	14.9
137.09616	11.1
138.59973	1.8
143.08569	6.9
145.09106	3.1
145.10130	17.0
146.03668	3.9
146.07234	2.6
147.04404	14.2
147.08070	16.1
147.11705	39.5
149.02374	12.4
149.09625	32.3
151.07562	76.2
151.11169	2.7
156.09349	14.5
158.99722	2.2
159.11685	6.6
161.06018	14.6
161.09598	7.8
161.13278	22.1
161.23192	2.0
163.11205	22.8
164.04716	16.8
165.09068	2.7
165.12776	10.0
171.11688	15.5
174.03137	3.6
174.06721	2.7
174.10368	5.6
175.11649	8.2
179.07074	16.3
179.14279	2.6
189.09111	9.6
189.12782	42.0
192.04169	5.5
207.06554	34.6
207.13849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.23676	2.0
53.03934	4.0
55.01860	2.8
55.05504	9.0
55.76968	2.1
56.52745	2.1
56.96567	20.0
57.07069	7.2
57.78699	1.8
57.79079	1.7
59.05003	4.0
59.69749	2.1
60.22693	1.8
65.03932	2.7
67.05505	13.7
68.99763	2.4
69.03436	26.1
69.07069	4.8
69.42140	14.5
71.04996	5.5
71.95241	4.1
79.05486	15.2
81.07060	19.6
83.04977	8.9
83.08596	3.4
85.02911	6.4
85.06545	3.6
91.05488	37.8
93.07049	14.4
95.04977	21.2
95.08614	24.8
97.06546	3.6
103.05450	4.0
104.02986	2.2
105.07029	38.6
107.04959	5.0
107.08595	47.6
109.02843	2.4
109.06532	37.5
109.10179	5.9
111.08061	3.1
115.05456	3.2
117.07027	4.0
118.04195	3.6
119.04968	15.8
119.08585	36.1
121.06535	13.1
121.10144	29.8
122.07304	5.3
123.04461	4.5
123.08071	35.8
123.11707	8.8
125.09648	4.2
128.06287	2.7
129.07033	6.7
131.08571	37.0
133.06509	12.9
133.10124	8.1
135.08006	2.9
135.11673	2.4
136.05197	4.1
137.05991	6.4
137.09622	8.2
143.00142	6.3
143.08533	4.1
145.10114	7.5
146.03596	3.6
147.04440	16.1
147.08066	17.8
147.11688	30.6
149.02374	11.8
149.05937	2.6
149.08421	2.7
149.09622	57.5
151.07553	100.0
156.09331	8.8
161.01224	16.6
161.06015	5.4
161.09654	3.9
161.13251	13.6
163.03949	3.5
163.11189	15.7
164.04712	18.9
165.09093	5.5
165.12779	20.2
171.11671	15.2
174.03085	3.0
175.03935	4.2
175.11633	6.1
179.02251	2.6
179.05707	2.7
179.07118	10.8
184.06425	3.4
189.05542	2.7
189.12743	38.9
192.04178	4.6
202.07426	2.3
207.06497	34.1
207.08199	3.8
207.10156	2.3
207.13837	61.3
227.05872	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03932	2.9
55.01865	2.9
55.05517	7.1
56.96566	7.8
57.03442	2.0
57.07065	6.2
59.05003	3.5
67.05514	9.4
69.03435	20.4
69.07056	6.2
71.04987	5.0
71.95262	2.0
79.05490	11.8
79.26344	1.3
81.07062	12.8
83.05009	6.9
83.08601	3.2
84.05313	2.4
85.02903	4.0
85.06548	5.1
86.09280	1.3
91.05487	32.1
91.89058	1.3
93.07056	12.4
95.04970	15.9
95.08613	18.4
97.06517	3.2
101.06039	1.5
103.05457	3.3
105.03374	1.6
105.06396	2.0
105.07050	30.9
107.04940	3.4
107.08601	42.1
109.06522	26.9
109.10180	4.4
111.08054	3.0
114.25862	1.3
116.06255	2.5
117.07040	3.0
119.04968	10.8
119.08585	28.9
121.06525	13.1
121.10150	17.4
121.73115	1.4
122.07316	5.0
123.04437	4.1
123.08081	33.5
123.11738	7.2
125.06017	3.2
125.09666	2.5
128.06270	1.9
129.07010	5.6
129.11058	3.9
131.08586	28.7
133.06485	10.2
133.10144	5.7
135.04391	1.9
135.08080	4.0
135.11659	1.7
136.05229	3.8
137.05992	4.3
137.09637	5.9
137.13231	3.2
143.00194	2.6
143.08557	4.0
145.10138	9.3
146.03613	4.2
146.10881	1.8
147.04436	10.3
147.08078	17.9
147.11696	20.7
149.02370	10.8
149.09636	54.4
151.07556	100.0
156.09377	9.2
159.08112	2.4
161.01204	3.5
161.06026	3.1
161.09679	3.6
161.13304	9.0
163.03932	2.9
163.11185	13.5
164.04675	7.9
164.11960	1.5
165.09128	4.1
165.12776	14.5
171.11687	11.4
174.03099	1.9
174.10379	1.9
175.03918	6.4
175.11626	7.1
179.07022	9.7
189.12753	33.3
192.04211	5.3
207.02789	1.5
207.06531	28.2
207.08356	2.7
207.09943	2.3
207.11876	3.0
207.13847	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21917	0.3
53.03949	0.5
55.01868	0.6
55.05516	3.0
56.05042	0.7
56.05856	0.6
56.96576	2.4
57.03431	0.5
57.07092	0.3
62.66890	0.3
65.03950	1.3
67.05505	1.8
68.05035	0.8
69.03442	2.1
69.07073	1.0
70.03249	1.3
70.06594	1.3
71.05001	0.8
71.95271	0.4
72.08162	3.9
73.02921	0.4
79.05502	1.8
80.05022	0.5
81.03424	1.0
81.06647	0.3
81.07057	1.9
82.06592	3.7
83.04980	2.3
83.08616	0.7
84.05332	0.9
84.08152	100.0
84.96046	0.4
85.02904	1.5
85.06563	0.3
85.08501	0.7
89.03932	0.6
91.05492	8.5
93.07050	1.9
94.06579	1.0
95.04989	1.5
95.08591	1.9
96.08145	4.3
97.02908	0.5
97.06554	0.6
98.09684	0.9
98.97594	0.8
99.04437	0.3
102.06344	0.4
102.09193	0.3
103.05466	0.9
103.09548	0.6
105.07053	2.9
105.90993	0.3
106.06591	0.4
107.04979	0.9
107.08603	2.3
108.08157	0.7
109.02913	0.4
109.06539	1.3
109.10184	0.8
110.09696	2.0
110.97563	0.7
111.04472	0.4
111.08073	0.4
112.11258	0.9
115.05501	0.6
116.98617	0.4
117.03444	0.3
117.07048	0.7
118.04163	0.8
119.04955	7.3
119.08591	3.8
120.08152	0.4
121.02864	0.8
121.06521	0.7
121.10154	1.2
123.04433	0.9
123.08076	1.8
123.11738	0.8
128.10738	0.4
128.98636	0.4
129.07005	0.5
129.11086	1.3
131.08565	0.9
132.02074	0.8
133.02859	0.5
133.06522	0.8
133.10147	1.0
134.09688	0.3
135.04454	0.6
135.08260	0.3
136.05209	0.4
136.11198	0.4
137.06007	0.5
137.09645	0.9
138.11644	0.6
138.12785	4.7
140.14418	0.3
143.08554	0.7
144.07289	0.3
145.02798	0.4
145.10187	0.4
147.04425	6.2
147.08014	2.1
147.11691	2.7
149.02359	1.4
149.05998	0.4
149.09662	1.4
149.10632	0.3
149.13194	0.3
150.12788	1.1
151.07538	1.0
156.09370	0.8
157.03979	0.6
159.08118	0.3
161.01253	0.7
161.06023	1.1
161.09636	1.2
161.13290	0.8
162.12808	0.8
163.03923	0.5
163.11215	0.6
164.04703	0.9
164.14380	1.8
165.09158	0.7
165.12740	0.9
168.41315	0.3
171.11690	0.3
175.03920	5.8
175.11626	3.0
177.05466	0.7
178.15916	0.7
179.03566	0.3
179.07013	1.7
185.03227	0.3
189.05460	0.6
189.09058	0.7
189.12752	2.0
192.04214	2.3
207.02820	0.6
207.06525	6.5
207.10094	1.2
207.13943	5.8
207.18584	22.1
208.09680	0.3
208.18892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.02208	1.6
53.03944	11.0
53.23100	1.4
55.01883	18.0
55.05522	12.6
57.03439	2.6
65.03941	14.2
66.33678	1.5
67.05514	7.7
69.03439	15.7
69.07079	2.9
70.78366	1.4
70.78667	2.4
71.04996	5.0
75.04485	12.0
77.03947	2.9
78.04729	15.8
78.94802	1.5
79.05504	14.8
81.03416	5.2
81.07073	8.7
83.04990	14.6
83.08617	7.8
85.02917	14.5
85.06558	1.7
89.03911	7.5
89.06049	3.3
91.05492	50.9
93.03419	34.9
93.07055	20.8
95.04984	27.8
95.08605	3.0
97.06545	14.6
99.04438	2.6
103.05492	21.3
105.03436	4.0
105.04519	5.4
105.07045	5.2
106.04192	88.0
107.04988	7.6
107.08611	12.3
108.05724	1.9
109.06532	12.5
109.10166	2.4
111.04446	4.3
111.08105	2.4
117.03391	6.4
117.07013	2.1
118.04199	1.5
119.04962	5.4
119.08602	2.4
120.05724	1.6
121.06525	86.9
121.10179	5.2
122.03705	1.8
123.04446	3.4
123.08089	5.6
123.11735	3.0
125.05997	25.9
125.09636	10.1
131.04956	4.6
131.08589	3.6
133.06523	2.2
133.10162	3.4
134.03636	12.1
135.04445	4.3
135.08090	4.2
137.06020	10.5
138.06781	5.4
139.07542	8.2
145.02885	6.9
145.10156	3.2
148.05188	9.8
148.39848	1.7
149.06001	100.0
149.09665	5.4
149.13264	3.8
151.07536	4.6
151.11197	5.3
152.08304	1.8
153.05499	8.6
153.09142	22.6
154.97272	1.7
163.07550	5.4
163.11191	1.7
165.12787	2.3
166.06248	4.5
167.06967	3.2
167.14355	6.4
173.13268	3.7
177.05493	45.1
181.04961	1.8
181.08620	21.5
191.07068	9.5
191.14336	15.2
201.89348	1.6
209.04517	4.3
209.08067	22.8
209.11803	5.3
209.15385	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03487	1.4
53.03952	7.9
55.01875	17.7
55.05514	8.9
57.03417	1.7
65.03948	14.7
67.05492	6.3
69.03434	7.6
69.07063	2.6
70.25700	3.3
71.04978	5.4
74.13689	1.4
75.04488	8.4
77.03936	4.2
78.04716	16.8
79.05504	9.7
81.03419	4.0
81.07050	7.5
83.04977	14.1
83.08612	4.6
85.02905	10.4
89.03912	6.4
89.06020	2.7
91.05486	51.7
93.03412	30.1
93.07060	18.1
95.04969	26.7
95.08617	2.2
97.02874	2.2
97.06551	14.2
103.05470	17.3
105.03391	3.2
105.04515	3.3
105.07026	5.2
106.04184	84.1
107.04968	7.2
107.08611	7.2
108.02120	1.7
108.05696	2.2
109.06518	11.5
109.10138	5.0
110.07297	1.8
111.04458	4.3
111.08078	4.1
117.03411	8.1
117.06953	2.0
119.04916	3.3
121.02836	1.5
121.06514	82.8
121.10150	6.6
122.07275	2.4
123.04427	4.2
123.08065	4.8
124.05172	3.2
125.06001	22.5
125.09627	6.0
131.04945	4.5
131.08601	3.9
133.02849	2.9
133.10077	2.0
134.03648	13.1
135.04376	2.3
135.07997	3.5
135.11668	3.2
137.06003	13.2
138.06750	4.4
139.07542	6.3
145.02849	7.2
145.10141	2.1
147.04451	3.2
147.11673	2.7
148.05232	10.4
149.05991	100.0
149.09615	7.3
149.13281	2.7
150.10513	1.5
151.03912	1.9
151.07529	5.8
151.11197	5.2
153.05470	7.1
153.09108	24.3
159.04309	1.5
163.07527	7.2
163.11182	1.6
166.06271	3.3
167.07001	3.1
167.14322	5.9
173.13287	3.9
176.04750	2.3
177.05479	41.0
181.08592	18.1
191.07042	6.4
191.14262	8.3
209.04472	3.6
209.08058	26.5
209.09901	2.1
209.11736	4.7
209.15379	13.7
214.25916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02374	1.2
53.03957	12.0
55.01880	49.4
55.05518	20.2
56.27164	1.2
56.96559	3.2
57.03431	5.1
57.07071	1.8
59.04992	2.0
65.03939	13.5
67.00581	1.2
67.05174	1.5
67.05512	20.2
68.99792	2.6
69.03439	7.6
69.07069	13.5
69.39512	9.4
71.04999	9.3
75.04474	8.9
76.26318	1.2
77.03918	2.7
78.04709	11.6
79.05051	2.0
79.05498	24.0
81.03422	7.8
81.07067	19.9
83.01353	1.9
83.04994	20.1
83.08620	9.7
85.02929	11.0
85.06522	2.4
89.03920	13.6
91.05489	65.1
93.03416	27.4
93.07052	42.2
94.06547	1.6
95.04367	1.8
95.04977	33.4
95.08617	19.6
97.02901	8.5
97.06546	17.6
97.10196	1.8
98.20724	2.3
98.97612	3.5
99.04439	4.2
99.08093	1.5
103.05480	33.2
105.03385	2.8
105.04527	3.9
105.07044	12.0
106.04187	77.1
107.04962	16.0
107.08599	29.9
108.05760	2.9
109.06528	17.5
109.10181	8.9
110.03617	2.2
110.07223	1.4
111.04448	12.6
111.08090	5.1
112.62575	1.2
115.05408	1.4
116.06187	1.5
117.03384	12.0
117.07035	6.2
118.04146	3.0
119.04958	8.1
119.08600	7.0
120.05717	2.9
121.06519	85.1
121.10158	26.2
122.06042	8.0
122.07338	2.7
123.04455	6.1
123.08056	6.8
123.11706	5.2
124.05239	1.4
125.05994	21.0
125.09633	4.9
129.07028	2.5
130.04129	2.3
131.04945	14.8
131.08592	7.3
133.02838	1.8
133.06506	3.4
133.10149	10.6
134.03668	14.3
135.04425	5.8
135.08084	12.4
135.11736	10.7
137.05992	10.8
138.03180	2.9
138.06763	3.7
139.07585	7.5
139.11137	3.0
145.02852	14.5
145.10144	9.1
147.04411	5.7
147.08060	1.6
147.11710	6.4
148.05211	13.2
149.06000	100.0
149.09599	9.6
149.13264	10.5
151.03905	4.7
151.07579	3.7
151.11188	22.2
153.05489	12.2
153.09113	20.7
158.10913	2.0
159.04353	3.2
162.03036	2.0
163.03912	5.9
163.07544	13.0
163.11177	12.0
163.14815	5.4
164.10771	8.5
165.05507	3.0
165.12726	6.5
166.06270	4.5
167.03453	1.7
167.07104	3.1
167.10661	1.6
167.14348	7.0
173.09618	2.3
173.13261	7.2
176.04724	5.2
177.05487	66.6
179.08633	1.5
180.07790	1.7
181.05086	2.0
181.08585	18.2
181.10002	1.8
191.07034	20.9
191.10706	4.6
191.14339	26.8
192.13841	21.7
193.04930	2.9
194.02042	1.6
194.05757	2.1
209.04485	4.2
209.08034	28.9
209.11485	10.6
209.15332	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02384	1.1
53.03950	7.9
55.01630	1.9
55.01877	31.2
55.05506	3.5
56.96566	1.6
57.03431	4.0
57.07095	1.1
61.02922	1.3
65.03945	11.1
65.55936	1.0
67.05518	6.5
69.03420	2.0
69.07088	2.5
70.84708	2.2
71.04996	1.9
74.71294	0.9
75.04494	8.8
77.03942	2.9
78.04708	11.7
79.05513	8.8
81.03417	2.8
81.07058	4.6
82.04218	1.6
83.04982	5.2
83.08639	3.5
85.02914	9.3
85.06512	1.1
89.03918	6.4
89.06040	1.9
91.05486	42.5
93.03416	24.8
93.07053	18.1
94.04232	1.3
95.04972	21.6
95.08620	3.0
96.05751	1.6
97.06539	9.8
102.04732	1.3
103.05479	21.0
105.03407	3.9
105.04523	4.2
105.07043	4.3
106.04182	79.2
107.05004	8.1
107.08614	5.4
108.02098	1.3
108.05756	1.6
109.06520	8.4
111.04429	2.2
111.08125	1.9
114.01240	1.1
117.03373	6.8
118.04201	1.8
119.04969	5.7
119.08562	1.8
120.05713	2.4
121.06515	74.9
121.10152	4.3
122.07301	2.0
123.04436	3.6
123.08110	1.9
123.11661	1.5
124.05196	1.7
125.05997	19.8
125.09573	1.3
131.04968	8.1
131.05907	1.7
131.08582	1.7
133.02896	1.3
133.10147	3.7
134.03662	11.7
135.04430	3.8
135.08061	3.1
137.05969	12.3
137.09622	2.7
138.03111	1.5
138.06764	2.6
139.07553	5.4
145.02858	7.2
145.10107	3.1
147.04359	2.3
148.05168	9.5
149.05992	100.0
149.09596	2.9
149.13213	1.1
151.03905	2.6
151.07568	3.9
151.11203	4.2
153.05548	7.3
153.06696	1.3
153.09117	16.7
163.03932	2.1
163.07552	7.0
163.11278	1.6
165.05504	2.1
165.12785	4.4
166.06285	3.6
167.07039	2.5
167.14398	1.9
170.32130	1.1
173.13306	1.3
176.04814	1.6
177.05492	47.6
181.04938	1.1
181.08591	17.8
181.10002	1.9
191.07066	8.0
191.14359	3.7
194.02097	1.4
194.05750	1.7
209.04486	3.7
209.08044	18.8
209.09630	1.4
209.11577	1.8
209.15268	6.3
209.72961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02392	0.6
53.03938	2.4
53.04176	0.5
55.01876	100.0
55.05519	4.4
56.96552	1.8
57.03433	1.1
57.07073	1.0
57.71333	0.6
65.03946	1.4
67.05499	1.5
68.85633	0.5
69.03413	2.2
69.07052	1.5
70.06594	0.7
71.05001	1.3
71.21944	0.9
78.04722	1.6
79.05504	4.1
80.83514	0.5
81.03418	1.6
81.07055	3.2
83.04987	5.9
83.08608	2.3
84.08110	0.8
85.02872	1.3
87.83678	0.5
89.03917	3.4
91.05488	9.5
93.03386	1.4
93.07048	7.3
95.04974	8.1
95.08601	1.0
97.06542	2.5
97.10185	0.7
97.45123	0.6
98.97579	1.7
99.04430	1.7
103.05478	13.0
105.03424	1.1
105.04495	0.9
105.07012	2.3
106.04179	5.1
107.04972	3.2
107.08608	3.9
108.94560	0.6
109.06522	6.4
109.10172	2.8
111.04429	1.1
111.08057	1.5
116.96823	0.6
117.03378	2.9
119.01772	0.8
119.04971	2.6
119.08575	0.7
121.06519	18.9
121.10145	2.9
121.61477	1.0
123.04436	0.7
123.08028	0.9
123.11674	1.2
125.05988	1.1
125.09606	1.8
131.04936	7.2
131.08595	1.4
133.02843	0.6
133.10110	1.3
134.03691	3.1
135.04454	2.6
135.08040	1.7
135.11723	0.6
138.03084	1.2
139.07561	1.1
145.02818	2.4
145.10085	1.1
147.04402	2.1
148.05205	4.1
149.04811	1.3
149.05991	26.3
149.09586	1.5
149.13300	0.9
151.03828	0.9
151.07521	1.0
151.11188	3.1
153.05516	3.7
153.09096	2.8
159.04376	4.3
159.05562	1.2
160.55260	0.5
163.03914	2.0
163.07484	1.0
163.11241	1.1
166.06209	1.6
166.66379	0.6
167.07051	1.8
167.14314	3.2
173.13263	1.3
176.04593	0.7
177.05481	39.9
181.04947	1.3
181.08575	3.5
191.07013	2.9
191.10649	1.1
191.14272	2.7
194.05748	1.5
194.07428	0.5
209.04396	1.3
209.08052	13.9
209.09850	0.8
209.11435	0.6
209.15361	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03951	9.4
53.89666	1.9
54.04069	2.0
55.01875	35.0
55.05513	36.5
56.96555	8.4
57.03436	3.6
57.07075	4.9
59.05015	2.9
65.03938	17.7
67.05503	14.7
69.03439	6.4
69.07076	10.3
69.37268	13.7
71.04992	6.3
71.20889	1.8
75.04472	11.2
77.03944	3.0
78.04705	13.2
78.55671	1.9
79.05499	18.7
81.03412	5.4
81.07065	18.8
83.04989	52.8
83.08621	14.6
83.40901	1.6
85.02911	9.2
85.06525	3.1
87.69807	1.7
89.03928	8.2
89.06004	2.6
91.05489	56.9
93.03414	28.9
93.07058	28.4
94.04215	2.1
95.04978	49.6
95.08591	10.9
97.06556	19.4
97.10194	4.1
98.20700	2.2
99.04448	7.2
99.08108	2.2
100.99172	2.4
103.05470	27.2
105.03397	4.4
105.04559	3.0
105.07041	11.8
106.04182	91.4
107.04973	7.3
107.08604	23.9
108.05714	2.8
109.06531	32.1
109.10164	17.8
111.04450	4.5
111.08086	8.4
113.09682	2.6
117.03391	8.9
117.07043	4.7
118.04146	3.1
119.00186	3.0
119.04953	7.9
119.08588	6.5
120.05750	3.3
121.06515	91.6
121.10146	15.1
122.07251	2.3
123.04435	4.9
123.08060	7.0
123.11730	6.1
124.05237	2.4
125.06001	23.3
125.09666	10.9
126.49843	1.8
127.07596	2.0
130.04173	2.0
131.04930	8.8
131.08582	9.1
133.10147	21.0
134.03658	13.7
135.04460	6.8
135.08052	6.8
135.11702	6.3
137.05974	13.9
137.09641	5.1
138.06778	5.9
139.07549	6.3
145.02866	11.4
145.10133	5.8
147.04424	5.0
147.11653	6.0
148.05182	10.7
149.02347	5.4
149.05991	100.0
149.09634	6.3
149.13257	10.2
151.03902	2.3
151.07605	2.5
151.11172	20.9
153.05493	8.3
153.09096	29.3
159.04401	3.5
163.03992	3.3
163.07552	9.0
163.11220	2.5
163.14885	3.9
165.05525	1.9
166.06302	4.5
167.07065	2.5
167.14336	26.6
173.13261	12.2
177.01569	1.7
177.05475	55.9
181.04962	3.3
181.08615	22.7
191.07060	11.3
191.08585	2.2
191.10727	2.0
191.14355	21.6
193.04994	6.0
209.04468	7.2
209.08032	32.2
209.09586	2.8
209.11742	3.7
209.15335	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	209.0811
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02385	2.7
53.03950	8.8
55.01875	19.9
55.05513	38.4
56.96560	5.6
57.03436	3.3
57.07067	3.3
59.05006	2.8
61.50830	1.2
65.03941	15.0
67.05504	14.2
68.99785	2.0
69.03443	8.4
69.07070	8.9
69.42339	3.5
69.42747	6.1
71.05003	9.0
75.04488	8.1
77.03922	3.1
77.25335	1.3
78.04709	13.7
79.05492	18.1
80.66038	1.2
81.03404	4.7
81.07054	15.8
82.04233	1.6
83.04481	2.2
83.04982	45.7
83.08624	14.2
85.02904	11.0
85.06538	3.9
89.03922	7.2
89.06017	3.4
91.05487	50.6
93.03410	27.7
93.07050	30.6
95.04971	42.7
95.08611	10.9
97.06539	18.2
97.10172	2.6
98.97601	6.6
99.04456	5.8
103.05463	22.7
105.03388	3.1
105.04524	4.6
105.07009	9.7
106.04181	77.7
107.04948	5.0
107.08597	20.9
108.02111	1.6
108.05730	2.6
109.06529	32.5
109.10157	17.4
111.04454	4.9
111.08081	7.9
116.98611	1.7
117.03408	6.4
118.04184	2.3
119.00199	2.3
119.04945	4.1
119.08599	4.2
121.06518	76.1
121.10154	14.5
122.03603	1.8
122.06026	4.8
122.07294	1.9
123.04430	4.4
123.08083	10.7
123.11735	7.5
124.05215	1.9
125.06010	21.8
125.09637	8.7
131.04951	8.5
131.05811	1.5
131.08580	9.1
133.06453	1.7
133.10129	13.2
134.03638	13.7
135.04433	6.6
135.08035	10.0
135.11702	4.2
136.04768	5.3
137.05946	11.2
137.09625	4.0
138.06775	3.4
139.07550	7.8
139.11089	1.6
145.02847	6.5
145.10124	4.9
147.04379	1.7
147.08044	1.8
147.11681	9.8
148.05193	7.6
149.02365	2.0
149.05988	100.0
149.09618	9.8
149.13261	11.6
151.03986	1.7
151.07529	3.7
151.11186	18.6
153.05490	7.0
153.09120	28.2
158.99738	2.7
159.04398	2.6
163.07524	7.1
163.11160	3.8
163.14790	3.4
164.10709	5.8
165.05464	2.3
166.06239	3.4
167.07016	1.9
167.14337	29.7
173.13292	10.7
177.00720	1.6
177.05473	42.0
180.07922	1.3
181.05045	3.2
181.08595	18.0
181.10036	2.5
191.07066	5.6
191.10661	2.6
191.14310	30.6
192.13812	13.5
193.04935	2.3
194.05695	2.6
209.04417	2.9
209.08041	20.8
209.11723	4.9
209.13637	3.6
209.15364	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02376	1.9
53.03938	7.6
55.01877	15.5
55.05516	48.5
57.03431	4.5
57.07078	3.6
59.05006	2.8
61.57456	2.1
65.03923	4.0
67.05511	23.5
68.82194	1.8
69.03408	5.9
69.07068	15.0
69.92989	8.9
71.04999	19.8
78.04687	2.0
79.05493	50.0
81.03435	2.1
81.07060	21.3
83.04986	67.6
83.08626	22.6
85.06525	7.7
91.05484	34.9
93.03372	3.8
93.06471	2.9
93.07047	43.1
95.04972	29.5
95.08619	9.1
97.06548	14.1
97.10174	3.0
98.21499	3.2
99.04456	5.7
99.08120	2.0
100.56129	1.7
103.05458	5.5
105.06379	2.7
105.07043	28.5
106.04148	5.1
107.04955	31.1
107.08600	52.6
109.02863	2.0
109.06528	28.9
109.10172	17.0
111.04433	6.6
111.08059	5.9
113.05964	2.5
115.05442	2.4
117.07018	10.8
119.04970	1.7
119.08590	14.1
121.06506	37.6
121.10149	34.1
123.04440	5.1
123.08055	3.6
123.11728	9.1
125.06005	13.2
125.09615	9.6
129.06978	6.2
130.07751	3.7
131.04921	2.2
131.08572	82.7
133.10136	10.7
134.03656	2.1
134.13901	2.0
135.04390	1.9
135.08038	8.2
135.11699	9.2
137.05971	3.9
137.09509	2.7
139.07506	3.1
143.08443	1.8
145.02795	2.4
145.06522	1.6
145.10127	43.0
147.04436	3.8
147.08069	8.5
147.11685	2.5
148.05081	2.0
149.06001	17.8
149.09631	100.0
149.13242	6.9
151.07553	2.5
151.11200	27.7
153.05447	8.8
153.09123	7.0
158.11011	1.8
163.07552	8.9
163.11179	35.7
163.14830	2.0
163.18304	1.7
165.09117	16.4
167.07048	5.3
167.10667	12.5
167.12994	3.4
167.14326	43.8
173.09628	11.6
173.13235	5.4
177.05444	11.7
181.05005	1.7
181.08498	2.2
191.10678	56.2
191.14279	8.1
192.13817	3.9
193.51436	1.7
209.08080	6.4
209.09727	3.4
209.11729	69.1
209.15271	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03955	5.5
55.01630	1.5
55.01878	23.8
55.05267	1.2
55.05516	21.1
56.96569	9.9
57.03452	4.6
57.07067	3.2
59.05000	1.5
60.91751	0.9
65.03949	6.6
67.05167	1.5
67.05510	25.0
68.99794	1.2
69.03432	10.6
69.06723	1.4
69.07074	15.9
69.57707	7.2
70.06596	1.2
70.92783	0.9
71.04592	1.3
71.05000	23.8
75.04446	1.4
77.03918	1.6
77.12165	0.9
78.04700	2.2
79.05501	51.0
81.03441	6.8
81.07066	20.3
82.04193	1.2
82.86706	1.0
83.04991	24.3
83.08621	8.9
84.08167	1.5
85.02910	6.6
85.06571	6.0
86.03245	1.7
86.09728	1.4
87.03336	2.2
89.03908	2.6
91.05489	39.0
92.05797	1.4
93.03427	5.4
93.07053	46.4
94.06545	2.7
95.04979	31.2
95.08616	8.7
97.02876	3.0
97.06551	14.1
97.10162	1.6
98.97601	9.3
99.04490	5.9
99.08095	1.2
101.02374	1.0
101.07263	0.9
103.05481	10.7
105.03399	2.6
105.04520	2.1
105.07038	28.8
106.04182	13.2
107.04964	31.4
107.08606	52.5
108.05767	3.5
109.02879	3.5
109.06531	22.3
109.10168	8.6
110.03651	1.3
110.07216	2.5
111.04459	8.1
111.08085	6.0
112.99197	1.2
113.06021	1.3
113.09668	1.6
115.05450	3.4
116.06216	1.1
116.98632	3.3
117.03383	2.6
117.07035	10.1
119.04917	3.2
119.08600	17.4
120.08112	2.5
121.06520	38.7
121.09310	2.0
121.10159	34.1
121.61561	1.3
123.04423	4.1
123.08064	5.8
123.11709	4.6
124.05230	7.2
124.12022	1.1
125.06020	14.6
125.09643	9.2
125.12351	1.9
127.03938	1.5
128.95245	1.1
129.07060	6.9
130.07785	3.0
131.00114	1.9
131.04942	6.3
131.08583	79.4
132.08969	1.1
133.02814	1.4
133.06468	2.7
133.10164	7.4
134.03600	4.7
135.04427	4.3
135.08090	9.5
135.11714	8.5
136.07591	1.4
137.05983	5.7
137.09631	1.4
139.03880	1.1
139.07556	33.2
141.05464	1.6
143.08534	1.3
145.02802	4.7
145.06508	4.8
145.10138	40.8
147.04372	2.4
147.08089	7.8
147.11736	5.2
148.05183	2.3
149.02341	1.9
149.06006	28.4
149.09633	100.0
149.13263	4.2
151.03899	1.8
151.07486	2.3
151.11215	10.5
153.05487	11.5
153.06671	1.6
153.09145	8.7
155.08557	1.7
158.99683	3.1
159.04449	1.3
163.07570	10.3
163.11201	40.8
163.14780	3.0
165.09128	14.7
165.12697	1.6
166.06282	1.4
167.07063	31.8
167.10680	10.5
167.14323	11.3
168.24101	1.0
171.06531	1.3
173.01237	2.0
173.09605	8.2
173.13254	4.3
176.04799	1.7
177.00612	1.4
177.05530	23.5
181.04982	19.7
181.06512	2.3
181.08577	4.2
185.02942	1.1
191.02083	1.3
191.07048	6.4
191.10690	51.3
191.14317	12.4
194.02124	2.1
209.02644	2.0
209.04379	9.1
209.06198	1.8
209.08083	16.1
209.09969	2.7
209.11736	63.6
209.15323	18.1
210.11246	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03939	3.8
55.01873	14.8
55.05512	45.7
56.96568	1.7
57.03431	2.4
57.07060	2.9
58.05203	1.4
59.04982	2.6
60.02954	1.8
65.03937	2.2
67.05505	21.7
69.03419	7.3
69.07072	13.6
69.77187	6.4
70.35262	1.7
71.04994	21.3
77.03902	1.7
79.05492	50.3
81.07062	22.9
83.04480	3.2
83.04984	61.0
83.08609	16.8
85.02913	1.9
85.06539	5.6
89.03927	1.7
91.05482	33.3
93.03421	3.0
93.07046	50.0
95.04974	32.1
95.08599	7.3
97.06528	12.4
97.10183	4.3
99.04453	4.1
99.08080	2.3
103.05463	7.3
105.04546	1.9
105.07024	24.4
105.77340	1.9
106.04192	9.2
107.04955	32.4
107.08597	58.0
109.02869	2.2
109.06531	22.9
109.10173	14.0
111.04447	7.6
111.08070	5.5
116.06203	1.8
117.03407	1.7
117.07036	10.8
119.08600	16.5
121.06509	42.0
121.10147	37.5
123.04428	6.5
123.08065	6.6
123.11679	6.7
125.06006	12.1
125.09631	8.7
129.07019	7.5
130.07771	3.9
131.04898	3.7
131.08571	81.4
133.10146	9.4
135.04388	3.0
135.08064	9.2
135.11685	6.6
137.09657	3.7
139.07527	4.3
145.02841	2.7
145.06436	3.1
145.10117	42.1
147.04431	1.9
147.08028	11.9
147.11649	4.6
149.05998	16.9
149.09624	100.0
149.13258	5.7
151.07570	2.4
151.11162	17.6
153.05455	7.1
153.09151	8.1
163.07550	7.2
163.11185	26.9
165.09113	14.9
165.12698	3.2
167.07028	3.4
167.10645	10.9
167.14326	34.6
173.09631	9.9
173.13268	3.7
177.05473	11.7
181.08612	3.0
191.10686	57.2
191.14331	6.9
192.13806	5.1
209.04366	3.3
209.08101	6.8
209.11732	72.4
209.15271	17.7
212.88023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.73866	1.1
53.03939	3.6
53.07650	0.9
55.01876	10.7
55.05516	13.6
56.96547	2.9
57.03420	3.5
57.07080	7.3
59.05000	1.8
63.09903	1.1
65.03944	6.2
67.05180	1.5
67.05509	17.4
69.03434	100.0
69.07076	10.2
69.58035	6.8
71.05000	10.7
75.04457	1.4
77.03909	2.1
78.04715	1.3
79.05494	28.8
81.03412	1.9
81.06649	1.5
81.07066	19.2
82.04189	1.4
82.94627	1.0
83.04984	28.1
83.08619	14.2
85.02888	2.6
85.06541	9.3
87.55245	1.1
89.03854	1.4
91.05482	23.8
93.03398	2.7
93.07047	24.5
95.04977	16.8
95.08611	13.1
96.05743	1.1
97.06531	8.9
97.10168	2.0
98.97572	2.3
99.04444	3.0
99.08114	1.3
103.05459	6.3
105.03392	1.1
105.07035	19.4
106.04197	6.2
107.04965	13.5
107.08603	66.9
108.05734	1.5
109.06527	20.2
109.10162	7.8
110.03716	1.7
111.04424	4.0
111.08093	9.1
117.03342	1.1
117.07000	4.8
119.04928	1.9
119.08578	12.9
121.06509	19.9
121.10154	25.0
123.04431	2.1
123.08089	7.8
123.11710	9.1
124.05206	3.1
125.05985	6.0
125.09639	63.6
129.06990	3.4
130.07787	1.6
131.04904	3.4
131.08575	38.0
133.10129	9.4
134.03659	1.5
135.04401	1.4
135.08063	15.4
135.11700	8.7
136.08800	1.3
136.71924	1.1
137.05952	1.7
137.09615	2.4
139.07536	18.0
143.08588	2.7
145.10130	26.4
147.08029	4.0
147.11723	6.8
148.05188	1.8
149.06004	11.6
149.09630	51.3
149.13269	10.8
151.11195	9.4
153.05464	4.0
153.09117	12.8
158.10927	3.3
161.09529	1.4
163.07578	4.0
163.11203	20.2
163.14804	4.9
165.09105	7.1
165.12766	10.5
167.07059	16.2
167.10677	6.4
167.14330	16.1
173.09610	3.4
173.13277	18.8
176.11948	1.8
177.05475	8.0
179.07056	1.7
181.04976	18.1
181.08519	1.6
191.07153	1.3
191.10703	24.1
191.14311	78.0
209.04478	2.9
209.08055	7.4
209.11792	29.2
209.15367	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.86897	1.5
51.32972	1.5
52.91588	1.5
53.03940	2.9
55.01861	4.1
55.05268	2.2
55.05515	29.0
57.03415	2.1
57.07065	4.4
59.04978	2.6
67.05506	11.8
69.03428	2.8
69.07062	7.8
69.34475	15.1
71.04973	6.7
79.05498	13.6
81.07063	20.1
83.04984	63.3
83.08618	14.3
85.06557	2.2
91.05486	8.4
93.07037	14.9
95.04977	32.9
95.08595	10.4
97.06554	9.1
99.04465	6.6
105.07038	13.1
107.04977	1.9
107.08589	25.6
109.06524	100.0
109.10162	17.7
111.08097	8.6
117.06977	3.0
119.08583	4.4
121.06496	6.0
121.10149	20.8
123.08084	11.5
123.11708	4.4
125.09611	4.6
131.08595	13.8
133.10155	14.8
135.08070	18.5
135.11659	1.8
145.10103	7.5
147.11676	2.0
149.09598	9.5
149.13240	9.3
151.11172	14.6
153.09100	18.8
161.09766	1.9
163.11191	4.2
163.14781	2.4
167.14319	24.6
173.13315	8.1
176.11868	1.7
177.05513	3.8
191.10660	4.9
191.14314	19.6
209.11743	6.9
209.15353	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	4.9
55.01867	7.6
55.05513	30.1
57.03439	3.2
57.07064	4.8
59.04990	3.7
65.03925	6.2
67.05508	12.3
69.03417	5.2
69.07072	8.4
71.04983	6.3
71.13561	2.9
73.54889	1.4
75.04472	3.6
78.04699	4.6
79.05499	12.4
81.07056	26.5
83.04482	2.9
83.04982	51.1
83.08623	17.5
85.02897	4.0
85.06539	4.0
89.03925	2.5
91.05480	22.3
93.03404	9.0
93.07050	17.9
95.04971	55.5
95.08624	12.1
97.06528	15.1
97.10157	3.5
99.04459	9.7
100.11262	3.7
103.05486	7.1
105.07021	10.6
106.04176	26.6
107.04957	1.9
107.08599	21.2
109.06521	100.0
109.10143	16.1
110.38654	1.6
111.08073	4.9
113.09629	2.5
116.96696	1.7
117.03361	2.3
117.07081	2.1
119.04910	2.3
119.08553	3.5
120.95762	1.6
121.06502	30.0
121.10143	19.0
123.08082	10.4
123.11701	6.1
125.06039	7.3
125.09686	9.3
131.04909	2.8
131.08569	8.1
133.10118	27.1
134.03621	5.6
135.08054	15.9
135.11690	3.7
137.05962	4.5
138.06792	2.0
139.07524	5.5
143.08508	2.3
145.02803	2.8
145.10129	3.2
147.11658	2.1
148.05255	1.9
149.05988	36.2
149.09613	3.8
149.12231	1.9
149.13251	8.6
151.11215	11.0
153.05490	1.8
153.09108	27.3
157.48764	1.5
158.10912	2.4
163.07523	2.3
163.14838	5.4
165.12740	1.6
167.14316	25.7
173.13231	15.5
177.05475	11.7
181.08606	5.8
191.14325	20.1
209.08057	5.8
209.15358	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.61434	0.6
53.03962	0.8
55.01880	3.5
55.05513	1.5
57.07084	3.8
59.04980	0.7
65.03950	1.2
67.05514	3.8
69.03432	1.2
69.07060	2.6
70.99924	1.4
71.05002	3.0
71.66946	0.5
78.65671	0.6
79.05480	4.1
81.03438	0.6
81.07065	7.8
83.04988	3.2
83.08640	1.4
85.02906	0.7
85.06541	0.7
86.18452	0.5
89.03934	0.7
91.05475	4.4
91.88242	0.5
93.03427	0.9
93.07040	4.4
95.04986	3.5
95.08624	6.7
97.06532	1.9
99.04474	0.8
99.08100	0.8
101.82502	0.6
103.05484	1.5
105.07030	3.5
106.04190	2.0
107.08600	7.4
109.06529	100.0
109.10167	6.8
111.08072	0.9
115.04107	0.6
117.07018	1.2
119.08571	1.3
121.06528	4.0
121.10142	4.3
123.08064	9.6
125.05999	1.1
125.09626	1.6
131.04941	1.0
131.08588	4.1
133.10118	2.4
135.08064	20.5
135.09116	1.3
135.11726	0.8
139.11211	1.2
143.08636	0.6
145.10156	1.6
147.07999	1.1
147.11705	1.8
148.08896	0.6
149.06018	2.6
149.09634	4.3
149.13272	2.3
150.10440	1.9
151.11192	9.1
153.09137	3.8
158.10924	1.1
160.15257	0.6
161.09592	0.6
163.07562	0.7
163.11264	0.8
163.14816	1.0
165.12741	1.4
167.14314	0.7
173.13297	6.0
177.05501	2.4
181.08577	1.0
181.82086	0.6
191.07048	1.3
191.08647	0.7
191.14322	22.3
194.07449	0.8
209.04434	1.0
209.08000	1.5
209.09645	2.7
209.11626	1.2
209.15363	9.6
222.36911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.15566	1.7
51.54408	1.5
53.03952	4.0
55.01886	12.1
55.05517	13.6
56.96561	3.3
57.07072	4.7
59.05013	2.6
65.03945	1.9
67.05514	16.5
69.03440	13.8
69.07075	15.9
70.82830	4.7
71.05001	11.2
78.04685	2.3
79.05509	18.6
81.03408	3.3
81.07068	22.3
83.04994	17.5
83.08642	8.0
85.02945	2.5
85.06544	2.7
89.03909	2.6
91.05508	16.8
93.03413	6.9
93.07058	26.5
95.04965	16.6
95.08624	28.2
97.06556	10.3
99.08083	5.3
103.05468	7.3
105.07040	16.0
106.04195	16.0
107.04974	5.7
107.08609	50.1
109.06538	58.5
109.10169	19.1
111.04485	2.9
111.08088	5.8
117.03387	2.7
117.07030	5.3
119.08592	10.1
121.06522	25.5
121.10152	39.6
122.07225	2.8
123.08090	9.5
123.11706	5.5
125.05978	5.3
125.09621	11.8
131.04965	3.6
131.08559	9.0
133.10156	31.1
134.03612	4.2
135.08066	27.3
135.11711	9.8
137.06000	3.3
137.09639	17.4
139.07669	1.7
139.11227	4.8
145.02835	3.0
145.10132	7.3
147.11734	10.3
148.05150	2.8
149.06012	23.3
149.09613	15.1
149.13292	21.8
151.11208	100.0
152.01073	2.4
153.09137	9.3
158.10945	3.4
163.11217	6.2
163.14833	8.8
165.12810	9.8
167.10722	1.6
167.14351	2.5
169.97639	1.8
173.13289	18.5
177.05495	14.5
181.08546	3.5
191.07127	4.1
191.10652	2.9
191.12679	3.0
191.14342	51.5
209.04480	16.7
209.07930	9.8
209.11501	2.3
209.13472	3.4
209.15350	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.32224	2.0
51.02396	2.5
51.86769	1.9
52.43697	2.0
53.03948	11.8
55.01637	2.9
55.01874	19.5
55.05518	54.1
56.96571	3.3
57.03449	7.5
57.07078	8.8
57.09391	2.2
59.04999	4.3
61.08735	2.0
65.03950	17.1
65.82610	2.3
67.05512	19.1
69.03438	9.0
69.07072	15.0
69.45469	10.0
69.45890	6.1
69.89784	2.8
71.04997	8.3
72.83372	2.0
75.04501	10.4
77.03951	2.2
78.04723	14.6
79.05508	22.9
81.03407	6.0
81.07069	32.4
83.04993	88.3
83.08627	28.9
85.02908	10.8
85.06548	5.8
88.86358	1.9
89.03925	7.5
91.05494	66.5
93.03426	33.5
93.07060	36.7
93.33669	2.3
93.90269	2.0
95.04984	65.1
95.08627	12.6
96.05766	2.9
97.06551	24.5
97.10188	5.0
98.97598	3.2
99.04453	14.1
99.52424	2.6
103.05495	22.7
105.03395	3.0
105.04545	5.5
105.07052	15.1
106.04191	93.3
107.04987	11.4
107.08616	39.4
108.05790	2.4
109.06533	77.2
109.10174	24.7
111.04453	5.4
111.08102	10.0
117.03416	6.6
117.07036	4.8
119.00201	2.9
119.04961	5.4
119.08600	8.8
121.00484	2.4
121.06522	97.8
121.10149	28.0
122.06065	4.5
123.04472	3.6
123.08086	17.9
123.11705	10.6
125.06021	27.6
125.09658	15.0
125.10420	2.5
131.04970	10.4
131.08595	14.1
131.34735	2.2
133.10146	24.6
134.03632	13.0
135.04424	4.1
135.08081	21.8
135.11720	10.0
136.04790	5.4
137.05972	13.6
137.09647	2.8
138.06779	4.9
139.07582	8.2
139.11311	2.3
145.02885	8.1
145.10161	9.3
147.04401	3.1
147.08080	2.8
147.11699	12.5
148.05190	10.5
149.02483	2.9
149.05998	100.0
149.09604	11.3
149.13290	14.9
151.07578	2.8
151.11203	24.8
153.05511	9.4
153.09106	36.3
159.04401	2.6
163.03960	4.2
163.07523	3.9
163.11183	5.4
163.14862	4.0
164.10710	4.2
166.06224	3.8
167.14337	52.7
173.13298	14.7
173.25661	2.4
177.05484	40.9
181.08611	23.3
191.07043	9.8
191.10713	3.7
191.14323	36.0
192.13841	12.5
209.04478	5.4
209.08043	23.7
209.09686	3.1
209.11865	2.7
209.13599	4.8
209.15384	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03940	2.9
55.01875	4.6
55.05517	77.4
57.03425	3.5
57.07066	2.9
59.05008	5.0
67.05520	11.4
69.03438	8.7
69.07072	8.4
69.36215	13.7
71.04993	6.0
79.05497	10.1
81.03399	1.5
81.07072	25.4
81.07534	2.9
81.77180	1.7
83.04990	100.0
83.08147	2.3
83.08629	41.4
85.02945	1.7
85.06535	4.5
91.05495	7.1
93.03398	2.1
93.07043	13.5
95.04977	45.1
95.08601	11.0
97.06527	16.2
97.10184	6.4
99.04477	10.2
99.08102	2.2
100.85058	1.5
105.07040	11.3
106.04168	4.0
107.08606	26.6
109.06529	52.5
109.10168	30.7
111.08108	14.4
112.75386	1.7
113.09637	2.7
119.08604	2.5
121.06499	3.6
121.10149	18.8
123.08091	4.8
123.11700	13.6
125.05977	2.6
125.09662	13.6
131.08586	7.3
133.10152	23.9
135.08104	7.8
135.11681	2.3
136.08791	1.8
145.10095	3.0
147.11688	2.2
149.05983	5.2
149.09630	2.0
149.13287	11.6
151.11205	38.7
153.09125	24.4
158.11026	1.7
167.14334	73.0
173.13306	10.8
177.05478	2.9
191.14310	10.9
209.15390	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	6.2
55.01887	11.2
55.02103	2.1
55.05514	84.4
56.96557	3.9
57.03438	3.7
57.07071	3.5
59.05000	3.4
65.03955	2.5
67.05510	10.6
69.03448	10.2
69.07066	7.6
69.57838	11.2
71.05003	8.8
71.08622	2.1
78.04710	2.5
78.09303	2.0
79.05502	8.9
81.03417	2.4
81.07061	17.7
83.04986	100.0
83.08620	46.1
85.06544	5.6
89.03909	3.2
91.05497	12.5
93.03408	6.2
93.07062	16.7
95.04981	38.1
95.08604	11.2
97.06524	11.0
97.10174	8.2
98.20729	2.7
98.97587	16.9
99.04458	6.6
99.08037	1.9
103.05473	4.5
105.07018	8.7
106.04177	14.6
107.04945	2.7
107.08604	30.6
109.06526	21.4
109.10150	25.7
111.04475	1.9
111.08089	14.4
112.99108	3.9
113.09615	2.4
116.98632	4.6
119.08569	4.3
120.05652	2.2
121.06509	18.1
121.10159	19.0
123.08108	4.0
123.11693	12.8
125.05981	2.4
125.09621	15.8
131.00145	4.0
131.04892	2.4
131.08578	3.3
133.10133	15.1
134.03700	2.9
135.08034	4.0
135.11650	3.5
137.06017	4.2
139.07524	2.5
145.02832	2.5
145.10139	3.7
147.04399	3.7
148.05128	1.9
149.05980	22.3
149.09627	4.6
149.13264	13.4
151.11188	44.1
153.09114	11.9
158.99709	3.4
159.85065	2.1
163.07626	1.8
167.14326	75.6
170.18909	2.0
173.13258	6.4
177.05489	10.7
181.08650	3.8
181.32153	1.9
191.02293	3.3
191.07021	2.7
191.14259	12.1
201.00679	2.3
202.98647	2.8
209.08063	5.3
209.11497	3.0
209.15344	33.4
219.01906	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
52.93902	1.0
53.03957	7.6
55.01662	1.0
55.01878	12.0
55.05521	11.1
56.96556	1.8
57.03423	1.1
57.07077	2.3
59.05003	2.2
65.03933	3.0
67.05512	12.6
69.03130	1.4
69.03440	14.1
69.07072	7.7
69.46900	8.2
71.04978	3.2
75.04474	2.2
77.03941	1.1
78.04713	2.5
79.05128	1.2
79.05503	14.1
81.03432	13.7
81.07069	19.3
81.16003	1.1
81.93642	1.2
83.04994	12.0
83.08611	4.8
85.02898	2.3
85.06551	1.7
89.03941	2.7
91.04961	1.7
91.05489	19.9
93.03416	7.4
93.07054	19.8
95.04981	19.9
95.08049	1.5
95.08614	17.4
97.02908	1.8
97.06520	5.1
99.04448	2.1
99.08065	1.9
103.05494	7.7
105.07045	9.6
106.04176	19.8
107.04932	5.1
107.08607	22.6
109.06534	17.0
109.10155	6.1
111.04449	1.7
111.08047	2.0
117.03381	2.0
117.07008	4.8
119.04943	2.7
119.06156	1.1
119.08580	8.3
121.06516	21.9
121.10149	19.1
123.04478	1.3
123.08087	14.4
123.11723	8.8
125.06005	6.6
125.09585	4.0
131.04988	5.8
131.08548	2.8
133.10110	3.9
134.03642	6.0
135.04375	1.1
135.08070	3.5
135.11688	5.0
137.05983	3.1
137.09637	5.3
137.13289	2.3
139.07545	3.2
145.02771	2.2
145.06493	1.3
145.10109	5.6
147.11763	5.2
148.05191	2.6
149.06010	25.3
149.09608	15.5
149.13272	7.9
151.07549	1.3
151.11195	8.1
153.05533	2.7
153.09113	5.6
163.07544	2.3
163.11185	4.6
163.14825	2.3
165.12776	100.0
166.06215	2.1
167.10556	1.3
167.14278	4.1
173.09612	1.6
173.13280	3.4
177.05482	16.1
181.06339	1.1
181.08629	3.8
191.07076	3.0
191.10660	3.2
191.14325	8.1
209.04500	1.8
209.08049	10.7
209.09877	2.1
209.11748	5.2
209.15376	44.9
209.17380	2.2
220.23479	1.1
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
53.03949	10.1
55.01633	1.8
55.01877	34.4
55.05520	12.5
57.03431	4.1
58.81947	1.6
59.04985	2.4
65.03934	11.6
67.05514	11.0
69.03422	7.4
69.07066	10.1
70.79366	4.3
71.04979	6.9
72.01767	1.5
75.04483	11.8
77.03920	1.9
78.04728	12.3
79.05490	17.3
81.03393	5.0
81.07059	17.6
82.04192	1.8
83.04987	12.7
83.08612	6.1
85.02905	9.7
85.06540	2.2
89.03909	7.3
91.05486	57.2
93.03407	28.5
93.07050	26.5
94.06516	1.6
95.04975	36.1
95.08617	13.2
97.06548	16.1
99.04443	3.7
103.05466	30.1
105.03381	4.6
105.04508	5.3
105.07036	11.4
106.04181	80.1
107.05000	10.0
107.08604	27.1
108.05721	3.0
109.06526	25.4
109.10171	11.8
110.03633	2.0
110.07285	2.0
111.04447	4.7
111.08076	6.7
115.05408	3.1
117.03379	6.5
117.06988	4.5
119.04935	6.2
119.08569	7.1
120.05752	2.9
121.06512	83.7
121.10143	13.3
122.07285	6.8
123.04435	6.9
123.08062	6.2
123.11720	8.9
124.05222	2.4
125.06010	20.9
125.09630	5.0
131.04964	8.3
131.08577	5.9
133.02835	3.6
133.06482	2.3
133.10135	42.3
134.03664	13.4
135.04420	4.4
135.08060	22.4
135.11693	9.0
137.05971	10.2
137.09622	33.8
138.06731	5.1
139.07552	9.3
139.11166	1.8
145.02829	10.9
145.10130	5.9
147.04434	3.4
147.11710	4.4
148.05190	9.5
149.05989	100.0
149.09631	11.2
149.13261	11.1
150.79138	1.5
151.03909	4.5
151.07559	4.2
151.11200	8.8
153.05463	9.1
153.09087	20.6
158.10941	3.1
159.04391	2.6
163.03918	2.7
163.07558	6.9
163.11168	3.4
163.14807	4.6
165.05463	2.9
165.12758	13.6
166.06219	4.8
167.07077	2.0
167.14326	7.2
173.13252	11.0
176.04701	2.9
177.05496	47.3
181.08597	19.1
181.10002	2.4
191.07060	10.3
191.10724	2.6
191.14334	16.5
209.04514	8.2
209.07977	25.5
209.09608	3.5
209.11621	3.9
209.13417	2.9
209.15327	23.2
215.96550	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	42.3
68.76602	34.3
69.87159	35.3
71.53850	41.8
94.93031	46.1
98.97560	100.0
110.97570	43.7
112.89626	98.5
113.89818	41.4
119.01755	41.7
128.98599	45.7
154.60086	37.4
169.14734	34.0
177.77693	38.8
201.78894	41.3
210.84554	35.9
210.94078	71.4
213.32651	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.29488	1.2
53.03951	6.1
55.01887	7.0
55.05517	39.4
56.96572	6.0
57.03437	9.6
65.03942	1.6
67.05512	27.7
69.03435	9.9
69.07077	10.4
69.17202	12.0
71.01360	1.9
71.04998	7.0
73.02934	2.7
79.05499	31.9
81.03425	100.0
81.07065	36.6
83.04990	47.0
83.08630	30.5
84.96044	1.5
85.02921	4.1
85.06548	3.8
91.05492	35.2
93.07050	16.4
95.04980	34.1
95.08611	14.2
96.12446	1.2
97.02892	4.5
97.06542	5.7
97.10182	7.5
98.21577	2.1
98.97592	3.7
99.04504	1.8
99.08093	2.2
103.05486	1.5
105.04591	1.2
105.06374	2.4
105.07040	24.5
107.04993	7.8
107.08602	8.4
109.06537	7.3
109.10166	2.7
110.97587	2.1
111.04460	4.0
111.08080	10.7
115.05526	1.9
116.98586	1.6
117.07020	1.8
119.08591	19.8
119.84683	1.1
121.06513	3.1
121.10153	8.0
123.04416	2.2
123.08064	5.4
125.09654	2.9
128.98625	2.8
129.06999	10.9
131.08586	10.8
133.06506	3.0
133.10150	10.6
137.05870	1.6
137.09560	2.5
142.07784	5.0
145.10193	1.4
147.04393	1.2
147.08055	4.5
147.11707	16.6
149.09610	6.8
153.07016	1.4
155.08551	2.0
157.10136	16.5
158.99629	1.8
165.07109	2.0
165.12836	2.5
166.17854	1.1
167.07062	5.0
168.05594	1.2
170.99579	1.7
175.11203	15.3
181.06468	1.7
181.10158	1.2
183.08119	7.8
189.00722	1.4
193.10426	2.5
193.12247	33.6
211.07611	7.1
211.11342	5.5
211.13326	13.8
211.15042	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03934	7.5
55.01868	7.2
55.05269	3.3
55.05517	50.5
55.65908	1.8
56.96293	3.4
56.96570	56.3
57.02003	1.9
57.03449	9.8
57.07079	4.7
67.05179	2.8
67.05508	39.9
69.03436	11.3
69.07075	21.0
71.05002	9.7
79.05494	34.5
81.03424	100.0
81.07063	46.7
83.04985	49.1
83.08626	40.8
84.96028	5.7
85.02903	4.0
85.06547	4.1
86.06068	2.8
88.85262	1.7
91.04967	3.5
91.05488	40.7
92.44379	1.8
93.07044	25.2
95.04975	37.4
95.08614	37.8
97.02893	3.7
97.06528	7.1
97.10162	14.2
97.65498	1.9
97.99216	10.3
97.99757	2.1
99.04483	3.0
99.08092	5.2
100.11270	5.3
105.03413	4.5
105.07036	25.1
107.04970	6.6
107.08605	15.8
109.06510	9.3
109.10170	18.2
110.54559	2.1
111.04488	3.9
111.08099	13.2
116.00198	5.7
119.08603	26.2
121.10143	12.1
123.01098	1.8
123.08086	7.0
123.11700	3.9
125.02340	4.0
129.07014	13.1
131.07693	1.8
131.08533	10.9
133.06538	2.8
133.10127	19.6
134.09613	3.0
135.11626	4.5
137.05980	2.9
137.09634	6.4
139.12094	2.0
141.06953	2.8
142.07791	4.2
145.33928	1.8
147.08076	4.3
147.11700	18.2
149.09625	7.1
149.13271	3.2
151.03952	2.5
151.07619	1.8
151.14830	5.4
155.08508	6.6
157.10127	14.9
165.12813	5.1
167.06956	2.3
169.10144	5.6
169.12279	2.0
175.11206	15.0
175.14827	13.7
193.10471	3.1
193.12251	34.8
193.15903	7.8
196.08870	2.7
196.12462	3.5
199.06416	8.2
201.07968	3.1
205.98734	2.1
211.11342	4.2
211.13263	12.1
211.14861	7.8
211.16721	2.4
211.20418	2.6
217.07423	9.2
229.07521	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03944	6.0
55.01874	6.0
55.05516	46.1
56.96560	4.5
57.03442	9.2
67.05511	31.0
67.89475	1.3
69.03431	9.1
69.07076	8.8
70.26340	2.2
70.26706	3.2
71.04993	5.0
79.05502	33.3
81.03426	100.0
81.07066	33.0
83.04992	48.0
83.08624	32.3
85.02921	1.5
85.06579	3.3
87.04462	1.5
91.05492	30.0
93.07057	14.2
95.04978	32.8
95.08623	10.5
97.02899	3.7
97.06538	4.5
97.10178	7.7
99.08071	1.8
102.58577	1.3
105.07044	23.3
107.04967	6.7
107.08599	7.7
109.06525	4.8
109.10150	2.3
111.04469	1.9
111.08086	10.0
115.61386	1.3
117.07008	2.4
119.08596	20.0
119.09380	2.4
121.10126	8.8
123.08095	3.3
129.07030	12.1
131.08583	13.0
133.06479	3.5
133.10156	9.7
137.09639	2.5
142.07820	3.8
147.08054	4.0
147.11696	12.5
149.09663	7.4
157.10143	15.7
165.12724	2.7
175.11212	18.5
176.64352	1.3
193.12260	39.4
205.74323	1.3
211.13272	13.3
229.07454	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	211.1331
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03949	5.2
55.01878	6.1
55.05516	45.4
56.96556	3.5
57.03440	9.7
57.07062	1.5
59.05000	1.7
65.03938	2.2
67.05514	33.2
69.03434	10.3
69.06726	1.0
69.07073	12.9
69.20457	0.9
69.20754	9.4
71.04996	7.2
73.02918	1.0
79.05502	35.6
81.03426	100.0
81.07063	36.0
83.04991	50.9
83.08138	1.9
83.08627	29.4
85.02917	2.6
85.06541	2.7
91.05491	32.0
93.07056	18.9
95.04978	34.0
95.08620	16.5
97.02927	4.8
97.06539	4.6
97.10184	7.8
98.97592	1.3
99.08096	2.0
105.04511	1.2
105.07042	25.1
107.04961	8.2
107.08606	8.8
107.35323	0.8
109.06518	6.3
109.10155	3.8
110.49689	1.1
111.04441	3.6
111.08089	12.5
113.06017	1.3
115.05456	1.3
116.98614	0.8
117.07008	1.3
119.01833	1.0
119.04959	1.1
119.08587	20.8
121.06483	1.7
121.10174	7.8
123.08084	4.5
123.11715	1.8
125.09643	3.1
129.07016	13.0
131.08585	12.9
133.06509	4.4
133.10147	14.0
137.09590	3.5
141.07002	1.1
142.07779	3.4
145.10107	1.4
147.08073	3.7
147.11684	14.8
149.09637	8.0
151.07594	1.3
151.11157	1.6
151.40947	0.8
157.10132	17.9
165.06984	1.7
165.12756	4.0
167.07010	3.2
173.63223	0.8
175.11205	17.6
176.11447	0.8
181.08655	1.2
183.08070	1.3
193.12263	34.2
211.07602	3.3
211.11369	2.3
211.13274	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	211.1331
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03942	7.0
55.01880	8.6
55.05265	2.3
55.05516	40.5
56.96583	6.9
57.03439	10.7
57.07052	1.3
67.05508	33.4
69.03432	12.6
69.07067	9.9
71.04980	5.7
71.55231	2.6
77.03931	1.5
79.05061	2.6
79.05500	34.1
81.03426	100.0
81.07066	40.6
83.04987	52.8
83.08144	1.9
83.08629	36.0
85.02915	2.5
85.06551	6.5
89.08978	1.4
91.05489	34.9
93.07047	19.9
95.04980	30.0
95.08620	17.6
97.02888	4.2
97.06544	5.2
97.10172	7.7
97.99174	1.8
98.97573	2.6
99.04453	2.7
101.13749	1.4
103.05460	1.6
105.07039	25.7
106.13049	1.4
107.04953	8.3
107.08615	12.2
109.06535	7.8
109.10171	7.2
110.97604	1.7
111.04465	2.9
111.08094	13.5
115.05429	2.9
117.06982	1.7
119.04971	1.5
119.08593	20.9
121.06414	3.0
121.10160	9.8
123.08057	5.0
123.11717	2.2
125.09666	3.2
129.07022	12.4
131.08572	11.4
133.06468	4.5
133.10109	12.1
135.11707	6.6
135.91254	1.3
137.09596	3.1
142.07771	2.8
145.10184	2.2
147.08047	5.4
147.11682	16.4
149.09647	8.0
153.12708	1.2
155.08598	2.8
157.10132	15.5
165.12811	2.6
167.07115	6.9
168.05783	1.6
168.07388	2.1
175.11197	15.8
175.14883	2.0
183.08046	5.3
193.12265	31.0
199.06407	3.3
201.07935	1.7
211.07527	5.4
211.11473	1.9
211.13290	14.5
211.15030	2.5
211.16855	2.0
217.07425	2.0
229.07481	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.12117	0.8
51.02388	0.9
53.03946	5.6
55.01868	5.7
55.05516	37.7
56.96574	8.5
57.03439	7.9
59.04989	1.7
59.84449	0.9
65.03942	2.1
67.05508	25.5
69.03438	10.1
69.06784	1.0
69.07077	11.2
69.36652	6.0
69.37066	1.8
71.04999	4.8
79.05499	32.5
81.03423	100.0
81.07064	34.9
83.04987	53.5
83.05385	0.7
83.08626	37.0
85.02909	1.6
85.06525	4.1
91.05490	32.6
93.07046	16.0
95.04977	34.9
95.08603	13.6
97.02891	4.0
97.06522	4.0
97.10160	7.2
98.21563	1.9
99.08086	1.9
99.59035	0.9
103.05465	1.2
105.07037	22.1
107.04963	7.1
107.08616	8.3
109.06527	5.4
109.10145	3.7
109.89071	0.9
111.04461	2.2
111.08092	13.9
115.05460	1.6
117.06985	1.1
119.04947	1.0
119.08595	21.1
121.06504	2.8
121.10152	8.7
123.08041	4.4
123.11685	1.5
125.09639	4.0
129.07010	12.8
131.08580	11.1
133.06499	3.2
133.10138	11.9
135.11696	2.5
137.09610	3.3
142.07802	2.7
145.10130	1.8
147.08018	4.7
147.11699	13.4
149.09625	8.5
151.07648	1.0
157.10149	15.8
165.12794	4.2
167.07047	2.4
175.11200	18.3
175.14769	0.8
183.06741	1.0
193.12251	38.1
199.06442	3.8
201.07918	2.0
211.06062	1.1
211.11307	1.9
211.13260	15.5
211.14977	1.1
217.07492	3.2
229.07468	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29488	1.2
53.03951	6.1
55.01887	7.0
55.05517	39.4
56.96572	6.0
57.03437	9.6
65.03942	1.6
67.05512	27.7
69.03435	9.9
69.07077	10.4
69.17202	12.0
71.01360	1.9
71.04998	7.0
73.02934	2.7
79.05499	31.9
81.03425	100.0
81.07065	36.6
83.04990	47.0
83.08630	30.5
84.96044	1.5
85.02921	4.1
85.06548	3.8
91.05492	35.2
93.07050	16.4
95.04980	34.1
95.08611	14.2
96.12446	1.2
97.02892	4.5
97.06542	5.7
97.10182	7.5
98.21577	2.1
98.97592	3.7
99.04504	1.8
99.08093	2.2
103.05486	1.5
105.04591	1.2
105.06374	2.4
105.07040	24.5
107.04993	7.8
107.08602	8.4
109.06537	7.3
109.10166	2.7
110.97587	2.1
111.04460	4.0
111.08080	10.7
115.05526	1.9
116.98586	1.6
117.07020	1.8
119.08591	19.8
119.84683	1.1
121.06513	3.1
121.10153	8.0
123.04416	2.2
123.08064	5.4
125.09654	2.9
128.98625	2.8
129.06999	10.9
131.08586	10.8
133.06506	3.0
133.10150	10.6
137.05870	1.6
137.09560	2.5
142.07784	5.0
145.10193	1.4
147.04393	1.2
147.08055	4.5
147.11707	16.6
149.09610	6.8
153.07016	1.4
155.08551	2.0
157.10136	16.5
158.99629	1.8
165.07109	2.0
165.12836	2.5
166.17854	1.1
167.07062	5.0
168.05594	1.2
170.99579	1.7
175.11203	15.3
181.06468	1.7
181.10158	1.2
183.08119	7.8
189.00722	1.4
193.10426	2.5
193.12247	33.6
211.07611	7.1
211.11342	5.5
211.13326	13.8
211.15042	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
54.08017	1.1
55.01887	7.5
55.05518	46.8
56.96332	1.8
56.96569	21.9
57.03442	16.4
57.07074	2.8
57.47630	1.2
59.05007	9.0
62.29755	1.3
65.03933	2.1
67.05177	2.0
67.05515	36.1
69.03430	11.8
69.06730	2.0
69.07076	28.9
70.70675	3.0
70.71047	2.8
71.05001	38.3
71.95254	3.6
73.06554	1.7
74.44648	1.3
79.05501	40.9
80.69669	1.3
81.03427	100.0
81.07064	59.1
82.07381	1.4
83.04992	49.2
83.08150	2.1
83.08630	39.9
85.02869	1.7
85.06548	13.1
91.04967	2.2
91.05492	35.3
93.07058	38.6
95.04975	37.4
95.08617	50.0
97.02888	4.6
97.06544	19.2
97.10181	9.2
97.99165	1.7
98.20613	1.2
99.04453	7.3
99.08110	10.0
105.06380	2.3
105.07047	31.0
107.04960	6.6
107.08605	28.7
109.06525	8.8
109.10162	23.0
111.04424	2.8
111.08086	17.1
113.05969	1.6
113.09674	1.4
115.05447	1.6
115.07591	8.5
116.03241	1.3
116.98598	1.5
117.07061	1.8
119.08599	36.3
121.06505	2.1
121.10149	21.8
123.08110	7.3
123.11720	45.5
125.09661	4.8
127.07526	4.9
129.06314	1.3
129.07045	13.9
131.08594	11.6
133.06439	3.5
133.10152	29.9
135.11710	55.1
137.09651	9.7
137.13225	2.7
141.09097	2.6
141.12775	3.8
142.07785	4.6
145.10103	2.7
147.08070	3.9
147.11690	17.0
149.09618	5.5
149.13330	7.5
151.11163	1.9
151.14827	1.3
153.12761	14.5
155.03702	1.4
155.08536	2.9
155.10687	5.5
157.10155	12.4
165.07016	2.6
165.12779	3.7
167.07014	5.1
167.08330	1.7
167.14354	1.4
173.04767	1.6
175.11243	14.7
175.14845	31.1
183.06744	1.6
185.04803	2.0
193.12260	32.9
193.15926	9.5
199.06445	14.6
201.07977	4.2
211.05939	2.0
211.07591	6.2
211.11220	4.9
211.13318	11.6
211.15118	2.3
211.16933	50.9
217.07451	10.2
219.09047	1.5
229.07504	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	211.1695
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03949	6.5
54.08017	1.1
55.01887	7.5
55.05518	46.8
56.96332	1.8
56.96569	21.9
57.03442	16.4
57.07074	2.8
57.47630	1.2
59.05007	9.0
62.29755	1.3
65.03933	2.1
67.05177	2.0
67.05515	36.1
69.03430	11.8
69.06730	2.0
69.07076	28.9
70.70675	3.0
70.71047	2.8
71.05001	38.3
71.95254	3.6
73.06554	1.7
74.44648	1.3
79.05501	40.9
80.69669	1.3
81.03427	100.0
81.07064	59.1
82.07381	1.4
83.04992	49.2
83.08150	2.1
83.08630	39.9
85.02869	1.7
85.06548	13.1
91.04967	2.2
91.05492	35.3
93.07058	38.6
95.04975	37.4
95.08617	50.0
97.02888	4.6
97.06544	19.2
97.10181	9.2
97.99165	1.7
98.20613	1.2
99.04453	7.3
99.08110	10.0
105.06380	2.3
105.07047	31.0
107.04960	6.6
107.08605	28.7
109.06525	8.8
109.10162	23.0
111.04424	2.8
111.08086	17.1
113.05969	1.6
113.09674	1.4
115.05447	1.6
115.07591	8.5
116.03241	1.3
116.98598	1.5
117.07061	1.8
119.08599	36.3
121.06505	2.1
121.10149	21.8
123.08110	7.3
123.11720	45.5
125.09661	4.8
127.07526	4.9
129.06314	1.3
129.07045	13.9
131.08594	11.6
133.06439	3.5
133.10152	29.9
135.11710	55.1
137.09651	9.7
137.13225	2.7
141.09097	2.6
141.12775	3.8
142.07785	4.6
145.10103	2.7
147.08070	3.9
147.11690	17.0
149.09618	5.5
149.13330	7.5
151.11163	1.9
151.14827	1.3
153.12761	14.5
155.03702	1.4
155.08536	2.9
155.10687	5.5
157.10155	12.4
165.07016	2.6
165.12779	3.7
167.07014	5.1
167.08330	1.7
167.14354	1.4
173.04767	1.6
175.11243	14.7
175.14845	31.1
183.06744	1.6
185.04803	2.0
193.12260	32.9
193.15926	9.5
199.06445	14.6
201.07977	4.2
211.05939	2.0
211.07591	6.2
211.11220	4.9
211.13318	11.6
211.15118	2.3
211.16933	50.9
217.07451	10.2
219.09047	1.5
229.07504	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	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03947	3.2
55.01868	1.5
55.05513	2.2
56.96581	4.4
61.02932	10.1
65.03941	7.7
67.05505	3.4
69.03423	1.0
69.40911	7.2
70.06596	5.1
71.04980	1.1
72.08163	4.7
79.05501	20.8
81.03435	1.4
85.02925	2.6
86.09695	3.2
88.07642	1.3
89.03901	2.2
91.05486	5.6
93.03416	10.1
94.04230	1.1
95.04972	4.1
98.21519	1.1
98.97584	3.5
105.03379	1.4
105.04543	1.3
105.98755	1.0
107.04967	28.8
107.08585	1.3
108.02098	3.3
109.02901	1.6
109.06553	1.6
110.03667	25.8
110.07197	3.4
111.04449	9.8
116.98636	1.1
117.03371	1.2
119.04932	2.5
121.06532	11.0
122.03674	6.9
123.04420	1.2
125.06006	65.8
127.03940	1.1
128.58836	0.9
130.96323	4.4
133.02843	11.9
134.03676	1.0
135.04427	29.5
135.64166	1.0
136.01544	1.3
137.05975	6.9
138.09186	1.3
141.05466	3.6
143.07039	1.3
148.97411	5.9
149.05992	22.6
149.07138	1.9
150.03136	10.4
151.03925	100.0
151.05032	10.8
153.05482	12.2
161.01222	1.4
161.26668	0.8
162.03154	2.8
163.03955	8.0
165.05489	35.2
165.06905	1.9
165.73280	0.9
165.97591	1.1
167.07056	17.6
168.10110	0.9
177.05490	18.7
189.97699	1.9
195.06572	14.6
195.08333	0.9
196.09644	1.1
207.98692	1.8
213.07549	6.6
213.12564	1.0
221.57271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03947	7.3
55.01867	8.2
55.05518	18.9
57.03444	7.8
57.07097	4.2
67.05514	71.5
69.07074	25.0
70.44432	7.7
71.04982	8.0
74.41389	4.0
79.05499	37.9
81.03427	14.9
81.07067	100.0
83.04960	8.9
83.08624	17.8
85.02930	4.3
85.06543	7.7
91.05489	23.0
92.49609	4.0
93.07053	59.6
95.04957	4.4
95.08615	25.3
97.02911	5.0
97.06542	10.0
99.04485	4.9
99.08084	3.9
105.07039	9.0
107.08602	32.4
109.02870	8.0
109.06473	4.2
111.08102	9.4
117.07029	20.4
119.08549	7.6
121.10151	15.6
121.25747	3.4
123.11740	4.2
124.40266	3.4
127.03934	29.8
129.07060	6.7
131.08592	12.0
131.72543	3.6
133.10152	12.6
135.11725	8.3
143.08553	6.1
145.10170	27.1
149.13289	27.1
151.11177	4.0
153.01802	4.8
157.10139	11.2
159.11711	15.6
171.11722	14.5
195.06476	3.5
195.08153	6.5
195.13757	3.6
213.03902	8.4
213.09132	4.3
213.12820	5.1
213.16402	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03960	1.7
55.05258	1.5
55.05515	19.3
57.03443	1.7
57.07085	9.1
67.05511	5.3
69.03416	1.6
69.07078	5.7
70.87342	2.2
76.99271	0.8
79.05498	4.7
81.07079	7.3
83.04996	9.3
83.08643	0.9
85.06556	5.7
87.82383	0.9
88.07631	1.3
91.05495	5.9
93.07063	14.2
95.04942	1.2
95.08616	12.5
97.06535	5.5
99.04446	1.1
105.07044	7.8
107.04979	1.1
107.08610	20.3
109.06545	5.8
109.10174	2.7
109.36713	0.8
111.04455	100.0
111.08108	5.0
113.06027	1.9
114.53564	0.9
117.07052	2.0
117.66736	0.8
119.08588	3.5
121.06522	2.6
121.10159	3.6
122.07310	1.5
123.08041	1.6
124.43595	0.8
125.06007	29.7
127.07529	3.5
128.06255	1.6
130.07823	2.4
133.10092	1.4
135.08070	17.5
135.11716	24.3
137.06009	0.9
137.09549	1.0
139.07574	4.1
139.15651	0.8
142.07767	2.1
143.08540	2.9
145.10133	18.9
152.08328	0.9
153.12759	6.4
154.29608	0.9
156.09323	1.5
157.10143	5.2
162.67189	1.0
163.11195	26.9
170.10866	0.9
171.11723	3.7
181.12254	51.1
185.13188	1.0
195.12013	1.4
195.13849	4.7
198.10481	1.1
213.13045	4.1
213.14771	1.4
213.16486	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	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03946	3.0
55.01879	18.1
55.05515	74.2
56.96566	6.4
57.03441	1.7
57.07069	1.5
59.04998	3.6
62.93678	1.2
65.03948	1.5
65.52161	1.1
67.05172	2.0
67.05509	30.1
68.99784	2.0
69.03438	7.4
69.07073	13.4
71.04999	69.9
79.05499	23.7
81.03391	3.7
81.07064	31.7
81.54498	1.2
83.05000	6.2
83.08623	46.5
85.06564	7.2
87.00829	1.5
87.04482	9.5
88.65166	1.4
91.05490	6.5
93.07050	18.8
95.04947	2.0
95.08611	11.0
97.02882	1.8
97.06541	100.0
97.10176	65.9
98.97573	4.7
101.09660	1.8
105.07059	5.9
107.08601	22.9
109.02892	1.8
109.06512	3.0
109.10176	14.9
111.08080	4.6
117.07034	3.1
119.08586	2.7
119.96722	1.2
121.06516	1.8
121.10098	5.0
125.09641	43.1
127.03922	5.4
128.02261	1.5
128.06252	1.4
129.07048	1.5
131.08554	5.7
133.10117	5.2
135.08026	6.0
135.11684	5.6
142.07704	1.2
143.00208	1.8
143.10622	1.5
149.09669	1.9
149.13234	3.9
153.09174	3.0
157.10097	2.4
159.11659	5.2
167.08553	1.5
167.14343	1.4
170.99625	1.5
177.00729	2.1
177.12752	7.1
185.83331	1.4
189.11235	6.0
189.68126	1.3
195.13818	40.6
196.14209	1.4
213.05418	1.9
213.09094	5.2
213.14848	96.1
214.15157	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56993	0.6
53.03940	1.4
53.14376	0.7
53.75364	0.5
55.05519	3.4
56.96575	8.0
57.07084	5.6
64.28508	0.6
67.05491	2.7
69.03433	0.8
69.07073	9.1
70.06575	0.7
70.98121	0.7
71.04962	0.6
71.08633	1.1
71.55116	0.9
79.05489	7.0
81.07049	2.9
83.08619	2.9
88.07640	2.3
91.05490	8.0
93.07053	5.7
95.04961	1.3
95.08622	2.8
98.07059	0.7
98.52988	0.6
98.97595	1.4
103.05470	1.8
105.07042	52.0
107.08601	8.0
109.10123	0.8
115.05465	1.7
117.07006	3.5
119.08594	44.4
121.10160	8.9
128.06230	9.0
129.07021	9.4
131.00150	0.9
131.08626	3.2
133.10149	4.5
139.07599	1.4
141.06964	3.8
142.07784	15.1
143.08575	44.3
145.10149	4.6
149.01225	1.9
155.08537	3.7
156.09364	13.3
157.10146	53.7
158.10858	2.1
159.11642	1.6
165.07040	1.1
167.02338	0.7
169.10156	3.1
170.10915	4.9
171.11711	42.5
172.12263	1.9
180.09296	0.7
183.08005	1.0
183.11732	6.3
184.12442	2.1
185.09790	1.2
185.13272	6.6
192.11012	0.8
195.11757	1.6
197.13281	0.7
198.10416	2.0
198.14069	5.7
213.05458	2.7
213.12865	5.5
213.16409	100.0
214.16777	2.1
214.25362	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	214.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05503	1.6
56.05041	0.9
56.96570	33.7
57.03420	2.1
58.06597	0.9
61.02911	1.4
67.05476	0.8
69.03414	1.7
69.07072	12.1
69.16250	1.7
69.16653	7.6
70.06591	9.5
70.98129	1.9
71.05002	4.7
71.95254	0.9
72.08143	3.6
73.02904	2.4
74.97627	0.8
79.05506	1.0
81.03416	1.0
82.01446	1.1
82.99812	3.8
84.04510	4.3
84.08162	4.1
84.96008	2.4
85.02901	3.2
85.77847	0.7
86.09712	79.9
88.01514	0.7
91.69253	0.8
94.06554	1.1
95.03116	0.7
97.02893	2.4
97.06535	9.4
97.99142	1.1
98.06026	1.5
98.97583	15.9
99.04459	1.1
99.97899	1.4
100.02497	4.2
100.99177	5.4
101.00890	38.7
102.00972	0.8
102.96951	1.0
110.97566	5.5
112.02458	1.1
112.07600	1.2
113.00882	1.4
113.40395	0.8
115.02434	1.2
116.07079	1.4
116.98637	7.4
118.03529	10.7
119.01929	100.0
120.02023	1.9
124.00759	1.2
126.04029	0.7
126.97075	1.3
128.98599	4.9
130.03477	2.0
131.00200	1.1
131.01924	4.6
131.11949	0.7
132.95851	1.5
133.01649	0.8
133.03458	3.4
134.99660	2.2
136.04550	2.3
136.06076	0.9
136.07593	1.1
137.02963	25.9
138.09109	1.1
141.10222	0.8
142.01793	5.6
142.03484	1.2
143.01857	1.9
144.05028	2.6
144.08723	2.2
144.98106	4.2
145.03450	1.9
146.99686	4.7
149.02879	1.1
154.03519	0.9
154.08653	1.3
155.05510	1.9
156.05132	1.0
158.99617	1.0
160.02829	2.3
160.06367	1.1
162.09784	2.1
162.99144	2.2
163.04504	0.9
165.00661	2.6
168.08731	4.3
168.99812	0.9
172.02934	1.3
172.04532	3.5
172.97578	3.3
173.01219	1.5
173.02858	1.6
173.06564	2.5
175.04507	1.9
177.00670	0.7
178.03738	1.0
182.08099	2.2
186.04356	4.9
186.06081	1.6
186.09772	52.4
187.09961	1.2
190.05603	1.3
190.98619	7.1
191.03941	2.5
191.07716	1.3
196.08170	1.9
197.06573	3.8
204.05498	4.0
204.10851	17.2
205.11134	0.8
208.99760	5.5
209.11351	1.0
214.03755	1.0
214.05652	1.9
214.07506	1.7
214.09242	26.2
215.00343	1.3
215.07657	5.1
232.10326	57.5
233.08698	3.2
233.10699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01877	1.5
55.05513	0.6
56.96567	2.3
57.07072	0.6
63.98221	0.3
67.05500	0.6
69.03427	1.5
69.07059	0.3
69.81787	0.5
69.82201	1.2
70.06590	0.6
72.93785	0.5
79.05457	0.4
81.07069	0.7
84.04489	0.3
85.02906	0.5
85.06548	0.5
88.07603	0.4
90.94818	0.6
91.05487	1.2
93.07052	0.6
95.04942	0.5
95.08614	0.4
97.02910	0.4
98.97590	3.1
105.07030	0.6
107.04897	0.3
107.08577	0.4
110.97521	0.3
112.99176	0.3
115.05434	1.3
116.06244	0.4
116.98618	1.5
117.07027	0.6
119.01792	0.5
119.08578	0.3
121.06510	0.8
121.10112	0.4
123.04308	0.3
128.06226	1.3
129.07031	1.2
131.00211	0.6
131.04898	1.3
131.08583	1.6
132.95854	1.5
133.10132	0.6
134.99666	0.3
141.06999	6.0
142.07854	0.5
143.08585	1.5
144.05721	1.0
145.06497	3.1
146.07268	0.8
149.01187	0.5
149.96127	0.7
150.96887	2.1
152.06224	0.8
153.06975	1.5
154.07707	0.4
155.06042	0.3
155.08592	0.4
157.06517	1.5
157.10138	0.5
158.07259	1.7
158.99597	0.6
159.04457	1.2
159.08051	5.0
167.08525	1.7
167.97189	0.6
168.08931	0.6
169.06487	3.9
169.10178	0.9
170.07253	0.9
171.08064	10.4
172.08669	0.7
173.02397	0.4
173.06012	0.9
173.13248	0.3
177.00688	0.9
179.08559	1.6
181.06493	5.7
182.07275	2.1
183.08025	0.8
185.05885	0.8
185.09647	4.9
186.10387	5.9
187.07513	1.7
191.97142	0.8
195.08025	3.4
196.08757	3.1
196.13403	0.4
197.05983	1.3
197.09630	15.1
198.06763	11.4
199.07555	24.3
200.04669	0.7
209.98199	0.4
213.09119	44.3
214.09885	100.0
215.07002	9.5
215.10124	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	214.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.05505	0.5
56.96571	1.7
57.03435	0.5
61.62290	0.2
64.51823	0.3
67.05482	0.2
68.05021	0.3
68.99811	0.3
69.03426	1.3
69.07079	0.3
69.53860	1.7
70.06579	0.4
71.57504	0.2
72.08158	0.3
72.78165	0.2
72.93782	0.6
75.38976	0.2
79.05499	0.4
81.07051	0.6
84.04473	0.3
84.08138	0.4
85.02880	0.3
86.09698	0.5
90.94841	0.6
91.05473	1.1
93.07043	0.3
95.08607	0.4
97.02924	0.2
98.97594	2.4
105.07004	0.4
107.08551	0.3
112.99156	0.6
115.05465	1.0
116.06268	0.5
116.98647	1.5
117.07037	0.7
121.06487	0.9
128.02272	0.4
128.06216	0.8
129.07021	0.8
130.07426	0.3
131.00186	0.7
131.04945	0.7
131.08604	1.3
132.95879	1.3
133.10153	0.4
141.06999	4.1
142.07759	0.3
143.08545	1.1
144.05684	0.8
145.06496	3.6
146.07263	0.7
149.01225	0.8
149.96155	0.4
150.96884	1.9
153.06999	1.2
155.04988	0.3
157.06508	1.5
157.10161	0.4
158.07321	1.8
158.99667	0.7
159.04497	0.6
159.08070	4.4
166.07524	0.3
167.08572	1.7
167.97217	0.5
168.08937	0.4
168.10294	0.3
168.13869	0.3
169.06485	3.0
169.07773	0.3
169.10139	0.8
170.07185	0.8
171.08066	11.1
172.08731	0.9
173.02412	0.4
173.05998	0.6
173.13278	0.4
177.00702	0.9
179.08557	1.2
181.06493	5.9
182.07248	2.2
183.08049	0.8
184.05220	0.6
185.05804	0.8
185.09648	4.9
186.10413	6.3
187.07549	1.3
190.98616	0.3
191.97188	0.5
195.08080	3.4
196.08829	3.5
197.05975	0.9
197.09637	14.1
198.06773	11.3
199.07562	24.3
200.04742	0.6
200.08032	0.2
205.08708	0.3
209.98259	0.2
212.08394	0.3
213.09134	42.2
214.09897	100.0
215.07028	5.8
215.10155	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1077
Annotation	N-(3-Oxohexanoyl)homoserine lactone
Peak:m/z	Relative Intensity
55.01868	1.8
56.05020	2.7
56.46910	0.8
56.96559	3.6
57.03445	13.3
57.07067	1.7
65.03960	1.3
67.05505	9.4
69.03409	1.0
69.07067	3.3
69.81778	4.1
70.06586	1.5
71.04979	2.5
72.93774	1.1
79.05492	1.0
80.05012	0.9
81.07076	1.5
83.84325	0.9
84.04512	37.3
84.08151	100.0
85.02911	84.9
85.06542	1.8
86.09712	4.0
90.94820	1.5
94.06544	1.6
95.04974	12.8
95.08630	1.4
98.06062	1.2
98.21391	1.2
98.97559	4.1
102.05555	7.0
105.07027	1.3
107.08576	2.3
108.08123	11.8
112.07631	1.3
113.06014	16.9
121.06499	0.9
122.09654	5.9
130.08653	18.9
132.95862	6.2
139.88144	0.8
140.10696	2.0
149.96141	2.2
150.09143	19.0
150.10324	1.1
150.96922	4.8
151.07562	1.3
152.10696	3.8
152.44820	0.9
155.18582	0.9
158.99551	1.1
168.07399	1.2
168.10213	24.6
170.11720	1.3
177.00757	1.1
191.97151	2.4
196.09717	12.5
209.98259	0.8
214.08994	1.3
214.10789	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	215.0705
Annotation	4,5'-Dimethylangelicin
Peak:m/z	Relative Intensity
51.02388	0.7
53.03952	0.9
55.01868	0.7
55.05512	3.7
56.96566	0.7
57.03442	1.9
67.05508	0.6
69.07093	0.3
70.65532	0.8
71.05003	0.5
72.08132	0.3
72.93793	0.4
75.02370	0.5
77.03934	2.3
79.05507	0.3
81.07088	0.5
83.08624	0.4
89.03927	2.7
90.94821	0.4
91.05482	1.4
95.04984	0.3
95.08634	0.3
97.10146	0.3
98.97598	0.4
101.03893	0.5
103.05460	1.7
105.03405	3.5
105.89161	0.2
109.02637	0.2
115.05482	1.7
116.06253	0.6
117.03391	1.3
117.07020	0.6
119.04927	0.6
119.08638	0.3
127.11176	0.4
128.06218	0.4
129.03383	0.7
129.04500	1.3
129.07014	0.7
131.04929	2.0
131.08589	1.1
132.02081	0.4
132.95876	1.3
133.02864	13.8
135.04492	0.5
141.07008	2.5
144.01939	0.3
144.05708	0.9
145.02855	1.4
145.06523	0.8
145.10161	0.4
147.04425	1.1
147.76974	0.3
150.96889	2.0
151.03893	0.4
157.03972	1.2
157.06508	0.8
158.03647	0.4
159.04425	8.3
159.08064	1.8
161.02350	37.3
162.02646	0.6
163.03976	0.8
169.06505	2.3
169.07703	0.4
171.04413	0.4
173.02353	100.0
174.02708	1.6
177.05530	0.5
178.53127	0.3
185.05977	2.0
186.03127	7.2
187.03920	3.4
187.07515	2.8
187.11121	0.4
191.97194	0.5
197.06004	2.0
200.04694	0.9
209.98260	0.4
215.07037	41.0
215.18073	0.3
216.07390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1432
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
50.90716	0.7
53.03946	0.8
55.05507	2.5
56.96560	2.3
57.03435	1.7
57.07064	1.0
59.04986	0.7
59.78815	0.6
64.83991	0.7
64.93471	0.7
65.59316	0.7
67.05500	2.0
69.03432	1.2
69.07053	1.0
70.95848	0.8
71.04984	3.0
71.54932	1.0
72.08139	1.1
72.93774	1.2
74.09711	1.8
79.05493	2.0
81.07050	3.2
81.21804	0.8
83.04975	1.2
83.08617	3.3
87.68085	0.6
90.05285	0.7
90.94817	1.0
91.05480	7.1
93.07047	4.3
95.04958	2.6
95.08612	2.6
98.97583	1.7
98.98433	0.8
105.07036	7.3
107.08597	2.2
109.06530	3.5
115.05447	2.8
116.06206	0.7
117.07001	3.4
119.08598	7.6
121.06496	2.4
123.08047	1.3
126.09100	0.8
128.06227	2.2
129.07018	7.4
130.07790	1.8
131.08569	19.0
132.95851	7.7
133.06706	1.3
133.10146	2.5
141.06992	8.6
142.07794	11.6
143.08571	12.4
144.09309	2.2
145.06490	3.8
145.10143	21.5
149.96080	1.2
150.96899	8.8
153.06909	1.0
154.07753	1.9
155.08601	6.0
156.09351	10.6
157.10141	44.7
158.07256	1.3
158.10928	11.9
159.04440	1.2
159.08081	10.1
159.11700	5.1
161.02328	1.4
167.08585	8.7
167.97134	1.1
168.09386	0.9
169.06516	2.0
169.10136	7.8
171.08087	1.8
171.11726	10.0
172.08849	1.3
172.12474	9.4
172.94385	1.3
173.02371	5.3
173.05963	0.9
173.09659	13.4
173.13266	28.4
181.10112	1.0
182.09409	1.4
182.10922	20.1
185.09630	5.5
186.10402	2.9
187.07565	3.0
187.11198	2.0
187.14839	8.8
190.95425	1.2
191.97194	4.0
193.07083	0.7
196.53998	0.8
197.05991	1.7
197.13277	30.7
198.11298	1.0
200.11960	7.0
209.98236	1.4
215.07076	10.2
215.10802	3.8
215.14330	100.0
216.12596	1.0
216.14627	1.5
224.42429	0.9
232.96515	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	217.159
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03949	2.4
55.01880	2.0
55.05516	41.4
56.96553	2.6
57.03428	2.2
57.07073	2.4
59.04990	4.1
67.05508	16.0
69.03432	7.9
69.07076	9.9
70.02951	5.1
71.04987	1.8
73.02917	1.7
79.05517	14.4
81.03421	2.3
81.07063	19.4
83.04989	64.8
83.08619	6.4
85.06532	4.1
85.29044	1.5
87.04463	5.0
89.02399	6.1
89.06045	9.5
91.05490	16.7
93.07050	30.6
95.04980	45.4
95.08060	2.0
95.08620	23.4
97.06522	8.7
99.04458	4.9
101.05472	1.6
101.06042	21.5
105.07039	54.2
107.05031	1.9
107.08604	23.9
109.06531	16.7
109.10167	17.1
111.04453	88.7
111.08057	3.6
113.06044	9.2
117.07023	5.0
119.07798	2.6
119.08593	33.1
119.19088	1.4
121.06480	5.8
121.10151	76.9
123.08057	11.4
123.11661	3.2
127.00209	1.3
127.07563	10.3
128.06230	4.2
129.05511	16.5
129.06993	6.4
131.08594	10.5
133.07591	1.6
133.10144	19.4
135.08084	2.8
135.11676	4.2
137.05980	3.3
137.09628	4.2
142.07796	7.9
143.08586	14.2
145.10176	11.0
147.08070	8.2
147.09058	1.6
147.11700	8.5
149.09627	2.4
155.07045	100.0
156.07370	1.7
156.09361	4.2
157.10136	25.3
157.82141	1.5
159.08110	2.5
159.11732	12.1
161.05962	4.2
161.09627	16.6
161.13307	3.1
171.11725	8.7
173.08116	63.8
173.13229	8.7
174.18513	4.4
175.11185	6.5
175.14877	3.2
184.12479	3.5
187.14864	3.2
189.09076	2.7
189.16396	5.3
199.09674	7.5
199.11331	2.3
199.14847	35.6
200.12830	3.3
217.04948	2.7
217.08670	3.6
217.10674	46.4
217.15881	84.2
217.19287	2.6
218.13922	16.8
218.16028	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	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75921	57.4
69.76320	100.0
71.63396	31.0
126.35242	33.4
219.02547	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	Toxol
Peak:m/z	Relative Intensity
53.03937	2.2
55.01869	1.6
56.96555	2.3
57.03430	2.2
63.34251	1.2
65.03953	2.3
67.05505	4.2
68.99805	2.9
70.89555	1.3
70.89894	2.6
75.44954	1.0
77.03932	1.4
79.05506	7.7
81.03417	2.7
89.03876	1.3
91.05491	12.0
93.07043	2.1
95.04987	14.2
95.08663	1.2
97.06541	1.7
98.97575	1.9
103.05448	2.9
105.07020	3.7
107.04961	5.0
107.08614	1.7
108.44183	1.4
109.02920	2.6
115.05447	11.3
116.06245	4.6
117.07001	3.9
119.08595	2.4
121.02864	5.1
121.10169	2.7
123.04436	3.4
128.06250	9.6
129.07022	45.1
130.07784	3.6
131.04921	8.3
131.08583	36.4
133.10147	3.6
135.04436	10.9
137.05992	4.5
140.06183	1.3
141.06999	36.4
143.04906	2.7
143.08553	3.2
144.05701	7.0
145.06517	8.5
146.07288	5.1
146.64014	1.2
148.05202	1.8
157.06514	23.4
158.07283	21.1
159.04422	3.6
159.08052	28.2
159.11708	1.3
160.05251	5.5
161.06000	1.8
161.09616	2.9
163.03920	22.7
163.07542	1.9
168.05653	1.6
169.06488	15.8
169.07698	1.6
170.07260	6.1
171.08012	1.3
173.06050	5.8
173.13374	1.4
174.06789	78.0
175.07556	15.8
177.01852	3.4
185.06165	1.4
186.06781	17.4
187.07524	2.7
188.08328	5.0
189.09134	98.0
190.09590	1.2
191.03412	42.1
191.10730	6.6
195.02921	2.8
201.01361	1.4
201.07265	2.5
201.09132	42.6
201.16357	1.7
203.14337	4.4
209.04366	1.8
219.02936	38.2
219.10193	100.0
219.13809	3.2
219.17448	20.8
220.10518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
53.03935	0.6
55.01863	1.1
55.05513	6.1
56.96576	4.4
57.03444	1.0
57.07069	2.4
59.04990	2.1
67.05515	8.0
69.03424	1.4
69.07075	28.8
70.49936	1.1
71.05009	3.3
77.03918	0.5
79.05501	5.9
81.03419	0.6
81.07063	12.2
83.04969	2.1
83.08622	4.6
85.06545	3.2
91.05498	5.7
93.07052	12.6
95.04976	3.2
95.08616	19.9
97.06544	2.9
97.10162	1.6
103.05485	0.5
105.07043	17.5
107.04962	0.6
107.08605	19.4
108.08951	0.6
109.06540	4.7
109.10167	19.4
109.10924	0.9
111.04429	0.6
111.08096	3.4
116.10735	0.8
117.07025	2.6
119.08591	20.1
120.23980	0.4
121.06550	2.6
121.10154	19.1
121.11034	1.0
121.19806	0.4
123.08056	3.5
123.11721	5.5
125.09618	2.5
129.06979	1.2
130.07793	1.3
131.08578	5.5
133.10147	10.1
135.08086	4.1
135.11703	14.2
136.92223	0.5
137.09630	10.4
137.13235	1.5
143.08554	1.2
144.09329	0.8
145.10143	18.3
147.11700	5.6
149.09639	9.1
149.13281	5.1
151.11183	2.0
154.93230	1.6
157.10081	0.5
159.11707	10.1
161.09590	0.6
161.11960	0.8
161.13264	11.5
162.78236	0.5
163.09853	0.7
163.11205	15.2
163.14848	1.3
171.11673	0.7
172.94246	4.8
173.13290	3.1
175.14830	7.1
177.12790	3.9
177.16374	1.9
188.12843	0.7
189.12753	0.5
190.95297	4.3
191.17957	8.2
195.95940	1.2
201.13229	1.3
201.16403	16.0
203.14326	6.3
213.96941	1.9
219.14381	7.6
219.17453	100.0
220.17879	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
55.05507	1.3
56.96558	1.4
57.07079	7.2
59.05009	5.3
61.02939	0.9
61.30832	0.8
62.61509	0.8
67.05505	6.0
69.07079	5.8
70.02955	8.9
70.69960	1.2
70.70287	1.3
72.04147	1.3
72.04523	16.7
72.08155	1.0
73.02920	3.9
73.06573	0.8
74.02451	1.5
79.05499	0.9
83.04980	2.1
83.12463	0.9
83.78428	0.7
85.06554	11.9
86.06091	0.8
86.09703	2.2
87.04469	1.4
87.08111	1.7
88.51580	0.7
90.05565	100.0
95.04976	7.8
96.08139	2.7
98.02425	19.4
98.06043	1.9
98.09657	0.9
98.97541	1.7
100.03983	3.2
103.07597	7.4
105.03925	0.7
105.50058	0.9
112.07626	1.2
113.06023	3.1
116.03468	14.2
124.07603	18.1
132.70451	0.8
139.64636	0.8
140.10681	1.0
142.08676	7.3
156.10210	1.4
158.11823	4.6
160.03271	0.9
160.09692	2.3
166.08665	2.3
174.11264	3.0
184.08139	1.8
184.09711	24.6
188.12860	1.1
202.10764	30.1
205.15857	1.9
220.09634	1.5
220.11816	29.3
220.15236	1.8
220.17621	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	220.1183
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01859	0.8
55.05508	1.9
57.07082	7.1
59.05010	5.3
65.29869	0.7
67.05514	6.7
69.07074	5.7
70.02961	8.2
70.76526	1.4
70.76860	1.4
72.04520	20.2
73.02919	4.6
74.02429	1.6
76.30492	0.7
83.04974	1.2
85.06551	10.1
86.09731	2.1
87.04459	0.8
87.08114	2.3
90.05560	100.0
94.06538	0.7
95.04976	6.4
95.32545	0.8
96.08134	2.9
97.02811	0.7
97.05693	0.6
98.02419	21.2
98.97625	0.7
100.03976	2.9
103.07578	9.4
113.06024	3.4
116.03465	13.1
124.07603	20.9
138.09024	0.7
142.08636	8.1
156.10190	1.3
158.11766	2.0
160.09717	1.7
166.08649	2.2
174.11275	3.0
181.05022	0.8
184.08130	1.4
184.09703	20.7
188.12895	1.1
202.10754	29.7
205.15884	1.5
219.87859	0.7
220.11821	25.2
220.17738	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1699
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.96584	0.2
57.07053	0.1
59.58922	0.2
62.13806	0.1
67.05466	0.2
68.55407	0.1
70.25618	0.6
79.05517	0.1
85.46811	0.1
91.05482	0.2
98.97565	0.2
105.03424	0.7
106.06542	0.1
107.38602	0.2
116.10735	0.1
118.06551	9.6
119.07314	0.3
120.08110	0.2
128.10751	0.2
131.08583	0.2
132.08112	2.8
133.08887	1.2
134.09628	1.1
144.08049	0.3
146.09665	2.7
147.10495	0.4
148.11189	0.3
150.94243	0.1
160.11217	0.4
162.09164	5.8
163.09854	0.2
175.07170	0.2
176.10806	3.6
176.14360	27.6
177.10146	0.2
177.11487	1.1
177.14726	0.3
178.12242	0.2
179.64793	0.2
188.12727	0.3
189.15132	0.2
190.09497	0.3
190.12260	3.2
191.13039	0.2
196.70279	0.1
202.15923	0.8
204.13875	0.3
205.15872	0.5
216.57666	0.2
220.16978	100.0
221.17316	1.7
227.16258	0.1
241.23471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.9
55.82846	1.4
56.96571	8.6
56.96808	1.6
57.07051	2.6
66.30245	1.5
67.05500	5.1
69.03433	2.9
69.07052	3.0
69.24850	4.1
69.25273	12.5
70.06586	1.5
71.14351	1.5
75.43398	1.5
79.05502	2.9
81.07060	4.8
83.04971	2.6
83.08615	2.3
85.02916	2.7
85.95428	1.8
91.05480	5.6
93.07059	3.5
95.04978	5.9
95.08603	5.5
97.02892	2.5
97.06557	2.1
98.97612	10.0
103.05434	2.3
104.10725	1.5
105.07048	8.1
107.04926	1.8
107.08620	3.6
109.06525	2.6
109.10171	4.1
111.08087	6.1
115.05493	4.0
116.98656	4.1
117.07034	6.5
119.04950	3.6
119.08599	6.5
120.04469	1.6
121.06503	5.1
121.10151	3.3
123.08121	1.9
123.11723	1.5
129.06985	1.7
130.06537	9.3
132.04462	3.0
133.06477	2.6
133.10135	3.1
135.08046	2.6
135.10008	2.2
135.11693	2.0
137.05989	3.5
137.09642	3.4
137.13206	1.5
145.06465	4.2
145.10115	1.9
147.04396	9.4
147.11665	1.5
148.07574	2.3
149.09645	3.4
151.03935	2.2
153.09123	2.2
158.06042	5.2
158.99672	2.4
161.05974	5.5
161.09630	1.9
165.09109	3.0
175.07471	3.8
175.08817	3.1
175.14815	2.2
176.07065	7.1
177.05548	1.6
179.06981	1.6
189.05247	12.0
193.15828	2.9
203.07114	2.6
206.16179	1.9
212.07014	1.7
217.90256	1.9
219.03986	1.5
221.04427	6.4
221.07869	100.0
221.15318	10.2
221.18716	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	221.0811
Annotation	4,6-Dimethoxy-5-methylcoumarin
Peak:m/z	Relative Intensity
55.05525	1.1
56.96572	2.6
57.03434	6.4
57.03651	0.5
57.07064	1.1
65.03952	1.0
67.05511	1.4
69.03426	1.0
69.07089	1.4
69.40752	2.0
69.41170	1.5
78.11441	0.5
79.05511	1.2
81.03451	0.7
81.07040	2.4
89.49881	0.4
91.05485	12.8
93.07058	2.1
95.04992	1.1
95.08624	1.8
97.06565	0.8
98.97585	0.5
105.07029	2.4
107.08597	1.7
109.06530	0.9
109.10191	1.6
111.08112	1.0
119.04954	31.7
119.08594	1.5
121.06518	1.4
121.10156	1.3
123.04488	0.5
123.08097	1.0
131.08534	0.5
133.06505	1.3
133.10135	1.7
135.08006	0.5
137.05974	0.9
137.09604	0.5
141.46704	0.5
142.07779	0.6
143.08612	0.6
144.12231	0.5
145.10193	0.8
147.04420	100.0
147.11723	1.0
148.04732	0.9
149.05962	0.6
161.09674	0.6
161.13246	0.9
165.05484	3.2
165.06810	0.8
165.09100	0.7
175.07446	0.7
175.14839	1.0
177.05598	0.7
179.03076	0.6
182.11420	0.5
193.03789	0.6
193.15991	0.5
202.63290	0.5
203.10628	0.9
203.14217	0.7
203.17993	0.8
206.05692	1.2
206.07401	1.1
206.16232	0.6
221.04486	1.8
221.08072	35.6
221.15321	2.3
221.18900	1.3
222.08379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	4,6-Dimethoxy-5-methylcoumarin
Peak:m/z	Relative Intensity
55.05511	0.2
56.26999	0.2
56.96574	0.2
57.03440	5.9
61.50709	0.2
65.03959	0.7
77.88531	0.2
79.05534	0.2
81.07048	0.2
91.05486	11.2
95.04959	0.3
95.08627	0.3
97.36305	0.2
98.20729	0.4
107.08592	0.2
109.52910	0.2
119.04950	29.9
121.10183	0.2
123.04375	0.3
139.67812	0.2
140.14247	0.2
147.04417	100.0
148.04784	1.1
148.39909	0.2
165.05496	2.9
218.29138	0.2
221.08092	30.1
222.08469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.081
Annotation	4,6-Dimethoxy-5-methylcoumarin
Peak:m/z	Relative Intensity
51.02383	0.1
57.03444	5.7
63.30569	0.1
65.03937	0.6
65.65102	0.1
69.38283	0.1
69.96313	0.6
78.05828	0.1
78.66975	0.1
91.05492	11.3
92.05874	0.1
93.07077	0.2
95.04971	0.2
97.22082	0.1
98.27975	0.1
105.07055	0.1
119.04958	30.8
120.05283	0.5
123.04427	0.2
147.04427	100.0
148.04752	1.3
165.05492	2.6
168.05171	0.1
206.07315	0.2
206.16296	0.1
208.86151	0.1
221.08107	28.2
222.08490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.66888	0.4
56.26932	0.5
56.96563	0.6
67.05479	0.6
70.06561	0.6
70.78672	0.6
70.79012	1.0
81.07016	0.9
82.02914	1.4
91.05447	0.5
93.07000	0.6
94.06572	3.7
98.97558	1.0
103.05470	0.8
116.07050	0.5
128.22160	0.5
130.06543	50.0
132.04468	37.4
136.72025	0.5
147.09209	0.8
148.07553	1.0
156.06873	0.5
157.07634	24.3
158.06030	69.7
159.06311	1.0
175.08687	100.0
176.07127	2.4
176.09013	1.2
186.05533	1.6
203.08186	1.2
204.06541	3.8
212.42285	0.5
221.04556	0.8
221.09270	19.9
222.09543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02373	1.7
53.03944	7.9
55.01875	3.1
55.05513	15.2
56.96573	16.7
57.03432	7.2
57.07080	3.7
59.05000	3.0
65.03944	4.8
67.05510	24.8
69.03439	1.7
69.07067	13.4
71.04987	7.2
71.55575	1.7
79.05500	65.2
81.07066	42.7
83.04997	5.9
83.08637	4.5
85.06548	5.7
91.05489	60.2
93.07054	100.0
95.04971	12.0
95.08618	24.5
96.75408	1.5
97.02889	4.2
97.06557	5.7
98.97588	5.2
99.04433	2.7
103.05494	2.6
105.04539	2.0
105.07044	40.0
107.08606	76.5
109.06538	10.6
109.10166	6.8
110.97544	1.8
111.04449	4.3
111.08089	2.3
116.98649	2.7
117.07027	6.5
117.11113	3.1
119.04967	26.3
119.05834	2.8
119.08588	45.6
121.06525	5.9
121.10155	18.4
123.08065	4.4
123.11668	1.9
128.06248	2.1
129.07008	7.3
129.11049	2.3
131.08598	10.0
133.06505	2.5
133.10155	14.1
135.08069	5.6
135.11699	4.3
137.06029	3.4
137.09625	4.9
140.00089	1.8
142.07834	1.9
143.08578	9.2
145.10165	3.7
147.04420	98.8
147.08066	5.2
147.11729	10.0
148.04733	2.0
151.03903	1.6
151.07628	2.2
153.09178	2.1
157.10143	6.7
159.11679	11.9
161.09642	5.3
161.13280	33.0
163.11290	2.3
165.05501	2.9
165.09140	4.6
165.12828	5.1
165.66849	1.6
174.93721	4.2
174.99174	2.7
175.02826	3.8
175.07521	1.7
175.11198	12.4
175.14847	8.8
185.13239	15.7
189.13168	3.2
192.94934	3.5
193.12294	12.8
197.95499	2.7
203.10739	2.2
203.14330	14.0
203.17874	3.0
206.07289	3.7
206.10895	2.1
206.16301	5.8
221.04474	5.0
221.07973	30.0
221.11777	8.6
221.15414	40.2
221.18948	4.1
234.15459	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91328	1.1
71.07378	2.7
80.69386	0.9
86.09715	21.8
95.14072	1.2
105.11081	1.0
162.94658	18.6
208.31651	1.1
222.01982	100.0
228.65034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05516	59.2
56.96568	12.6
57.03437	1.4
57.07063	1.4
58.99585	2.1
67.05502	2.7
69.03436	2.6
69.07054	2.5
70.06602	2.7
70.88682	2.8
71.04993	1.4
72.08160	3.2
76.02240	2.7
79.05476	3.5
81.03434	1.2
81.07061	5.3
83.08627	100.0
84.04541	1.7
84.08136	3.2
85.02908	2.4
86.09727	1.4
86.99056	4.5
91.05502	2.9
93.07025	2.6
95.04941	2.3
97.02891	1.8
98.97595	14.7
99.04462	1.1
101.09669	11.9
103.05452	2.5
105.00094	7.4
105.07017	2.5
107.04973	1.5
109.06570	1.4
110.06100	1.5
110.97583	1.3
111.04479	1.5
111.08065	1.5
116.98626	4.7
118.06567	1.9
119.08570	1.9
120.08118	8.0
120.23917	1.2
121.10120	2.8
122.02724	2.6
123.08033	1.4
128.98659	2.5
129.10197	1.5
130.06534	53.1
131.04939	2.8
132.04494	8.9
134.05974	1.2
134.09636	1.4
134.99643	2.7
136.07559	1.8
147.11674	1.7
148.07578	15.8
156.97495	2.4
158.06041	17.4
158.99663	1.9
163.07568	2.5
174.98592	1.8
176.04602	1.7
176.07080	45.4
177.00668	3.3
178.08580	1.3
194.08168	1.6
204.02919	2.5
205.09004	11.0
212.02335	1.3
217.00198	3.2
219.01820	2.0
222.04558	1.7
222.07765	3.9
222.11313	5.0
222.14928	1.9
223.06081	2.2
225.04355	1.7
230.03409	2.9
237.02748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1081
Annotation	Phe-gly
Peak:m/z	Relative Intensity
50.11233	0.4
51.88084	0.4
54.53244	0.4
55.01872	1.0
55.05503	1.0
56.96576	4.1
57.03443	0.7
61.02936	0.6
62.81417	0.4
64.03258	0.4
65.03929	0.5
67.05507	1.8
68.59819	0.4
69.03432	1.7
69.07063	1.0
69.38963	0.5
69.78741	2.3
70.06599	1.9
70.98100	0.4
71.04991	0.6
72.08156	0.9
73.02904	0.6
73.04739	0.5
79.05499	1.8
79.45056	0.4
80.05024	2.4
81.03424	1.0
81.07060	1.7
83.05003	2.2
84.04480	0.5
84.08171	1.5
84.96075	0.6
85.02911	1.9
86.09702	1.0
91.05497	1.6
91.15454	0.5
93.07033	2.3
95.04980	1.4
95.08591	1.1
97.02904	3.2
97.06551	0.6
98.20773	0.9
98.97591	1.9
99.04483	0.9
103.05489	4.5
105.07022	1.4
107.04981	3.5
107.08600	1.8
109.06506	1.0
109.10236	0.5
111.04408	0.7
111.08121	1.6
116.07125	0.5
116.98633	1.3
117.06987	0.7
119.08595	0.9
120.08120	100.0
121.02899	0.7
121.06508	1.6
121.08465	0.6
121.10144	1.1
123.08111	1.1
125.09628	0.7
128.02391	0.5
129.10222	0.5
131.04938	2.1
133.10248	0.6
134.99677	0.5
135.04466	0.9
135.08060	0.7
135.11711	0.7
135.49939	0.5
137.05959	0.6
137.09630	0.5
139.07584	1.6
145.10161	1.0
145.30046	0.5
147.11659	0.5
149.02359	4.5
149.05998	1.9
149.09665	0.7
158.99696	0.6
159.11731	1.2
161.75603	0.5
162.03156	0.7
163.03941	2.4
163.11212	2.1
165.09128	1.0
166.08659	30.0
167.07085	0.7
177.00710	0.8
177.05466	0.6
177.10284	8.2
177.12706	0.7
181.12299	1.3
186.77884	0.5
190.02676	0.7
199.56929	0.5
205.04951	0.6
205.12263	1.7
208.03722	0.6
209.01268	0.8
223.05940	5.9
223.10970	1.8
223.13347	2.9
223.16824	0.9
225.04308	7.0
227.02243	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01870	0.5
55.05258	0.2
55.05515	3.8
56.96560	0.3
57.07082	0.2
59.93282	0.1
61.05926	0.1
62.01249	0.1
64.23532	0.1
67.05508	0.3
69.29004	0.8
69.29430	0.4
69.71039	0.1
78.34284	0.1
79.05486	0.3
81.03418	0.4
81.07044	0.3
83.04939	0.2
91.05502	0.2
93.07035	0.3
93.58530	0.1
95.04989	0.7
95.08617	0.2
98.21489	0.3
102.44807	0.1
105.07016	0.2
107.04966	0.3
107.08610	0.2
119.08562	0.3
121.06501	0.2
121.10155	0.2
131.08540	0.1
132.87396	0.1
136.61690	0.2
141.06963	0.3
144.05676	0.3
145.10150	0.2
149.02368	0.3
152.06158	0.7
153.06989	1.0
154.07880	0.2
155.08566	0.3
158.07379	0.2
163.03937	0.2
163.05283	0.1
163.11159	0.2
165.07007	2.9
166.07788	0.8
167.08563	2.0
168.05699	1.2
169.06451	1.3
177.00677	0.2
177.05634	0.2
177.06992	0.7
178.07771	1.1
179.03366	0.1
179.08626	0.7
180.09309	1.2
181.06491	20.1
181.10033	2.8
182.07281	2.5
189.06996	0.5
190.07779	2.9
191.08553	1.6
193.10143	3.1
194.07281	7.8
195.08063	6.6
195.11694	2.2
202.07823	0.2
203.08545	0.7
204.09331	0.2
205.10143	16.2
206.07240	0.2
206.10410	0.2
207.06230	0.3
207.08052	3.9
208.08846	11.9
209.09357	0.2
221.09543	0.9
222.10368	0.3
223.11188	100.0
224.11519	1.2
225.04350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.28302	3.0
52.38872	3.0
53.03944	13.6
55.01860	11.3
55.05521	21.7
56.96339	3.6
56.96574	43.4
57.03439	20.0
57.07061	8.9
59.05001	11.3
61.02924	3.9
65.03931	5.2
67.05511	27.3
69.03077	3.3
69.03436	35.7
69.07053	12.8
70.06583	9.9
71.04987	10.6
71.54868	3.4
72.08155	6.1
73.02897	7.9
77.03925	4.5
79.05500	30.4
80.05010	12.5
81.03410	12.3
81.07055	32.5
83.04985	40.4
83.08614	11.5
84.08141	28.9
84.96030	3.7
85.02904	17.4
85.06564	3.4
86.09710	41.9
87.04490	4.4
90.01556	4.6
91.05489	51.0
93.03471	2.9
93.07054	100.0
95.04985	23.6
95.08611	16.1
97.02905	19.7
97.06525	12.4
98.97594	62.4
99.04448	6.4
100.02467	7.2
103.04002	4.2
103.05463	11.2
105.00117	4.3
105.03397	7.4
105.04502	4.0
105.07037	39.4
107.04955	10.9
107.08591	34.7
109.02859	5.0
109.06537	20.6
109.10152	8.4
110.01230	3.0
110.97571	8.7
111.04443	3.7
111.08072	14.6
112.99136	3.5
113.05998	7.9
116.98625	27.5
117.07030	16.3
119.01824	6.3
119.08590	22.3
120.08105	7.0
120.97919	3.2
121.02895	5.9
121.06511	88.0
121.10166	31.9
123.08076	11.1
123.11724	6.0
125.05997	6.7
125.09624	7.7
127.07593	10.0
128.02304	6.6
128.98584	10.5
129.02104	3.2
129.06987	8.0
129.10278	5.7
130.07802	4.5
130.08647	11.8
131.00168	6.3
131.04886	3.7
131.06859	11.6
131.08578	22.3
133.06490	3.6
133.10152	21.0
134.01936	4.4
134.99677	7.9
135.04434	8.0
135.08060	17.5
135.11664	11.9
137.05977	10.3
137.09602	12.2
139.07549	22.6
142.07803	4.0
143.00150	3.1
144.09343	5.2
145.06516	6.2
145.10176	16.2
146.99661	3.5
147.04346	4.5
147.08034	10.5
147.11421	13.3
149.02347	33.5
149.05968	12.8
149.07901	5.7
149.09625	48.1
149.13231	5.6
151.03772	2.9
151.07578	5.2
151.11185	6.0
153.09116	13.8
157.10115	4.6
157.13315	7.8
158.99706	21.2
159.04962	3.6
159.11700	31.8
161.09605	16.4
162.01413	7.9
162.03285	6.1
162.34123	3.7
163.03944	15.5
163.07521	8.8
163.11171	26.7
165.09128	7.3
167.07056	11.3
167.08490	4.5
167.11977	3.8
168.05360	3.3
169.10175	4.5
172.08919	5.3
173.01265	7.7
173.04858	3.6
175.11171	14.6
177.00697	22.8
177.05740	4.8
177.07397	11.0
177.09062	7.7
177.12796	22.5
179.10732	16.6
182.05072	4.0
185.01328	3.4
187.11153	17.5
187.18988	3.7
190.00969	6.2
190.02585	7.8
191.05754	9.1
194.07063	11.0
200.07751	3.3
202.06743	7.9
202.56792	3.2
203.02391	4.0
203.07542	17.0
205.05019	4.0
205.08380	5.1
205.12224	44.2
208.01912	4.8
208.03653	5.5
209.01198	4.8
212.07988	4.4
214.08385	3.1
216.43181	3.2
223.04181	17.6
223.06032	37.7
223.07614	3.0
223.09389	7.2
223.11125	8.5
223.13219	78.5
223.16812	5.2
224.83012	3.3
225.04330	25.9
227.02113	5.1
243.09189	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.4
69.46350	1.0
71.18198	1.8
71.18530	1.4
81.07082	1.3
82.99855	3.0
83.63496	1.1
84.96038	2.2
98.97564	2.9
100.01357	0.9
101.00890	36.7
107.04959	1.4
116.98859	1.6
119.01929	76.8
120.02003	2.1
124.02454	2.8
130.57458	1.0
134.99933	5.4
137.02950	12.9
140.98807	3.2
142.03503	15.2
155.42197	1.0
158.99896	15.2
160.04578	3.3
161.02946	6.5
175.03061	1.5
177.00961	100.0
178.01115	6.1
179.04015	7.7
182.99748	4.2
187.99400	1.6
195.01929	1.4
199.50044	2.1
201.00890	9.0
201.02509	3.8
201.32381	1.2
202.02609	2.4
202.05632	1.4
207.01498	1.6
211.00887	1.1
217.04088	11.7
219.02013	94.4
219.94417	2.1
220.02103	10.5
221.02022	1.7
225.00740	2.1
234.00740	2.2
242.03659	1.9
243.01961	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
50.24997	1.3
53.03947	4.8
55.01873	4.0
55.05264	2.1
55.05517	33.0
56.96566	4.9
57.03437	5.2
57.07082	3.5
57.55896	1.1
59.04999	2.5
65.03947	2.3
67.05508	23.3
69.03432	4.7
69.07077	13.5
70.85381	2.0
70.85696	1.5
71.05001	7.0
73.06520	1.7
75.43537	1.4
76.98534	1.4
79.05501	24.1
81.03426	100.0
81.06590	1.5
81.07065	30.3
83.04989	32.1
83.08625	38.6
85.00000	1.5
85.02918	3.7
85.06546	4.0
91.05050	0.9
91.05489	27.8
93.07044	14.5
95.04977	38.4
95.08612	12.6
97.02876	3.2
97.06538	5.5
97.10172	6.4
98.97580	1.6
99.04461	8.8
99.08128	1.3
101.95045	4.0
103.19569	1.1
105.03413	4.6
105.07053	18.9
107.04962	7.3
107.08612	11.6
107.82389	1.2
109.06516	10.6
109.10170	4.4
111.04471	3.1
111.08103	14.2
115.05456	2.5
119.04926	1.8
119.08595	16.1
119.96093	2.2
121.06546	2.4
121.10133	8.4
123.08080	7.8
123.11741	3.1
125.05988	2.0
125.09641	4.1
129.07039	9.8
131.08580	10.7
133.06526	4.2
133.10150	9.5
135.07988	1.6
135.11752	1.5
137.06038	1.6
137.09660	2.5
137.13205	1.6
137.97043	1.5
141.07031	2.4
142.07742	1.9
143.07062	1.9
145.10228	2.1
147.04398	2.0
147.08035	3.6
147.11707	14.3
149.09644	7.2
150.05472	1.3
151.07510	1.7
151.11229	1.8
157.10173	12.1
160.98694	2.2
161.13231	1.6
165.07094	1.4
165.09146	1.4
165.12802	6.6
167.10777	2.0
169.10123	1.9
175.11186	17.5
181.06482	2.0
181.10088	1.4
183.11717	1.7
183.13887	1.8
190.02037	1.9
193.12259	44.6
207.06529	2.8
207.11971	1.8
207.13814	4.7
225.05522	3.6
225.09198	12.6
225.12741	3.7
225.14886	9.1
225.16783	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03941	8.7
55.01868	9.0
55.05506	24.0
56.96563	5.7
57.03436	9.1
57.07071	5.9
59.04999	13.7
61.02928	11.9
62.79433	5.0
65.03947	7.3
67.05508	42.6
67.79218	6.6
69.03431	32.8
69.07073	36.0
70.17372	24.0
71.04996	91.7
79.05501	27.8
81.03421	8.4
81.07058	62.1
83.04997	51.3
83.08619	13.6
85.02902	15.2
85.06532	12.7
91.05489	35.6
93.07039	37.2
95.04972	25.8
95.08617	45.7
97.06538	41.2
98.21420	7.0
98.97594	12.8
99.04461	62.7
99.08102	40.5
105.03391	10.9
105.07020	55.1
107.04942	13.9
107.08593	49.5
109.06531	69.6
109.10176	19.9
111.08089	23.0
115.07571	8.0
119.08575	43.0
121.06537	11.3
121.10143	69.2
122.07284	11.0
123.04441	14.5
123.08076	79.9
123.11720	23.3
125.05930	6.3
125.09627	13.7
127.07574	35.7
131.08546	6.3
133.06468	9.2
133.10138	58.0
135.08066	7.1
135.11670	9.2
137.05930	13.6
137.09621	47.4
137.13223	10.0
139.11220	8.9
143.08597	7.3
147.08066	13.5
147.11696	37.0
149.09633	49.3
151.07581	11.8
151.11154	12.8
155.08545	7.5
155.10664	14.3
156.09288	11.7
159.11752	6.3
161.09682	10.8
161.13252	24.5
163.11259	7.2
165.07005	6.3
165.09232	7.2
165.12775	14.3
167.07045	10.5
167.10664	18.2
171.11690	17.9
174.10370	15.7
179.08463	12.1
179.14340	28.3
181.06563	6.9
181.09978	6.7
182.07271	7.4
182.99490	6.6
183.13728	18.0
189.12755	26.1
191.08543	10.5
192.09332	23.8
193.04944	6.4
195.08138	21.6
197.09578	12.2
207.06459	12.5
207.11707	20.6
207.13806	61.4
210.10371	35.1
225.09346	29.2
225.12743	100.0
225.14877	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05513	4.8
57.03435	1.2
57.07063	2.3
59.02466	0.9
59.04985	1.2
67.05489	2.0
67.47489	1.0
69.03416	1.6
69.07053	2.2
70.14172	4.2
71.04999	37.6
78.03934	0.9
79.05479	4.3
81.03406	1.2
81.07067	6.2
83.04974	3.9
83.08625	6.9
85.02889	1.8
85.06538	1.9
85.77918	1.0
91.05492	3.0
93.07028	2.3
95.04943	1.2
95.08599	7.0
97.06528	9.0
98.97555	1.7
99.04458	100.0
99.08109	1.4
105.07042	4.7
107.08602	30.9
109.06521	20.7
109.10120	2.1
113.09631	3.5
119.08579	3.8
121.10155	12.8
123.08080	14.4
123.11711	14.6
125.05997	1.4
125.09669	6.3
127.07560	1.0
131.08580	1.1
133.10097	0.9
135.07988	1.1
137.09659	1.8
137.13271	1.9
139.11147	2.5
141.12712	1.9
147.11659	5.3
149.09619	11.7
161.13258	2.1
165.12770	10.3
167.10672	21.5
179.14323	2.6
183.13823	29.9
189.12727	2.5
207.13858	5.5
225.09079	3.2
225.12810	1.7
225.14835	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	225.1488
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03952	1.5
55.05516	4.9
56.96563	2.1
57.03437	2.2
57.07067	2.6
61.60133	1.0
67.05507	4.0
69.03422	2.2
69.07056	2.3
70.93653	2.2
71.04998	36.5
72.14722	1.1
73.43037	1.1
74.29701	1.0
74.33757	1.1
79.05494	5.9
81.03423	2.2
81.07063	8.3
83.04987	4.7
83.08633	7.5
85.02911	2.7
85.06555	2.0
86.09712	1.1
90.60717	0.9
91.05489	8.7
93.07056	4.3
95.04981	3.4
95.08616	8.6
97.06535	4.0
98.97598	3.8
99.04462	100.0
99.08111	1.8
105.03364	2.1
105.04527	1.1
105.07027	6.0
107.04996	1.6
107.07863	2.0
107.08601	36.0
109.06529	25.5
109.10144	1.7
111.04491	1.6
111.08086	1.7
113.09660	3.3
115.07595	1.0
116.98633	1.7
119.04940	4.8
119.08594	6.9
121.10161	22.1
123.08075	19.1
123.11713	12.0
125.05996	5.6
125.09633	7.4
127.07578	2.3
130.94313	1.1
131.08559	3.0
133.10161	1.8
135.11697	1.0
137.09619	2.1
137.13274	1.3
139.11232	1.9
141.12730	2.8
146.04796	1.0
147.04437	5.5
147.11679	5.0
149.09637	9.4
151.07480	2.5
153.05527	1.6
161.13275	3.4
163.11186	6.2
165.05554	1.3
165.09172	1.2
165.12804	9.3
167.10695	23.2
170.03307	1.5
175.02495	1.6
175.03882	7.5
179.07016	1.7
179.14287	4.2
181.12303	2.4
183.13821	28.8
189.12808	5.6
192.04112	1.8
193.04959	2.7
207.06552	10.1
207.13808	7.5
219.01895	1.8
225.09183	1.5
225.14873	14.7
226.07677	1.6
243.28059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03945	3.4
53.16276	1.9
55.01872	4.6
55.05508	9.6
55.46544	2.1
56.96572	10.8
57.03436	4.5
57.07071	5.3
59.05000	4.8
59.07063	1.8
61.02922	5.5
65.03929	4.7
66.79793	2.0
67.05240	1.6
67.05513	20.8
69.03440	12.7
69.07054	8.7
70.71461	2.5
71.00210	2.5
71.04989	11.4
79.05516	12.7
81.03415	3.6
81.07063	37.2
81.91589	1.9
82.41493	2.0
83.04967	8.8
83.08614	4.1
84.97484	2.5
85.02911	100.0
85.06522	6.0
86.09702	3.9
91.05490	15.8
93.07045	12.7
95.04967	13.4
95.08068	3.0
95.08622	39.7
97.02901	4.9
97.06529	5.7
97.10177	2.4
98.97570	8.8
99.04479	16.7
103.05431	3.0
105.03406	7.1
105.07034	20.9
107.04948	7.4
107.08601	20.7
109.02867	2.6
109.06543	13.0
109.10166	18.8
111.04431	2.8
111.08065	3.7
113.05982	2.3
116.98618	3.9
119.04929	4.3
119.08582	20.8
121.06519	2.1
121.10147	19.2
122.07220	2.2
123.04429	5.5
123.08079	25.9
123.11716	74.0
125.06017	10.2
125.09637	6.6
127.07570	3.6
131.08528	5.1
133.02876	3.3
133.06528	2.7
133.10138	9.2
135.08035	2.4
135.11642	4.4
137.05940	7.5
137.09624	11.1
139.07559	2.3
139.11188	3.4
141.06975	3.0
143.08513	2.3
145.10107	3.5
147.04434	5.6
147.08009	4.7
147.11678	13.0
149.09637	22.2
151.03915	2.1
151.07542	9.6
151.11197	3.4
151.14821	2.3
153.05560	3.5
153.06935	1.9
155.08519	3.5
156.09315	1.8
161.09648	3.4
161.13278	9.9
162.05251	2.6
163.11192	6.2
165.05479	6.3
165.06941	3.5
165.09099	7.1
165.12749	7.7
167.07010	7.1
167.08392	2.0
167.10637	6.7
169.10138	6.4
169.95949	1.9
171.11662	3.0
175.03909	4.8
175.07510	1.8
178.07759	2.7
179.07047	4.7
179.08496	4.5
179.14316	3.3
180.04172	2.4
182.07294	4.9
183.11694	4.0
183.13770	6.0
189.12753	14.7
192.04179	3.5
192.09332	4.7
193.05022	3.4
195.08090	5.2
197.09702	5.3
198.12527	2.1
207.06525	6.1
207.08324	3.0
207.11855	3.7
207.13788	30.2
210.05141	5.5
210.10284	3.4
217.01904	1.9
225.03819	2.4
225.05717	2.7
225.07327	4.9
225.09410	13.9
225.12747	13.9
225.14854	18.4
225.16653	4.8
225.19496	3.4
226.09958	2.8
229.84283	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03930	1.6
55.01869	1.4
55.05515	8.6
56.96568	3.0
57.07080	1.7
59.05003	2.2
65.03944	0.9
67.05520	7.5
67.18836	0.9
69.03429	4.7
69.07075	6.6
71.01348	1.5
71.05000	43.9
71.08640	1.5
71.26924	1.9
79.05506	7.4
81.03418	2.5
81.07065	13.2
83.04987	6.0
83.08624	8.5
85.02920	6.0
85.06569	2.6
91.05492	7.8
93.07060	5.4
95.04987	5.1
95.08616	12.5
97.02908	1.8
97.06548	8.2
98.97576	2.1
99.04466	100.0
99.08086	2.8
105.03397	2.0
105.07024	9.5
107.04961	1.9
107.08609	33.2
109.06532	28.3
109.10168	6.1
111.08082	2.3
113.09660	3.8
117.07084	1.5
118.04240	1.0
119.04957	3.5
119.08587	8.1
121.06499	1.4
121.10158	19.1
121.29539	0.9
123.04456	4.4
123.08087	19.7
123.11716	16.6
125.06006	3.4
125.09651	9.8
127.07574	3.0
131.08571	1.9
133.10136	6.5
135.11722	1.6
136.05247	1.1
137.05991	2.2
137.09637	5.5
137.13220	3.6
139.11208	3.9
141.09160	2.5
141.12759	1.8
143.08636	1.3
145.10138	1.3
147.04417	4.3
147.08043	1.8
147.11713	9.4
149.09628	12.7
151.07565	2.6
153.05457	1.3
155.08557	1.2
155.10664	1.4
156.09355	1.2
161.09669	1.8
161.13292	3.6
163.11160	2.9
165.09132	3.7
165.12752	10.0
167.07002	3.1
167.10707	23.1
171.11761	1.4
174.10461	1.7
175.03943	4.2
179.07086	1.6
179.08516	1.5
179.14378	3.3
180.04285	1.7
182.07167	1.4
183.13826	32.5
185.45782	0.9
189.12794	5.5
191.08627	1.1
192.09343	2.7
193.04941	1.2
195.08195	1.7
197.09563	1.1
201.00681	1.4
201.35841	1.0
207.06529	4.0
207.11877	2.2
207.13835	8.0
210.10370	2.5
225.09189	3.5
225.12755	7.9
225.14888	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	226.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86042	0.7
51.22794	0.8
54.06060	0.9
55.05271	1.2
55.05516	14.4
56.08355	0.7
58.41619	0.8
71.44102	1.3
83.08618	8.0
83.86022	0.7
85.83116	0.8
95.27578	0.8
100.11265	100.0
110.06004	0.8
117.13922	0.8
122.30508	0.8
139.08633	0.9
156.79279	0.8
209.16499	19.9
227.17555	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03940	1.9
54.81854	0.7
55.01883	5.9
56.96556	1.3
57.30381	0.8
61.23808	0.7
65.03943	5.8
67.05499	2.9
69.03429	2.0
70.98933	1.5
73.02926	37.0
76.92045	0.8
79.05481	1.6
80.78319	0.8
82.04190	2.9
85.02917	5.8
86.09732	0.7
86.30088	0.7
91.05467	1.6
93.03397	2.1
93.07041	1.1
94.09903	0.9
95.04971	6.6
97.02919	1.2
97.06543	0.9
98.97583	2.0
100.11289	1.5
105.03393	2.7
108.02112	1.5
110.03667	3.7
111.04398	1.0
121.06499	1.7
123.04448	8.7
125.02354	2.9
125.05989	3.2
126.50956	0.8
138.03148	2.0
140.04700	52.5
142.02617	2.3
144.10736	0.8
149.05989	1.0
153.05484	5.0
155.07047	57.8
156.07225	1.0
166.06291	0.9
167.07024	2.3
171.06546	3.7
173.08124	2.4
178.03175	0.8
179.07042	2.4
181.04974	100.0
181.08560	3.8
182.05243	0.9
190.64873	0.8
209.08096	18.0
215.06580	1.5
227.09155	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.08907	0.6
52.53265	0.6
53.03941	1.7
55.01883	6.8
55.05506	1.0
57.07074	1.5
65.03957	6.8
67.05515	8.3
69.03410	1.4
69.07059	2.0
69.80611	2.0
69.81015	1.1
71.05010	3.8
73.02927	35.6
79.05502	6.9
81.03411	0.8
81.07068	1.8
82.04196	2.4
83.04990	1.5
85.02925	4.1
85.06553	22.1
86.09719	1.5
91.05484	5.3
93.03434	3.0
93.07051	6.6
95.04979	5.9
95.08629	0.8
97.02914	0.7
97.06534	3.8
98.97588	0.8
99.08102	0.7
103.05448	1.1
104.03763	0.6
105.04491	0.7
105.07044	4.8
107.04967	3.9
107.08611	6.1
108.02075	1.1
109.06531	1.4
110.03677	3.7
111.04455	4.5
117.07045	1.7
117.96519	0.6
119.08578	3.2
121.06524	4.0
121.10150	5.6
123.04432	10.3
125.02370	2.7
125.06020	3.4
129.07031	1.6
131.08588	13.8
135.11729	1.3
137.09631	0.9
138.03143	2.5
139.03923	0.8
140.04698	48.6
141.05028	0.7
142.02631	2.6
145.10165	6.1
147.08105	0.8
149.05928	1.5
149.09642	14.1
153.05515	3.2
155.07047	58.8
156.07373	1.2
163.07524	0.7
163.11215	5.9
165.09120	2.3
167.07065	2.1
167.10698	7.0
171.06566	3.9
173.08092	2.3
173.09566	1.3
179.07040	3.3
181.04973	100.0
191.10692	14.2
193.34448	0.7
209.08131	18.0
209.11726	12.1
227.09166	13.4
227.12630	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	227.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
55.05516	23.6
56.96560	11.8
57.03425	5.1
60.41394	1.5
65.03912	2.0
66.84527	1.9
67.05511	14.3
68.99799	8.9
69.03428	5.9
69.07060	8.2
69.83944	9.0
70.06578	2.6
71.04993	3.9
73.02900	5.5
79.05493	12.7
81.07066	23.4
83.04961	4.5
83.08145	2.9
83.08621	41.7
85.02898	2.4
85.06530	7.7
85.10178	4.9
91.05485	38.6
93.07054	19.7
95.04979	33.6
95.08611	7.1
97.02886	2.2
97.06495	2.9
97.10196	3.2
98.20757	2.1
98.97587	7.4
99.04439	3.1
99.08060	3.1
100.11259	29.9
101.02365	8.7
103.05462	2.8
105.07030	8.6
107.04965	5.1
107.08598	53.5
109.06528	32.9
109.10163	14.1
110.97340	1.8
111.04439	3.5
111.08089	100.0
116.98634	4.0
117.06975	2.9
118.60861	1.7
119.03409	6.4
119.08569	5.0
121.06515	5.2
121.10136	6.3
123.04412	4.3
123.08026	2.6
125.05983	2.2
125.09637	20.8
127.07547	4.3
128.06239	4.4
129.07013	3.1
131.04941	4.2
131.08577	6.8
135.08067	16.3
135.11661	5.0
137.05986	10.0
140.04709	10.2
141.07074	1.9
141.09097	1.8
143.08614	5.8
145.10127	5.0
147.08092	2.4
149.05997	5.6
149.09647	11.9
151.07568	5.4
153.07097	3.6
153.09113	55.4
153.12715	2.6
155.07048	15.2
155.08163	2.9
157.10181	3.6
158.99539	2.3
163.11189	4.3
167.07068	26.7
167.10695	5.7
169.08611	72.7
171.08044	7.2
171.11647	3.1
177.05447	10.2
181.04950	13.7
181.06403	3.5
181.09967	2.5
181.12177	2.0
185.09724	2.0
185.10251	2.2
185.11725	17.2
185.13264	3.0
191.10579	2.7
195.10188	52.2
199.11110	2.6
209.08067	5.5
209.09799	3.7
209.11740	5.8
209.16672	2.9
227.07101	14.4
227.10887	17.2
227.12791	5.7
227.14377	6.0
227.17796	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	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03952	1.7
55.01870	2.9
55.05503	3.5
57.07073	6.0
59.62368	1.6
65.03942	2.4
67.05180	1.6
67.05512	29.2
69.07056	5.6
71.04996	16.6
71.07557	2.5
79.05503	29.9
81.07056	6.1
83.04977	8.7
85.06552	100.0
91.05492	23.2
93.07047	26.0
95.04969	6.4
95.08596	2.3
97.06548	5.3
99.08109	5.1
105.07035	19.8
107.04967	15.1
107.08606	27.6
109.06532	4.3
111.04456	12.8
117.07006	6.7
119.08598	15.8
121.06526	15.4
121.10166	21.1
123.04451	2.7
123.08112	1.9
125.05997	6.2
129.07007	6.0
131.07585	3.6
131.08580	66.1
133.10127	2.5
135.08101	2.6
135.11725	7.2
137.06082	1.7
137.09641	6.0
139.07574	1.8
145.06500	2.6
145.10135	31.5
147.08087	7.5
149.05957	3.2
149.09636	69.7
151.07561	2.1
153.05458	3.9
155.07065	3.6
163.07587	2.8
163.11208	24.3
165.09135	10.7
167.07051	3.9
167.10696	34.1
173.09604	6.6
191.10699	54.4
197.11829	2.2
209.11755	58.0
224.65775	1.7
227.10750	2.8
227.12779	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	227.128
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03928	3.5
53.34665	2.5
55.01867	8.9
55.05313	2.2
55.05513	23.5
56.96548	5.2
57.03425	3.8
63.53752	2.0
65.03921	3.6
67.05510	29.7
69.03432	2.2
69.07056	14.1
70.86192	3.7
70.86518	2.7
71.04966	5.1
73.02912	3.7
79.05503	39.8
81.03413	5.5
81.07060	30.7
83.04971	5.7
83.08635	18.8
85.06570	5.3
91.05497	21.0
93.07055	48.4
95.04962	10.3
95.08616	53.6
97.02882	2.8
97.06540	6.4
97.10213	4.2
99.04449	7.0
100.11253	12.5
103.05483	3.9
105.07051	13.0
107.04958	17.4
107.08601	33.5
109.10146	7.7
111.04444	4.2
111.08070	2.9
117.07015	13.5
119.08575	10.5
121.06534	12.7
121.10143	19.2
123.04401	3.3
125.05997	4.9
125.09625	4.9
128.06235	3.5
130.07805	5.3
131.08597	5.4
133.10089	4.6
135.08102	2.6
135.11707	66.2
139.11131	2.2
143.08566	5.2
145.10155	35.6
147.08110	2.3
149.05992	2.6
153.07028	2.5
155.06979	2.3
163.11209	89.6
167.07074	26.5
171.08064	6.5
177.05449	8.0
181.04967	4.1
181.12224	22.9
202.24023	2.3
209.11688	3.0
227.06982	9.2
227.10658	9.9
227.12766	100.0
227.17682	5.3
228.17474	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	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.00331	1.1
53.03939	3.1
55.01870	8.5
55.05525	8.4
55.05740	1.9
56.96587	6.6
57.03425	2.4
57.07074	9.0
58.63017	1.3
60.25094	1.2
64.15380	1.2
65.03954	8.0
65.04234	1.3
67.05514	26.9
69.03426	4.2
69.07076	8.1
70.06567	2.4
70.93026	2.7
71.04652	1.6
71.05003	22.4
73.02924	24.2
77.03914	1.9
79.05067	2.0
79.05499	33.7
81.03397	2.4
81.07069	8.6
82.04182	1.7
83.04986	7.4
83.08591	1.7
85.02898	4.9
85.06551	100.0
86.09707	11.6
91.05490	23.7
93.03409	3.1
93.07045	25.3
95.04992	13.3
95.08603	3.5
97.02914	2.6
97.06542	5.4
97.10177	1.8
98.97576	5.0
99.04461	2.9
99.08098	5.7
100.11268	9.5
103.05456	2.6
105.04440	2.4
105.07035	20.8
107.04974	14.8
107.08597	33.9
109.06523	7.3
110.03659	2.2
111.04439	15.2
113.05978	1.3
117.07030	7.0
119.04958	3.6
119.08590	16.1
120.46873	1.4
121.06526	15.7
121.09315	2.3
121.10151	25.5
123.04418	5.9
125.06005	8.8
129.06990	6.7
131.08577	63.8
133.06500	1.6
133.10136	3.5
135.08066	1.9
135.11711	6.3
137.05974	3.7
137.09621	7.0
139.07581	1.5
140.04694	33.4
141.05511	1.9
143.08621	1.5
145.03438	1.7
145.10141	27.5
147.04384	2.7
147.08041	5.9
149.05980	5.0
149.09631	63.8
153.05473	7.3
153.07005	1.2
153.08928	1.9
155.07050	37.8
155.08356	1.5
159.05019	1.9
163.07610	2.2
163.11195	20.6
165.09131	13.9
165.12721	1.7
167.07072	9.0
167.10680	32.3
171.06573	3.1
173.08272	1.3
173.09639	6.7
173.12973	1.4
177.00681	1.4
177.05453	4.3
177.64014	1.8
179.07047	1.8
181.04971	63.4
181.08528	3.8
191.10690	61.3
197.11752	2.1
200.63466	1.4
209.08209	12.0
209.11737	52.3
226.57991	1.3
227.07077	2.6
227.08978	7.6
227.12697	21.2
227.17723	2.4
248.92165	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05519	11.5
57.03427	6.5
57.07076	5.6
59.04994	2.9
67.05505	7.7
69.03423	3.2
69.07072	12.4
71.04999	30.4
71.21209	4.6
73.06548	3.7
78.88031	2.0
79.05497	9.1
81.07055	16.9
82.06590	2.2
83.04978	4.7
83.08612	9.7
85.06550	11.4
91.05489	8.0
93.07052	27.7
95.04364	4.8
95.04976	100.0
95.08624	14.1
97.06523	18.2
97.10179	3.3
99.04477	11.0
99.08105	41.9
100.11268	17.8
104.72266	2.2
105.07042	13.1
107.08606	29.4
109.06520	19.9
109.10175	12.9
111.08080	7.5
113.05998	2.2
113.09621	4.2
114.76636	1.7
115.07591	7.9
119.08580	9.4
121.06496	2.4
121.10161	27.7
123.08112	5.0
123.11712	7.6
125.09657	14.9
127.07573	15.5
129.06990	2.2
131.08580	6.2
133.10144	39.3
135.08049	5.6
135.11711	10.2
137.09618	6.6
139.11176	13.7
141.11519	5.1
143.10716	11.1
145.10155	3.8
147.08061	3.8
147.11684	6.9
149.09697	2.1
149.13261	10.8
151.11176	5.1
153.09111	29.9
154.12241	2.0
155.07036	2.3
163.14848	5.1
163.64359	2.7
167.07043	5.5
171.10167	22.1
171.11514	3.4
173.13309	13.7
179.19920	2.1
182.15443	2.9
191.14337	12.9
209.15282	14.8
210.14902	2.7
213.17854	5.1
227.10634	6.9
227.14359	3.6
227.16379	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03942	2.4
54.19422	1.2
55.01868	1.5
55.05520	11.0
56.96552	2.6
57.03431	4.7
57.07082	6.4
59.05010	5.8
65.03931	3.1
67.05499	9.0
69.03438	5.7
69.06729	1.3
69.07075	19.4
70.06569	1.2
71.04652	1.6
71.05002	26.2
71.34866	2.6
73.02917	4.6
73.06548	3.1
79.05500	9.4
81.03420	1.3
81.06644	1.4
81.07070	16.3
83.05005	6.7
83.08631	10.4
85.02884	2.1
85.06556	11.6
86.09691	5.3
91.05488	8.6
93.07053	22.8
95.04979	100.0
95.08615	16.9
97.05982	1.8
97.06541	18.7
97.10182	7.4
98.97581	3.5
99.04494	10.9
99.08099	34.5
100.11271	11.1
105.07037	8.9
107.08605	25.4
109.06542	18.7
109.10152	12.6
111.08104	9.5
113.06026	2.1
113.09644	3.7
115.05427	1.4
115.07580	10.0
119.08591	10.1
121.06489	3.3
121.09316	2.4
121.10149	31.1
123.08072	4.2
123.11731	7.3
125.05987	1.7
125.09640	16.9
125.13280	1.7
127.07564	16.9
130.72252	1.4
131.08574	7.8
133.10139	33.2
135.08081	6.1
135.11684	10.1
137.06071	1.2
137.09599	7.3
139.11195	14.7
140.04698	7.4
143.01875	1.7
143.10643	11.5
145.10123	3.3
147.11703	7.1
149.05977	1.4
149.09630	3.2
149.13272	12.0
151.11174	6.1
153.09119	31.0
155.07077	7.4
158.10899	1.8
158.99736	1.1
163.14832	6.5
165.12746	2.2
167.07025	5.5
167.10666	2.1
167.14333	2.6
171.10176	22.6
173.13287	15.6
177.05461	2.4
181.04973	10.0
191.14371	12.7
209.08165	3.0
209.15308	17.6
227.10699	2.4
227.16399	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0867
Annotation	L-Arogenate
Peak:m/z	Relative Intensity
53.03946	2.8
55.01864	0.9
55.05515	2.3
57.03431	2.2
64.09849	0.7
68.05025	2.3
69.03427	0.9
69.17625	7.2
70.06597	27.3
71.04997	15.7
71.06934	0.8
72.08161	10.2
80.04987	0.9
81.03419	4.3
82.06590	2.3
84.04509	2.2
85.02914	12.5
87.04449	0.9
88.76117	0.7
93.07040	1.2
94.06596	2.1
95.01333	1.4
96.04501	10.4
98.06068	5.6
98.21620	1.1
99.04463	39.1
100.02516	1.1
101.00916	1.5
102.05550	0.9
107.07326	1.6
108.08142	4.5
110.06065	4.1
110.09684	1.0
111.86118	0.6
113.02357	0.7
118.06555	2.5
119.01911	2.7
119.30779	0.6
120.08121	1.3
122.05985	1.1
124.78583	0.6
128.69714	0.8
130.04994	8.3
131.03407	2.3
136.07608	4.9
144.99876	0.6
146.06012	1.9
154.08632	2.1
156.03209	1.1
156.10213	1.0
164.07051	1.6
182.08139	100.0
183.08466	1.9
184.09703	28.8
184.11363	1.6
186.04445	1.1
187.00980	0.8
196.00935	1.6
196.75964	0.8
210.07657	2.0
228.08670	47.5
229.09076	0.9
229.11688	0.7
229.15463	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	228.1749
Annotation	erythrinan
Peak:m/z	Relative Intensity
55.05499	0.5
56.96548	0.8
61.00547	0.2
67.05486	0.7
69.07077	1.3
69.29778	1.6
70.06586	0.3
73.15015	0.2
79.05506	0.3
81.03391	0.2
81.07027	0.3
83.08614	0.2
91.05457	0.3
95.08596	0.2
98.97591	1.1
99.04449	0.3
109.10125	0.4
116.98623	0.5
128.98578	0.3
145.10135	0.3
156.08141	1.4
157.23851	0.2
158.09669	0.5
158.99585	0.2
163.81714	0.2
170.09596	1.2
171.10434	1.7
172.11177	0.3
173.01236	0.3
182.08026	0.6
184.11224	1.3
185.11995	1.0
186.09024	0.3
186.12703	0.3
191.02280	0.2
195.09518	0.2
196.11197	0.2
198.12796	2.5
199.13470	0.3
210.11287	0.4
212.14355	30.5
213.15083	3.9
226.15881	0.3
228.17488	100.0
229.08615	0.4
229.17863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05521	9.8
57.03446	17.2
57.07089	1.4
59.05004	5.3
61.29115	0.6
65.03947	1.8
67.05512	100.0
69.03426	0.7
69.07085	2.1
69.86723	3.2
71.05007	3.1
79.05491	2.0
81.07069	13.3
83.08628	6.9
85.06580	4.0
91.05494	5.4
93.07050	2.6
95.08627	5.5
105.07004	0.9
107.08591	1.7
109.10168	86.5
110.10503	0.7
111.08122	3.3
119.08593	5.4
137.09663	4.0
155.10689	6.4
173.11757	22.1
229.12108	1.1
229.14355	23.3
229.23489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03946	0.8
53.62009	0.5
55.05515	9.4
57.03441	18.2
57.07080	1.4
59.05005	5.9
60.04519	0.5
65.03952	1.5
67.05508	100.0
68.05846	0.7
69.03420	1.4
69.07075	2.1
69.94772	2.3
70.06596	0.7
71.05001	4.2
79.05486	1.8
81.07063	14.7
83.08622	6.9
85.02959	0.6
85.06580	2.6
91.05489	5.5
93.07054	2.6
95.04933	0.6
95.08612	6.4
98.06049	0.8
98.20840	1.0
99.08106	1.1
105.07032	0.8
105.86201	0.5
107.08591	2.2
109.10162	86.0
110.10490	1.2
110.70348	0.5
111.08080	3.1
117.07056	0.6
119.08591	4.9
122.87917	0.6
137.09645	5.1
139.27525	0.6
155.08568	0.7
155.10689	4.9
157.10107	0.7
168.07663	0.6
173.11755	23.8
176.74736	0.6
179.10611	0.6
183.11545	0.6
229.08424	1.3
229.12201	1.5
229.14322	24.4
229.19510	1.0
229.23357	1.8
230.14766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.1
57.03187	1.6
57.03444	17.6
57.07064	1.5
58.14079	1.2
59.05004	6.6
60.37201	1.0
61.75442	1.1
62.63095	1.0
65.03937	1.8
67.05512	100.0
68.05011	1.1
69.03439	1.9
69.07069	1.7
69.70934	4.4
69.71350	1.6
71.04997	4.2
74.74223	1.0
79.05498	2.5
81.07064	14.7
82.06570	1.2
83.08640	6.6
85.06540	2.9
91.05489	7.0
93.07056	4.6
95.08617	6.4
98.06065	1.3
107.08601	3.5
109.10167	94.1
111.08084	3.3
119.08607	7.6
119.09323	1.2
129.52541	1.0
131.08508	1.3
137.09656	4.4
145.10054	1.3
147.06682	2.1
155.10674	5.9
173.11766	26.0
173.13184	2.4
229.08562	2.6
229.12102	4.4
229.14296	25.6
229.16499	2.1
229.19456	2.2
229.23492	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	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01869	0.5
56.96571	3.9
57.03426	0.4
58.06340	0.4
58.06604	6.4
59.07374	1.4
60.08168	7.5
68.05006	1.1
69.03432	0.5
69.86333	1.9
70.06593	35.8
71.04967	0.6
71.06933	0.6
72.08153	1.3
73.02897	0.5
82.99845	0.6
84.04482	0.9
84.08138	0.7
85.02896	1.1
86.09711	0.4
96.08141	2.1
96.08688	0.5
97.02908	0.4
98.06062	0.7
98.97584	5.0
99.04439	0.9
100.04797	0.5
101.00884	5.8
110.97572	0.4
113.00870	0.7
114.05518	4.3
114.09211	1.6
116.07068	1.0
116.98637	2.2
119.01916	9.7
122.60197	0.4
124.07619	3.6
124.13346	0.4
126.09165	0.7
126.98746	0.4
128.98650	0.5
131.01872	1.6
133.03426	1.1
134.99654	1.1
137.02907	1.1
142.08641	31.1
144.99820	0.6
157.03508	0.5
160.02119	0.5
161.02950	0.6
168.99776	1.3
170.08218	1.7
172.99358	0.5
175.02725	0.6
175.04529	0.6
182.08209	0.4
183.08467	2.9
184.03159	0.4
184.09657	0.6
185.09979	1.0
187.00906	2.4
187.02524	0.6
187.04576	0.4
189.04314	0.5
196.99292	0.5
205.01913	0.5
206.07037	0.6
215.00369	1.7
220.00613	0.4
224.08061	0.8
229.15477	100.0
230.15810	1.5
248.08142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93260	0.4
55.05516	17.0
56.05021	0.5
56.96567	0.8
57.03447	2.5
58.41161	0.3
58.98503	0.4
59.05007	5.7
70.06601	1.6
71.15745	0.6
71.16068	0.5
72.08164	17.9
72.84969	0.5
73.06569	2.7
73.08500	0.6
83.04996	2.4
84.04521	5.1
84.08139	1.2
85.02427	0.6
85.02911	8.7
86.09719	0.5
87.04465	0.5
94.06577	1.6
95.01292	0.6
97.06554	0.5
97.49340	0.5
98.06070	2.1
98.97574	1.7
101.06036	3.0
102.05542	2.3
110.09726	0.4
112.03967	0.6
130.05017	7.5
138.09161	1.0
138.11070	0.5
140.10686	0.6
149.56139	0.4
154.08563	0.5
156.03372	0.4
156.10228	1.0
184.09711	100.0
185.10031	1.1
188.04950	0.5
191.18439	0.4
202.10738	0.9
203.37958	0.4
204.05444	0.5
230.10260	34.8
231.10634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08359	0.7
55.01882	9.7
55.05510	2.3
56.05045	0.8
56.57998	0.6
56.96576	4.6
57.03445	1.1
57.07090	3.4
65.03938	1.0
67.05510	14.4
69.03439	6.2
69.07070	2.6
70.06590	4.0
71.04996	3.7
71.54086	0.8
71.54542	0.8
72.04520	4.1
72.08163	2.3
73.02924	17.3
73.68713	0.8
74.02447	3.2
79.05489	0.9
81.03413	2.7
83.04977	2.0
84.04521	1.7
84.08153	100.0
85.02916	3.0
85.06563	3.9
85.08499	0.9
86.06088	2.0
86.09723	4.2
86.97580	0.8
87.00852	1.1
87.04493	1.4
87.77036	0.7
91.05496	0.9
93.07059	1.1
94.43665	0.7
95.04985	16.1
95.08618	1.3
97.02907	2.8
98.06069	2.4
98.97600	4.2
100.03995	26.1
100.04653	1.4
101.02390	37.6
105.03444	0.9
105.34792	0.7
109.02916	1.2
109.06514	0.6
110.06037	0.9
110.07183	0.9
112.07639	1.8
113.06023	23.2
115.03963	2.6
115.05456	0.8
116.07059	0.8
116.98619	1.6
118.05069	1.8
120.08123	0.9
124.07626	2.6
127.03944	1.3
129.10257	1.1
130.08650	17.6
131.00168	1.0
138.09160	3.2
140.14363	1.0
147.04498	1.2
149.01219	1.1
150.99181	1.6
156.08051	1.1
158.99728	0.8
163.04012	1.0
166.08667	20.3
168.10252	1.0
182.08182	1.1
184.07829	1.4
184.09708	20.2
186.14903	1.1
194.08192	2.9
207.01807	1.0
212.09207	15.2
213.05702	0.7
217.07576	0.8
230.08244	1.6
230.10240	14.7
230.12213	0.8
231.06564	1.2
231.10385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1023
Annotation	N-Hydroxy-MeIQx
Peak:m/z	Relative Intensity
53.03946	0.4
55.05513	16.4
55.15610	0.3
56.05038	0.9
56.96574	0.4
57.02350	0.4
57.03448	1.8
59.05004	6.1
66.91926	0.3
68.71318	0.3
69.07045	0.4
69.86116	1.2
70.06589	0.9
72.08162	19.4
73.06562	3.0
73.08463	0.3
73.57678	0.3
83.04991	2.5
84.04509	5.4
84.08142	1.1
85.02911	7.9
86.09713	0.6
87.04456	0.4
94.06576	1.4
95.01311	0.6
97.06551	0.5
98.06091	2.0
98.97588	1.3
101.06030	3.8
101.23969	0.3
102.05563	2.1
110.09653	0.5
115.07558	0.6
116.98605	0.6
126.96289	0.3
130.05014	8.3
131.03391	0.3
138.09149	1.1
140.10724	0.4
142.04999	0.3
149.55725	0.3
154.08678	0.6
156.10185	1.5
163.02725	0.3
184.09702	100.0
185.10141	0.5
202.10719	1.0
230.10249	37.2
231.10588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	18.1
56.96571	14.7
62.92725	8.4
65.00465	7.6
69.03433	9.9
69.07088	12.8
69.65376	49.0
70.06606	65.5
70.06933	11.6
72.08171	14.9
73.04560	7.4
78.14797	8.1
81.03409	9.0
83.08447	9.2
84.04496	9.1
84.08186	20.2
84.96083	8.6
85.02924	16.1
86.09719	24.3
88.04010	29.7
93.96606	8.2
98.68386	9.0
98.97569	9.6
101.00877	19.2
103.00660	34.2
108.05405	8.3
116.07103	56.7
116.89086	9.7
119.01951	40.2
120.02110	7.5
121.01677	77.5
125.07156	12.6
130.05017	10.3
138.94092	8.7
146.99638	11.6
157.03445	16.6
161.02983	17.4
171.07675	11.5
172.09702	18.9
183.13487	8.3
185.02937	13.4
185.10091	100.0
189.00717	11.8
189.02498	12.3
196.06117	30.3
208.04584	12.1
217.00282	13.5
231.10350	34.5
231.15738	16.7
232.11879	15.4
241.17789	8.4
250.29088	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	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83801	10.9
56.96556	14.9
59.52904	8.6
63.51675	9.2
67.51688	8.1
69.18655	100.0
70.06602	53.7
71.63450	8.8
71.86721	8.6
72.08161	19.4
84.04527	12.3
88.03992	24.8
98.97583	10.8
101.00867	17.0
103.00632	22.1
106.97442	8.8
116.07114	46.6
119.01918	29.7
121.01669	38.5
143.01900	15.3
148.08707	9.0
161.03017	23.2
170.99654	13.0
185.10062	33.3
189.02449	14.6
196.06078	19.1
231.10292	14.4
231.16089	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
55.01876	3.6
55.05507	3.0
56.96560	1.9
57.03436	2.5
61.02929	2.6
67.05502	1.5
68.33435	0.8
68.99802	4.1
69.03436	100.0
69.07074	1.4
70.15707	0.7
70.70403	2.3
71.01337	1.1
71.05003	7.7
72.08152	1.8
73.02930	1.6
79.05511	1.5
81.03426	45.9
81.07056	1.3
83.01330	0.8
83.05000	1.6
85.02914	53.4
87.00305	1.2
87.00836	21.2
89.15375	0.9
91.05502	1.3
93.07051	2.7
95.08630	1.6
97.02901	23.0
99.04465	19.4
105.01873	2.9
105.07036	1.3
107.04954	0.9
109.02887	22.7
109.03587	1.5
109.10162	1.2
110.10472	0.8
111.00801	1.2
111.04469	1.0
115.05469	3.4
119.08591	1.8
120.29852	0.7
121.10173	1.1
123.04453	3.1
127.03927	27.6
128.06264	2.3
129.07016	2.9
131.08589	1.5
139.11272	1.0
142.07816	2.2
143.04947	1.5
143.08559	3.1
145.05006	2.5
145.10152	0.8
147.04401	2.1
157.06494	3.3
157.10179	3.0
159.08090	1.0
160.05283	1.3
161.06003	3.7
167.08597	2.7
170.07288	1.6
171.08099	3.0
173.06029	0.9
174.06845	1.5
175.03917	1.4
175.07591	3.0
175.91058	0.8
184.05171	1.0
185.06033	3.0
185.09637	3.5
185.13321	1.2
187.07559	1.1
189.05556	3.2
189.09181	2.9
195.08104	3.0
201.05539	1.8
202.06195	1.8
202.07840	1.8
203.07085	2.3
203.08749	1.0
203.10588	1.9
213.03990	2.5
213.09218	5.1
213.12679	0.9
231.02890	1.6
231.04951	2.7
231.06639	4.1
231.08215	2.5
231.10126	19.7
231.13823	2.4
231.17320	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	231.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	14.9
55.01880	2.1
55.05526	4.3
56.96561	2.4
57.03434	3.2
59.84487	0.7
61.02925	2.6
67.05505	0.8
68.43560	0.8
68.99797	3.0
69.03438	100.0
69.07058	1.1
69.69019	1.8
69.69434	2.4
70.06610	2.1
71.05003	11.0
72.08160	22.2
73.02941	1.0
74.13809	0.7
79.05511	3.9
81.03428	42.2
81.07069	10.0
83.01347	1.5
83.05013	1.4
84.08182	1.0
84.96067	2.2
85.02915	49.4
86.09732	1.8
87.00842	23.7
91.05502	1.1
97.02905	24.6
98.97588	6.3
99.04466	25.2
100.25187	0.8
101.02428	0.9
105.01891	2.9
107.04974	0.9
109.02892	19.7
109.06436	0.8
111.00845	1.0
115.05469	0.6
116.98658	1.7
119.01956	0.8
120.08120	1.1
127.03934	25.6
129.07024	1.1
131.00188	0.9
132.10222	5.8
139.09703	0.8
145.05023	2.5
147.04503	2.4
148.04779	0.8
158.99684	1.2
160.05386	0.7
171.03206	0.9
177.00705	0.9
189.04404	1.4
189.09267	0.8
199.02853	0.9
200.07076	1.0
203.03635	0.8
213.03979	4.9
231.02974	1.5
231.05136	4.9
231.10277	0.8
231.13753	1.0
249.02852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1707
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03951	0.9
55.01891	0.3
55.05518	11.1
55.05790	0.6
55.12641	0.2
56.05038	1.0
56.96577	2.1
57.05827	1.4
69.03434	3.0
69.07103	0.3
69.93436	0.3
70.00441	0.7
70.00850	0.5
70.06602	0.8
71.04996	0.5
72.08163	100.0
73.08495	0.3
80.98550	0.3
81.03435	1.4
81.07066	0.3
83.04977	0.4
84.04522	1.0
84.08153	1.9
84.96068	0.3
85.02911	2.4
86.09715	6.2
87.00849	0.5
88.27053	0.3
91.05466	0.4
96.79622	0.2
97.02914	1.1
97.06553	0.3
98.20837	0.3
98.97610	2.1
98.98463	0.3
99.04485	1.0
109.02908	0.8
111.04477	0.5
112.99171	0.3
115.05492	0.3
116.07108	0.4
116.98656	1.1
117.07490	0.3
121.02887	1.5
124.11221	0.2
127.03957	1.0
129.10313	0.5
131.00264	0.4
132.10207	3.6
134.99696	0.5
143.00175	0.4
147.04428	0.5
147.08148	0.3
157.06505	0.3
158.99731	0.3
161.01302	0.7
161.06055	0.4
175.07518	0.3
177.00757	0.4
185.03023	0.5
185.06023	0.3
185.16592	0.8
189.04369	0.5
203.07088	0.3
207.01768	0.4
231.03133	0.6
231.06781	1.2
231.11781	0.4
231.13918	0.8
231.17160	2.4
254.01138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09633	0.2
51.27980	0.2
54.66629	0.2
59.36231	0.2
60.94516	0.2
70.70262	0.3
70.70618	0.4
71.04981	1.1
82.04897	0.2
85.25735	0.2
87.34092	0.2
91.05463	0.2
93.07036	0.4
101.88244	0.2
105.07056	1.2
118.06466	0.2
119.07338	4.5
134.09668	100.0
135.09999	1.1
144.38383	0.2
194.65405	0.2
204.11934	0.3
204.13866	5.6
204.15659	0.4
232.13370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
56.96566	1.2
57.03444	4.2
57.07074	2.2
58.41092	0.4
62.91296	0.4
64.81220	0.4
69.03433	1.8
69.37144	2.1
69.37557	1.5
69.71542	0.5
70.03764	0.6
81.03398	0.9
84.04510	2.2
85.02910	46.0
85.10187	5.8
91.05500	0.8
97.02878	0.6
98.06067	1.1
98.97624	0.6
102.12824	100.0
103.03945	0.5
117.07014	0.5
119.08598	0.7
129.07050	0.6
130.04947	0.7
131.03391	1.2
131.05002	0.5
137.09596	0.8
145.99234	0.4
169.06274	0.9
172.05161	0.7
172.96846	0.4
174.06805	0.6
174.12784	0.5
175.07605	0.7
177.00700	0.4
181.42223	0.4
186.14906	61.0
187.15158	0.8
189.09084	0.6
201.07877	0.7
209.04785	0.5
210.08194	0.8
214.14330	1.5
215.07025	0.6
232.08864	0.4
232.15309	11.4
232.17104	1.6
233.08124	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	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.5
56.05026	4.0
56.96565	23.5
57.03438	6.9
58.28255	1.0
58.99867	7.0
60.04509	1.9
61.02931	9.1
63.54578	1.4
69.03415	4.9
69.07072	8.3
69.32685	11.0
70.06252	1.5
70.06601	16.8
70.99841	2.3
71.06920	1.6
72.08160	21.2
73.02895	3.7
74.06081	9.9
77.00910	2.1
81.03416	1.5
82.99847	3.5
84.04514	12.7
84.07780	1.2
84.08158	12.9
84.96009	3.8
85.02924	8.9
85.08475	3.3
86.03234	1.3
86.06078	6.8
86.09711	100.0
87.04456	4.7
89.00832	1.4
90.97294	1.1
97.02879	4.9
98.06087	1.9
98.09705	3.5
98.20695	2.5
98.23546	1.3
98.97580	14.8
99.02934	3.3
99.04420	1.4
100.11297	1.4
100.99133	2.6
101.00886	40.9
102.05543	3.4
103.00632	4.5
103.02482	7.9
104.07086	5.5
109.02907	1.7
110.07171	2.1
110.97561	6.5
113.00819	3.2
113.02388	1.6
115.02432	11.4
115.08627	1.8
116.10750	6.0
116.98639	7.8
117.04007	16.7
119.01929	66.5
120.02015	1.5
120.06590	4.6
121.01654	5.5
121.03491	1.8
122.96582	1.2
124.07612	1.4
126.03709	1.3
126.05498	1.2
127.02393	3.0
127.03923	3.4
128.98596	5.5
129.10226	2.6
130.04977	2.8
131.01895	8.9
133.03474	51.8
134.99673	2.2
135.05049	10.1
137.02951	13.4
140.04961	3.1
142.08685	1.3
143.00165	2.6
143.01907	27.6
144.98131	2.0
144.99767	1.7
145.02420	2.0
145.03470	22.7
146.99660	3.0
147.01341	5.2
147.04993	3.4
149.02948	3.9
151.04526	12.8
152.04921	1.3
157.03444	3.4
159.01462	1.6
159.05089	2.8
160.00264	1.3
160.04622	1.8
161.02956	40.4
162.07675	1.7
163.02736	3.5
163.04546	9.4
165.00766	2.2
165.02345	1.8
170.08058	2.0
171.01283	1.6
172.09621	2.5
172.97569	2.3
173.01422	1.8
173.02950	26.2
173.09998	3.6
175.04520	3.6
177.00847	1.2
179.04039	1.9
185.02895	3.2
187.00899	2.4
187.02760	3.0
187.04532	2.5
189.00806	1.7
189.02415	13.2
190.98589	4.6
191.02415	2.7
191.04013	41.6
198.07576	1.3
201.02452	1.9
203.04063	2.4
205.01947	2.3
205.03769	3.0
205.05620	1.8
207.03571	4.9
208.99698	3.7
210.02419	1.7
215.00456	1.4
215.13942	2.1
216.08702	3.7
219.01747	2.5
221.05099	1.7
233.01376	3.6
233.05011	16.4
233.08594	2.0
233.12068	7.4
233.14986	9.8
237.02783	3.6
242.17009	1.4
245.04980	1.4
251.02417	9.7
251.04607	2.4
253.38017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37146	10.0
70.27023	39.3
72.08144	26.2
82.74265	11.4
84.08136	17.5
101.00871	31.0
119.01950	51.5
143.01926	100.0
160.11008	10.5
161.02966	90.2
166.10614	12.2
208.99724	10.1
232.12885	10.4
233.04280	17.6
233.06598	16.4
241.37503	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	233.1538
Annotation	Hypacrone
Peak:m/z	Relative Intensity
50.10801	0.7
51.60478	0.7
52.87372	0.7
53.03936	2.6
55.01862	0.8
55.05530	4.0
56.23468	0.7
56.96555	1.2
57.07058	2.2
62.60749	0.7
67.05527	3.6
67.64787	0.7
69.03146	0.6
69.03437	7.4
69.07066	2.7
70.79486	0.8
70.79815	1.5
71.04973	1.0
75.09381	0.7
79.05501	46.5
81.07046	3.4
83.04972	2.4
83.08617	6.6
85.02923	1.0
85.06533	3.1
91.05495	5.7
93.06555	0.7
93.07054	5.3
93.16491	0.7
94.39310	0.7
95.04987	5.1
95.08605	3.4
97.06499	0.8
98.97583	1.1
103.05482	1.0
105.04501	0.8
105.07037	11.5
107.04965	50.7
107.08607	9.9
109.06500	2.6
111.08090	4.6
112.62203	0.9
113.05996	1.7
115.05437	0.9
117.06982	3.6
118.12975	0.7
119.08600	14.1
121.06532	2.0
121.10149	5.9
123.08060	1.8
123.11739	0.9
125.09618	2.4
129.06995	2.1
130.07796	1.5
131.08572	12.2
133.10149	8.9
135.08049	3.0
135.11707	1.2
137.09633	5.9
142.07785	2.1
143.08562	2.2
145.10138	14.9
145.11264	0.8
146.10889	1.8
147.08058	17.0
147.11694	15.1
149.09653	8.1
149.13258	3.5
153.09140	1.3
155.08626	0.9
156.09380	1.2
157.10144	5.5
158.10863	2.7
159.08002	1.8
160.08839	2.4
163.11163	4.5
171.11671	2.2
172.12465	1.2
173.13266	11.1
175.11211	20.8
182.10860	1.6
187.14809	3.2
189.12741	5.9
191.14326	61.1
192.14645	1.1
197.13274	2.8
205.15866	1.0
215.14334	7.2
233.15384	100.0
233.64864	0.7
234.15747	1.1
241.27402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03954	3.4
55.05516	3.2
56.96574	1.3
57.07078	0.8
65.03922	0.6
67.05508	1.3
69.03436	5.9
69.07069	1.2
71.05000	0.7
77.03938	0.7
79.05501	50.2
80.06261	0.4
81.00055	0.4
81.03425	0.7
81.07057	2.9
83.04984	1.5
83.08631	5.4
85.06551	0.9
91.05481	3.5
93.07065	3.8
95.04978	3.6
95.08628	1.7
97.06544	1.3
98.97590	0.5
99.55727	0.4
105.04535	1.3
105.07039	6.3
107.04967	56.7
107.08603	8.7
109.06519	1.1
111.04473	0.7
111.08076	5.4
117.07014	1.2
119.08593	5.2
121.06522	1.8
121.10159	5.5
123.08067	1.4
123.11720	0.8
125.09624	2.9
131.05043	0.4
131.08592	5.2
133.10135	5.9
135.08049	2.3
135.11700	0.6
140.73570	0.4
141.06927	0.5
142.07825	0.6
143.08580	1.2
144.09413	0.5
145.06551	1.1
145.10123	3.0
147.11690	7.6
149.06015	0.5
149.09625	7.1
149.13251	2.4
153.09109	0.7
157.10107	2.5
158.10933	1.3
159.08017	0.7
159.11714	0.6
160.08832	1.6
161.05969	0.7
161.09718	0.5
163.07690	0.6
163.14861	0.6
169.10205	0.5
171.11804	0.5
173.09656	1.4
173.13277	5.4
175.11198	9.5
178.96059	0.8
182.10995	0.7
187.07619	0.6
187.14812	0.8
189.09146	0.5
189.12756	0.6
190.07835	0.8
191.03435	0.6
191.14322	70.1
192.14662	0.8
195.54082	0.4
197.13307	1.1
205.08505	0.6
205.10245	0.7
215.06999	0.6
215.10402	0.5
215.14340	2.0
218.07310	1.7
233.09697	1.9
233.11644	2.7
233.15384	100.0
234.15689	1.9
237.45142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03941	3.6
55.01867	2.4
55.05506	4.9
57.07063	4.2
57.10623	1.1
59.04980	4.5
65.03948	2.7
66.45093	1.4
67.05514	10.8
69.03439	19.3
69.07059	5.0
70.79363	3.2
71.01334	2.2
71.04979	3.7
79.05498	41.2
81.03407	1.7
81.07068	9.8
83.02579	1.4
83.08616	4.1
85.06541	4.9
91.04906	1.1
91.05483	23.8
93.07050	16.8
95.04980	29.0
95.08618	7.7
97.06520	2.1
105.03431	1.2
105.06393	1.8
105.07042	23.5
107.04965	33.9
107.08605	20.9
109.06528	8.8
109.10142	6.4
111.04446	1.4
111.08096	3.5
113.05993	4.1
115.05431	2.3
116.06336	1.5
117.07024	7.0
119.04961	2.3
119.08592	97.8
121.06517	7.2
121.10160	18.1
123.08073	4.1
123.11688	3.1
125.09653	2.4
127.79818	1.2
128.06226	2.7
129.06993	5.2
130.07787	3.9
131.08586	21.9
133.06529	8.4
133.10138	15.0
135.04391	1.7
135.08066	5.7
135.11703	2.2
137.06032	1.2
137.09613	8.5
141.07007	2.3
142.07794	3.5
143.08540	5.1
144.09335	1.8
145.02856	1.9
145.06508	4.4
145.09042	2.1
145.10133	31.0
147.04390	3.8
147.08061	36.7
147.10632	1.9
147.11694	14.9
149.09648	13.6
149.13248	3.6
151.07614	1.1
151.11171	2.7
155.08481	2.7
156.09344	3.7
157.10130	10.4
157.66374	1.2
158.10895	4.0
159.08022	6.3
159.11707	5.8
160.08788	3.0
161.09610	2.9
161.13271	4.2
163.03958	3.6
163.11186	8.2
163.14769	3.2
167.08553	3.5
169.10088	2.0
171.11714	7.1
172.12419	2.5
173.09668	5.5
173.13266	16.3
175.07564	1.3
175.11226	16.3
177.09109	2.7
182.10983	6.9
187.11220	2.9
187.14835	11.2
189.12743	9.2
191.03441	10.5
191.14314	41.2
192.03423	1.2
197.13283	7.7
205.15869	2.6
215.07097	1.8
215.14337	19.1
233.06140	1.5
233.07935	6.0
233.15384	100.0
233.23012	2.3
234.15694	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	234.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96432	1.4
53.03960	1.6
55.01904	2.0
55.05511	8.5
55.93542	1.9
56.96385	1.2
56.96577	13.0
57.03436	3.5
57.07075	3.3
59.04999	2.8
61.01148	1.3
61.02923	2.1
63.03239	1.2
67.05531	2.2
69.03434	3.7
70.02952	7.7
70.06607	13.8
71.08626	4.6
71.54582	2.9
72.04530	15.2
72.93769	2.0
73.02927	4.5
74.02455	1.5
79.05491	9.4
81.07068	22.9
83.08639	3.5
84.08156	4.6
84.96066	2.0
85.02924	2.4
87.00822	1.4
90.05565	100.0
91.05479	6.2
95.04972	1.9
95.08641	2.6
97.02890	4.9
97.06639	1.4
98.02432	14.7
98.97594	9.6
99.04456	1.6
99.08118	9.9
100.03985	1.7
107.04961	1.6
108.08168	1.5
109.06520	23.5
110.09715	2.5
110.97593	3.8
111.04433	1.6
114.05557	2.5
116.03460	12.3
116.98669	3.0
117.09131	2.5
119.04948	2.7
120.04822	2.2
127.07613	2.6
128.98610	5.6
138.09161	21.4
139.84221	1.7
144.95886	1.5
146.99628	3.2
147.01086	1.6
147.04436	3.1
152.98625	1.7
156.10204	4.9
158.52908	1.4
158.99690	2.4
161.08426	1.5
170.99777	1.9
173.01291	1.6
175.03952	4.0
179.06964	1.7
180.10262	3.5
188.07504	2.1
188.12938	1.6
189.05542	1.9
190.12218	1.7
198.11272	32.3
207.06570	3.5
209.07950	1.5
211.02792	1.4
216.12363	22.5
222.04729	2.8
222.84570	1.3
223.05807	2.3
228.77509	1.2
234.02182	2.0
234.07800	5.2
234.13223	21.2
234.15349	2.8
234.18419	3.1
235.16946	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	234.1492
Annotation	Crispine A
Peak:m/z	Relative Intensity
53.31277	0.4
55.05503	0.8
56.96561	0.7
57.03430	0.4
57.07062	0.6
58.11292	0.4
61.19448	0.4
67.05511	0.4
69.03430	0.5
70.06586	0.5
71.08635	0.8
73.12080	0.4
77.52469	0.4
80.08445	0.4
81.03417	0.5
85.02891	0.4
86.09694	0.5
91.05489	1.1
93.07034	0.4
98.97606	2.8
103.05464	0.5
105.07059	0.6
116.98659	0.7
118.06561	5.9
119.07278	0.5
120.08128	3.8
130.06503	1.2
131.08527	0.4
132.04434	0.7
132.07185	0.8
132.08099	8.9
133.08888	7.6
134.09695	0.7
136.06177	1.2
144.08061	0.8
146.06023	16.3
146.09660	0.6
148.07588	0.5
149.01279	0.4
157.08917	0.6
158.09601	0.5
158.99666	0.7
160.07593	2.4
161.08348	3.3
162.09161	3.3
162.12802	3.2
172.11281	0.7
174.09215	1.1
175.14970	0.4
176.07109	0.5
176.10724	10.1
177.00661	0.5
177.11522	10.2
188.10626	0.5
190.08646	24.4
190.12273	10.8
202.12334	0.5
204.10228	1.9
205.10930	1.9
206.08209	0.6
206.15489	0.8
216.13853	0.9
234.14911	100.0
235.15150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33239	2.0
53.03923	2.9
53.34124	2.1
55.05511	4.2
56.96338	2.6
56.96571	35.1
57.03416	2.8
57.06829	2.6
57.07079	38.9
59.21520	2.3
64.51779	2.3
67.05490	6.0
69.03410	3.0
69.07064	5.1
70.02946	2.5
70.06582	9.6
71.04992	2.3
71.54601	3.1
72.08150	4.5
72.93768	4.5
74.02093	2.2
74.02448	22.7
79.05482	6.2
81.07054	4.9
84.04503	2.9
84.08142	2.6
84.96075	2.2
85.02892	4.2
91.05462	8.9
93.07034	5.2
95.04970	3.4
95.08601	6.4
97.02874	5.0
98.97598	14.6
99.04444	3.3
105.07000	5.6
106.06544	13.4
107.04951	7.3
107.08571	3.0
109.02879	3.8
109.06506	3.8
109.10117	2.5
110.97590	3.4
111.04400	2.8
112.99161	14.4
113.07098	2.7
113.96384	6.2
116.04973	6.4
116.98634	4.0
118.06525	7.2
119.04974	2.9
119.06096	2.4
119.08563	4.7
120.04453	2.9
120.08110	7.9
121.02824	3.7
121.06525	2.9
121.10179	2.3
123.04420	4.0
123.08025	2.8
130.06567	2.5
131.00177	17.4
131.05016	2.7
131.08575	2.4
131.97404	3.4
133.07634	7.0
133.10097	4.0
134.06024	29.8
134.99646	3.5
135.05544	5.3
135.11690	3.4
143.06056	16.4
144.04460	11.3
145.07628	7.2
146.06013	16.4
147.04414	3.0
148.03978	3.9
149.01245	10.6
150.05530	2.5
155.05998	11.8
156.03406	2.7
156.06816	6.8
161.04802	4.2
161.05992	3.6
161.07109	44.2
162.05519	59.2
163.02824	2.9
163.05014	7.7
163.07477	4.4
171.05554	20.4
172.03920	8.7
172.06369	2.5
173.07159	13.0
174.05518	6.4
177.00778	3.7
179.10695	26.3
189.04907	4.4
189.06596	80.1
193.03828	5.2
194.04956	4.9
199.05063	14.5
205.04460	3.4
207.07697	9.5
212.05911	16.3
217.06093	35.1
217.15842	4.7
230.06970	15.3
235.07347	37.8
235.09575	3.9
235.16934	100.0
235.20638	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	235.1695
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
50.65415	1.1
53.03933	1.3
55.01859	3.9
55.05520	9.8
56.96558	2.8
57.07077	17.7
58.96140	7.8
59.05002	3.9
60.78685	1.0
65.03929	1.3
67.05512	10.1
69.03428	6.9
69.07080	11.6
70.11131	3.8
71.04987	4.0
76.97177	1.9
79.05501	11.9
81.03387	1.6
81.07074	17.3
83.04987	2.4
83.08620	4.6
85.06557	6.5
91.05483	18.5
93.07057	17.4
95.04976	8.6
95.08057	1.6
95.08619	21.4
95.09231	1.3
97.06546	15.7
98.97578	1.3
99.98766	5.0
105.07041	33.6
107.04977	1.9
107.08606	35.8
109.06531	10.3
109.10165	15.4
111.08070	4.6
113.96416	1.1
115.05456	2.6
117.07022	6.4
117.99784	3.2
119.04913	1.5
119.08590	99.8
121.06488	3.6
121.10152	20.2
123.04402	1.6
123.08082	4.8
123.11709	4.3
128.06242	3.1
129.07013	5.6
131.00175	3.1
131.08580	15.4
133.06508	2.4
133.10144	58.7
135.07089	1.8
135.08067	18.2
135.11694	7.0
137.09628	8.9
137.53482	0.9
139.03882	1.5
139.11182	3.0
142.07738	6.0
143.08572	12.3
144.09314	2.4
145.06442	2.0
145.09062	1.1
145.10149	15.8
146.07301	3.6
147.08067	8.1
147.10532	1.0
147.11700	19.5
149.01207	1.5
149.02319	1.7
149.09583	3.2
149.13272	2.7
151.11182	11.6
152.18085	0.8
155.08539	1.5
156.09372	2.7
157.10132	14.2
158.10896	3.2
159.11708	12.5
159.70139	1.2
160.08861	2.5
161.09641	36.7
161.13274	4.7
163.07532	1.2
165.09155	1.0
169.10191	2.1
169.72681	1.1
170.10936	2.7
171.11694	7.7
173.13277	25.2
174.10410	1.0
175.11218	14.7
175.14841	22.1
177.12808	7.1
179.10713	18.0
184.12517	4.2
187.11174	3.0
187.14803	5.2
189.12793	3.4
189.16394	20.4
191.07040	2.5
191.14354	5.3
193.12231	1.3
193.15866	4.1
199.14865	12.3
202.13512	3.9
206.97894	1.4
207.11819	1.1
211.98534	1.1
217.15901	100.0
218.16237	2.3
219.08058	1.2
220.08803	3.4
229.99443	1.0
235.07701	1.7
235.11230	5.9
235.16942	97.2
235.20715	2.7
236.17291	1.7
243.74255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
53.03953	6.9
55.01868	1.2
55.05515	2.3
56.68541	0.5
57.07079	2.2
58.55859	0.5
65.03945	1.2
67.05511	20.6
69.07070	3.4
70.69202	1.6
77.03911	2.6
79.05499	30.4
81.03430	1.0
81.07063	7.1
83.04974	0.6
83.08638	1.3
85.06565	0.9
88.93859	0.5
91.05486	38.0
93.07049	100.0
94.07372	0.6
95.04976	7.4
95.08610	5.9
105.04522	3.3
105.07034	5.0
107.08603	15.7
109.10186	2.5
112.49343	0.5
117.07021	1.8
119.08601	4.4
121.06573	0.6
121.10149	21.0
123.08127	0.7
129.07051	0.6
129.81825	0.5
131.08569	2.0
133.10150	6.0
135.08035	1.9
135.11682	4.6
137.09595	0.8
143.08578	0.8
145.10161	0.8
149.09612	1.0
153.09021	0.8
157.10110	1.3
171.11726	1.6
173.13245	0.8
175.11234	0.7
175.14824	2.3
177.08716	0.5
179.10681	1.4
189.12695	0.7
189.16426	1.1
199.14812	2.3
217.15836	2.1
235.16925	17.7
235.20549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0759
Annotation	Radicinin
Peak:m/z	Relative Intensity
57.03445	6.4
63.02386	0.5
64.14149	0.2
67.05479	0.3
69.07067	0.3
79.05500	1.8
81.03381	0.2
81.07066	0.3
89.03926	8.4
91.05513	0.4
93.07045	0.2
95.04973	0.4
98.20707	0.4
107.04972	2.8
117.03391	13.2
135.04431	23.8
136.04778	0.4
139.03940	0.3
145.02861	18.3
146.03307	0.3
163.03918	100.0
164.04276	1.4
181.04965	1.0
181.06386	0.3
182.78310	0.2
186.05539	0.3
233.49359	0.2
237.07591	42.3
238.07927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0912
Annotation	cis-4,5-Dihydroxy-4,5-dihydropyrene
Peak:m/z	Relative Intensity
55.01886	0.9
65.01814	0.2
79.05476	0.3
81.07066	0.5
81.61621	0.2
85.81631	0.2
95.04993	0.2
95.08592	0.3
95.15028	0.2
97.06528	0.2
98.97594	0.3
99.24850	0.2
106.06451	0.2
109.06503	0.4
111.29667	0.2
120.67203	0.2
121.06541	0.2
153.07028	0.4
158.17944	0.2
165.07028	0.8
166.07774	0.8
167.08603	1.8
168.05711	0.7
169.06538	0.2
176.06238	0.2
179.08553	0.9
181.06508	1.1
181.10088	1.0
189.06949	0.9
190.07811	2.2
191.08569	11.3
192.08940	0.4
194.07292	3.1
195.08064	2.8
196.67642	0.2
201.06984	1.7
202.07805	2.6
205.06505	3.2
206.07231	0.5
207.08072	1.9
208.08899	0.2
209.09641	17.3
210.09964	0.3
217.06551	0.8
218.07292	9.5
219.08073	19.6
220.08788	1.2
221.05965	0.9
222.06815	1.4
223.07555	2.0
234.06709	1.1
235.07576	6.2
236.08282	1.1
237.09126	100.0
238.09454	1.8
247.08713	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	237.1276
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
55.05518	2.4
56.96565	0.5
57.07076	0.3
67.05513	0.3
67.57523	0.2
69.03449	1.1
69.07073	0.4
70.31555	0.4
70.31950	0.5
75.69463	0.2
79.05502	0.4
81.07057	0.5
82.30441	0.2
83.04945	0.3
83.08569	0.3
91.05507	0.2
93.07024	0.3
95.04971	0.4
95.08638	0.6
97.06522	0.3
98.21369	0.2
104.74655	0.2
105.07018	0.2
109.10160	0.3
110.04121	0.2
131.36046	0.2
140.31898	0.2
141.07083	0.2
141.65845	0.2
149.02347	0.3
152.06224	0.4
153.07005	0.7
158.07230	0.3
165.06987	2.2
166.07768	0.8
167.08549	2.0
168.09351	0.7
178.07758	1.3
179.08620	2.1
180.09294	0.4
181.06497	2.7
181.10135	3.5
182.07300	2.7
183.08073	1.7
189.06984	0.6
190.95360	0.2
191.08627	0.7
193.10149	3.5
194.07263	0.9
194.10939	0.9
195.08070	13.6
195.11740	0.7
196.08842	1.4
197.09579	0.2
197.44827	0.2
203.08551	1.0
204.09361	3.9
205.10109	1.6
207.08078	7.6
207.11334	0.3
208.08852	6.0
209.09619	3.7
209.13234	1.7
216.13290	0.9
216.63341	0.3
219.11719	11.6
220.08833	0.2
220.12245	0.3
221.09647	5.2
222.10416	24.4
223.10965	0.3
225.13806	2.4
225.63943	0.5
235.11136	0.4
236.64639	0.3
237.12755	100.0
238.13097	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	237.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01879	0.8
55.05259	0.6
55.05517	8.1
56.96579	1.9
57.03443	0.7
57.07081	0.6
59.05014	0.5
61.19799	0.3
65.03944	1.0
67.05512	7.8
69.03448	1.8
69.07085	1.9
71.05013	2.0
79.05497	5.0
81.03432	4.5
81.07061	7.6
83.04984	2.0
83.08630	2.6
84.41633	0.3
85.02924	1.6
85.06519	0.5
87.04433	0.4
88.78639	0.3
91.05492	6.5
93.07056	5.8
95.04978	100.0
95.08615	5.7
96.05309	0.4
97.06552	0.7
97.10205	0.6
99.04494	0.6
105.03396	0.5
105.07032	3.1
105.11818	0.4
107.04967	0.7
107.08603	2.8
109.06541	4.0
109.10159	2.3
111.04475	0.6
111.08110	1.0
115.05480	0.4
117.07040	3.1
119.08576	2.6
121.06519	3.2
121.10163	1.8
123.04415	0.7
123.08066	1.2
123.11703	0.4
125.94530	0.4
129.07057	1.2
131.08574	4.3
131.79741	0.3
133.10144	3.5
135.08067	2.6
135.11702	1.7
137.09656	1.2
141.07002	0.5
142.07828	0.5
143.08586	1.3
145.10139	1.6
147.11783	0.4
149.02393	1.8
149.09636	0.9
149.13266	2.1
152.06259	0.4
153.06985	0.7
155.08577	1.2
157.10146	1.2
159.08049	0.7
159.11716	4.6
161.09637	2.5
163.11191	0.6
165.07024	2.7
166.07729	0.7
167.08603	1.6
168.09398	0.7
172.94246	0.5
173.13261	2.5
175.11104	0.5
177.12761	6.0
177.16359	0.5
178.07811	1.2
179.08568	1.9
180.09312	0.5
181.06468	2.2
181.10124	3.9
182.07307	2.7
183.08067	2.1
183.11691	1.1
189.07045	0.5
190.07669	0.6
191.08595	1.2
191.10402	0.4
191.14314	1.1
193.05006	1.4
193.10132	4.8
194.07323	1.9
194.10924	1.0
195.06262	0.8
195.08066	14.0
195.11748	0.8
196.08850	1.7
201.12759	2.0
203.08643	0.8
204.09375	2.7
205.10117	1.0
207.08054	7.7
207.11520	0.6
208.08871	5.6
209.09660	5.0
209.13222	1.5
219.08374	0.6
219.11722	9.6
219.13812	2.3
221.09619	4.1
222.10429	15.5
223.10863	0.6
229.85271	0.4
235.11322	0.4
236.96550	0.3
237.09018	3.7
237.12764	91.5
237.14798	5.3
237.22235	1.0
238.13109	1.9
254.56126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47871	0.3
53.03946	0.7
55.01870	1.1
55.05517	9.1
56.96571	1.0
57.07073	0.7
59.77547	0.3
65.03951	1.3
67.05166	0.5
67.05513	6.8
69.03440	2.4
69.07088	1.6
71.05006	2.6
71.37225	0.6
79.05499	4.6
79.28314	0.4
81.03424	4.3
81.07061	6.1
83.05004	2.1
83.08636	2.3
85.02917	1.7
85.06570	0.7
87.04509	0.5
91.05492	4.9
93.07052	5.6
95.04979	96.8
95.08615	6.1
96.05317	0.9
96.13280	0.4
97.06534	0.8
97.10188	0.8
105.07027	3.3
107.02671	0.3
107.04972	0.9
107.08611	2.2
109.06526	4.0
109.10186	1.8
111.08097	0.7
115.05458	0.3
115.96493	0.6
117.07030	3.1
119.08600	3.3
121.02882	0.3
121.06543	3.3
121.10136	2.0
123.04423	0.8
123.08102	1.0
128.06273	0.4
129.07037	0.4
131.08586	4.1
133.10161	3.5
135.08086	3.5
135.11705	1.6
137.09601	1.2
141.07031	0.7
143.08604	1.0
145.10147	1.3
149.02295	2.0
149.03386	0.3
149.09668	0.9
149.13298	1.6
152.06252	0.6
153.07048	0.5
155.08568	1.2
157.10085	0.5
159.07996	0.4
159.11719	4.2
161.09628	2.4
163.03839	0.4
165.06992	2.1
166.07797	1.0
167.08638	1.5
168.09346	0.5
173.13264	2.2
175.11234	0.4
177.12766	6.3
178.07823	1.4
179.08551	1.5
180.09271	0.6
181.06494	2.7
181.10100	4.5
182.07280	2.7
183.08052	1.7
183.11714	1.7
184.09409	0.4
189.07025	0.7
190.07790	0.4
191.08589	0.8
191.10818	0.3
191.14297	1.0
193.05017	1.7
193.10168	4.4
194.07288	1.7
194.10928	0.9
195.08073	15.0
195.11722	1.4
196.08705	1.5
201.12778	2.4
204.09401	3.0
205.10170	1.2
207.08066	8.7
207.11644	0.5
208.08847	5.6
209.09612	5.3
209.13254	1.3
219.08429	0.4
219.11777	10.7
219.13814	1.8
219.17464	0.5
221.09608	3.7
222.10419	17.3
235.11189	0.4
237.12766	100.0
237.14772	4.8
238.13019	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	237.1852
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03937	9.6
53.06374	2.3
54.21645	2.7
54.25070	2.2
55.01861	5.9
55.05520	74.5
56.96572	22.6
57.03426	7.0
57.07064	7.9
59.04988	8.2
61.02901	2.7
67.05516	28.0
68.99798	2.9
69.03442	12.8
69.07084	21.0
70.06572	3.4
71.05000	30.2
71.55086	4.0
79.05494	21.0
81.03418	5.6
81.07068	49.9
83.04989	100.0
83.08610	8.2
84.96027	2.8
85.02898	9.0
85.06532	6.9
91.05502	21.4
93.07051	38.4
95.05000	17.4
95.08617	31.3
97.02898	6.2
97.06538	23.6
98.14268	2.7
98.97594	37.2
99.04446	3.9
99.08104	5.4
101.06023	2.7
103.05472	4.0
105.07042	39.8
107.04957	6.9
107.08608	35.0
109.02921	2.8
109.06523	14.1
109.10172	34.8
110.82718	2.2
110.97546	2.6
111.04445	2.6
111.08092	12.4
113.09670	2.2
115.05441	3.6
116.23289	2.3
116.98679	11.9
117.07008	6.4
119.04936	2.6
119.08587	13.9
121.02903	2.8
121.06519	5.8
121.10154	50.2
122.57492	2.6
123.08079	8.5
123.11731	21.6
125.06019	4.6
125.09635	5.4
127.11208	10.0
128.98660	2.7
129.06929	2.6
131.04921	3.7
131.08582	16.3
133.10150	73.9
134.10481	3.0
134.99660	3.0
135.04330	3.1
135.08104	5.9
135.11691	20.2
135.28485	2.4
137.05943	4.8
137.09610	5.9
139.11198	31.0
141.02232	3.3
145.06564	3.9
145.10144	18.4
146.06059	2.7
147.04414	3.2
147.11688	17.1
149.09627	6.8
149.13277	9.6
151.07533	3.2
151.11192	42.3
153.01808	2.9
153.12741	11.3
156.07990	9.5
158.99666	13.1
159.11705	26.2
161.04865	3.6
161.09590	3.0
161.13266	3.9
163.03972	3.8
163.07530	3.9
163.11171	12.6
163.14830	3.1
165.06931	2.9
166.07712	3.3
172.07990	3.2
173.13326	5.3
177.00665	8.7
177.05519	4.5
177.09184	4.8
177.12740	9.7
177.16484	3.9
179.08522	6.9
179.10640	2.2
181.06503	3.6
181.10155	3.4
182.22401	2.3
191.07019	3.9
191.08649	2.5
191.17975	3.4
193.04979	51.3
194.07224	7.8
195.07945	3.5
201.16414	16.2
207.07996	8.1
208.08762	4.1
209.09799	12.4
219.06458	4.0
219.10033	4.6
219.13840	5.8
219.17462	23.0
222.06818	5.5
222.10463	18.9
223.07578	5.6
228.10130	28.3
228.60359	4.7
237.07552	33.4
237.09207	21.7
237.12854	52.6
237.14890	6.9
237.16788	3.1
237.18541	37.2
237.20944	2.7
237.22086	6.1
238.09900	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	238.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52463	21.0
58.76219	22.3
64.37891	24.5
70.06576	63.7
70.17875	100.0
79.48845	26.8
86.86366	23.4
96.95935	28.3
98.21360	26.3
101.00873	34.0
119.01945	29.3
138.09097	44.0
150.05612	27.6
182.12169	22.5
211.75620	23.2
221.44911	28.7
233.01416	38.3
238.07210	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00303	0.8
53.03962	1.4
53.56760	0.6
55.05518	23.4
57.07081	100.0
65.03449	0.7
67.05511	51.7
69.07073	25.6
69.07458	1.0
71.04993	1.4
71.08638	61.4
79.05509	4.4
81.03444	0.6
81.07066	52.3
83.08625	27.5
83.09111	1.4
85.06563	3.9
85.10188	29.9
89.06055	1.1
91.05503	0.9
93.07073	3.0
95.08615	68.9
97.10175	13.9
97.10763	0.9
99.04497	1.8
99.08110	1.5
99.11752	1.2
100.37635	0.8
109.10168	23.8
110.40703	0.6
111.11764	2.1
123.11724	6.9
137.13309	2.0
151.14864	0.8
155.08698	0.9
161.87227	0.8
165.16461	0.8
169.10159	1.1
196.50668	0.6
239.08913	8.9
239.14302	0.9
239.18176	2.7
239.23856	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	240.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01866	4.2
55.05521	8.4
56.05028	3.4
57.03427	7.4
57.07067	6.8
62.23189	1.7
67.05225	1.7
67.05512	21.7
68.05038	19.5
69.07082	8.2
70.06588	7.7
70.34874	5.2
70.35224	1.7
71.04984	1.7
72.04503	2.7
76.15714	2.1
80.05018	8.4
81.05181	1.6
81.07056	3.4
82.02947	8.2
82.06586	4.6
84.04036	2.1
84.04514	19.0
84.08150	3.7
85.02912	1.9
85.06554	8.1
91.05482	2.3
93.07026	2.7
94.06557	4.7
95.04977	3.6
96.04513	21.4
98.06037	2.6
100.03987	22.5
108.08147	17.4
108.31618	1.5
110.09692	40.6
112.03976	7.6
113.06004	10.0
120.08122	7.8
122.09675	33.7
124.07597	1.7
126.09142	4.9
128.03467	20.2
136.07610	2.5
138.09155	100.0
140.03462	17.3
140.10709	5.8
148.07567	3.7
150.09161	37.1
154.08649	97.8
166.08656	30.0
168.10214	27.0
182.08168	25.9
184.09769	17.5
194.08191	21.0
196.09738	5.2
207.38139	1.5
212.09201	23.3
219.01828	2.0
240.08719	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	240.1153
Annotation	Monalide
Peak:m/z	Relative Intensity
55.01619	0.8
55.01875	7.8
56.96550	1.6
67.05520	4.2
68.05033	7.7
69.05831	1.1
69.07056	2.5
70.06593	2.9
70.78632	2.4
71.05024	0.8
79.05510	3.5
80.05007	3.2
81.03419	0.8
81.07071	3.7
81.91522	0.7
82.06602	1.7
83.03718	0.8
91.05505	3.8
93.07046	1.4
94.06567	3.4
95.07352	1.1
95.08608	1.4
96.04507	0.9
96.08119	1.0
98.97552	0.9
106.06562	9.0
107.08627	1.0
108.07424	1.2
108.08123	16.9
109.05251	1.4
109.10152	2.4
117.05685	0.8
117.07037	0.9
118.06573	6.8
119.07317	1.0
119.08586	0.9
120.08126	4.9
121.08884	3.2
122.06042	16.7
122.09677	1.2
131.08571	0.7
132.08072	1.4
133.08926	0.8
134.06035	1.1
134.09668	4.4
136.07593	26.6
146.09618	0.7
148.11209	2.7
150.12798	4.3
154.04288	0.9
158.03682	2.0
163.13580	1.9
171.04478	20.3
172.05217	1.5
176.14368	20.4
184.05090	0.8
186.12726	1.4
204.13820	3.5
212.12030	5.9
240.09689	3.6
240.11511	100.0
240.23233	0.9
241.08653	2.0
241.11897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1598
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
55.01884	7.8
55.05506	2.3
56.05029	1.1
56.96551	1.2
57.03432	1.0
65.03938	1.0
67.05521	4.4
68.05018	3.7
69.03430	1.8
69.05820	1.0
69.07076	15.2
70.02964	2.4
70.03794	0.9
70.06250	1.7
70.06600	20.7
70.97491	0.7
71.05001	24.2
71.55112	0.9
71.55481	1.1
78.09418	0.8
79.05499	6.4
80.05022	1.5
81.07075	6.0
82.06578	1.4
83.04977	1.5
84.02136	1.8
84.04499	1.4
84.08144	1.3
86.06062	3.8
91.05476	2.4
93.07054	3.0
94.06574	2.5
95.04922	1.2
95.08627	1.9
96.04496	3.7
96.08142	23.8
97.02890	1.3
97.05255	1.8
97.06525	1.9
98.06075	2.5
98.09726	9.2
98.97585	1.6
102.44803	0.9
105.07044	1.2
106.06568	6.8
107.08599	2.5
108.08132	6.6
109.10149	2.2
109.63438	0.9
110.06055	1.0
111.04495	1.2
112.07639	1.2
116.98622	1.7
120.08154	1.1
122.06042	13.0
122.09692	1.0
124.07610	73.7
124.11193	1.9
125.08365	4.0
126.09205	1.2
134.09685	1.1
136.07530	2.0
140.07088	15.3
150.12798	5.9
152.07079	3.9
152.10696	3.5
153.07883	10.3
154.08640	1.1
162.09154	0.9
166.08713	1.1
176.14366	3.3
187.45442	0.9
194.15396	8.2
195.08102	1.2
197.05933	1.1
204.13866	8.8
222.06326	2.8
222.14917	100.0
240.07288	3.4
240.09264	2.3
240.12402	1.8
240.16066	6.5
240.23329	1.4
241.08441	5.0
241.12321	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	241.0862
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
50.01595	1.6
50.46376	1.1
51.02384	2.3
53.03959	12.7
55.01872	4.9
55.05512	7.0
56.96546	1.4
57.03437	1.3
63.02386	1.4
65.03939	4.2
67.05170	2.1
67.05514	29.5
69.03419	3.5
69.07069	4.3
77.03924	4.7
78.04700	1.9
79.05503	57.3
80.06279	3.0
81.03429	6.9
81.07053	5.3
83.04990	11.8
89.03928	40.8
90.70673	1.1
91.05501	6.9
93.07048	3.4
95.04982	31.0
95.08607	3.2
96.05764	3.2
97.06549	1.4
98.20609	1.1
98.97591	5.0
103.05463	4.5
105.03398	4.5
105.04546	6.8
105.07048	2.7
106.04203	1.6
107.04972	6.9
107.08571	2.8
111.04484	1.3
111.23570	1.0
113.56436	1.0
115.05492	8.3
116.98624	1.3
117.02605	2.2
117.03395	31.0
117.07021	1.3
119.04918	1.1
119.08517	1.4
121.06546	1.2
121.10153	3.8
128.06239	6.6
129.07030	8.1
129.68520	1.1
131.04933	7.6
133.02879	7.0
134.03659	18.8
135.04431	36.4
135.11578	1.1
139.05499	1.2
141.06996	6.0
142.07794	9.9
143.04930	4.8
143.08578	3.3
145.02866	28.6
145.06544	1.9
146.03622	2.6
147.04395	5.7
147.08047	3.1
152.06245	10.3
153.07011	5.1
155.04918	1.9
155.08536	1.4
156.05695	6.0
157.02812	1.8
157.06531	6.5
157.10141	3.1
159.04440	10.7
161.02313	3.0
162.03165	3.6
163.03925	75.6
165.07033	3.5
166.07800	1.2
167.08598	16.2
169.06519	6.4
170.07280	6.2
171.04404	3.3
171.08089	5.2
173.01031	1.5
173.02376	4.4
177.07013	3.0
178.07942	1.3
181.06477	3.7
183.08041	1.5
183.26474	1.1
184.05154	11.0
185.02509	1.4
185.05997	4.7
185.09630	10.1
186.05617	1.5
187.04068	2.6
195.08081	19.1
197.06059	5.8
198.06757	5.9
199.03957	14.0
199.07571	19.8
199.11153	1.4
212.04752	5.6
212.08414	1.3
213.05518	4.9
213.09111	12.7
213.12546	1.2
223.07474	7.1
223.11284	1.3
226.06293	6.4
241.08623	100.0
241.12167	11.6
241.15945	3.0
241.19621	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	241.155
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.54558	0.3
55.05502	0.3
56.96547	0.7
58.06606	18.5
67.05517	0.4
69.03397	0.3
70.06596	2.8
70.09322	1.2
71.04991	0.3
72.08163	0.6
73.02930	0.4
79.09721	0.2
79.91874	0.2
81.03401	0.7
84.04494	0.3
84.08150	11.2
85.02911	0.7
85.06532	0.4
85.08506	0.2
95.04951	0.3
97.02894	0.6
98.06065	0.3
98.09701	1.0
98.20791	0.2
98.97577	1.0
99.04477	0.3
100.11256	0.5
101.00909	0.3
113.05985	0.4
114.05540	0.5
116.07072	0.6
126.05515	0.4
128.10725	4.1
130.05019	0.3
144.10213	1.2
164.07115	0.4
166.09999	0.2
168.10211	1.1
195.11224	0.3
196.09715	5.8
198.11313	0.4
211.77765	0.2
213.15939	0.7
227.99147	0.3
241.15488	100.0
242.10141	0.4
242.15813	1.5
264.97781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54966	0.8
55.01886	1.0
55.05511	6.0
56.05032	1.4
57.03445	5.8
57.07075	2.8
62.27160	0.7
65.03964	3.3
67.05510	37.4
69.03408	3.3
69.07074	2.6
70.59000	1.3
71.05002	7.5
74.07403	0.6
81.07035	0.8
83.06104	4.2
84.04509	5.5
84.08150	36.4
85.02911	20.4
85.06543	4.0
85.08501	0.8
86.09716	4.3
87.04474	2.5
94.06581	1.5
95.01334	1.8
95.04979	37.4
96.04494	1.2
96.08138	1.4
98.97588	1.3
102.05536	3.7
106.06565	1.3
107.08625	0.9
108.08135	3.7
110.06041	2.5
112.03990	0.8
112.07619	6.2
113.06015	46.2
121.08892	1.1
122.09676	4.3
123.08076	2.0
124.07629	4.3
130.04037	1.5
130.05014	30.4
131.03406	1.7
132.08112	3.2
134.09700	1.7
136.07631	1.0
140.10718	1.1
141.09181	0.8
150.09154	7.0
156.02908	1.2
160.07571	1.9
168.10222	1.6
168.76672	0.7
169.08458	0.8
170.08185	0.9
178.08640	2.2
196.09711	100.0
198.11279	38.8
214.10674	1.0
224.09186	4.1
242.10245	69.4
243.10492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76902	0.2
56.75233	0.3
56.96484	0.5
69.89092	0.5
69.89507	0.9
82.99750	0.8
93.56435	0.3
98.97478	4.6
101.00774	8.0
101.01482	0.6
108.11032	0.2
116.97845	0.2
116.98644	2.7
119.01936	10.6
119.02713	0.6
120.01924	0.4
125.53435	0.3
129.49200	0.2
134.99869	1.4
137.03006	1.2
140.98839	1.8
155.00101	0.3
157.01862	0.3
158.99902	5.7
175.03008	0.4
177.00977	21.9
178.01004	1.0
178.88063	0.3
178.93364	0.4
179.99034	0.3
182.99776	1.1
193.04042	0.3
195.02078	0.3
196.92844	0.4
196.94528	6.5
197.00662	0.3
199.03026	0.4
200.99144	0.5
201.00912	4.3
201.02609	0.5
209.29498	0.2
214.95601	11.3
215.95631	0.3
217.04095	3.2
219.02034	25.5
219.96080	0.9
220.02133	2.2
221.01836	0.4
225.00800	2.6
228.98877	0.3
232.96678	4.2
237.97212	5.9
238.95537	0.5
240.49779	0.3
243.02010	12.1
248.95882	0.4
255.98352	1.2
256.96707	1.1
259.00195	0.3
261.03094	100.0
262.03256	3.0
263.03430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0867
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02371	1.0
53.03941	3.7
55.01870	2.6
55.05517	2.9
56.96573	7.8
57.03415	1.0
61.02931	11.2
64.79089	0.9
65.03941	8.2
67.05505	4.1
69.03422	1.9
69.07059	1.2
69.80625	2.3
69.81033	3.7
70.06600	2.2
71.06849	1.0
72.08147	1.1
73.02937	1.1
75.04501	1.0
79.05486	4.9
79.16254	0.9
81.03414	2.8
81.07076	6.2
82.04216	2.9
84.04501	1.8
84.08153	3.0
85.02920	7.2
86.09738	2.6
91.05488	17.5
93.00584	1.0
93.03416	2.2
93.07065	1.3
94.04237	1.0
95.04976	13.0
97.02899	2.8
97.06569	2.4
98.97601	8.6
103.05482	2.0
105.03403	4.4
105.04553	1.4
107.04958	8.2
109.02869	1.7
109.06537	13.4
110.03685	4.9
111.04449	1.7
116.98628	2.8
118.04207	1.3
119.04950	6.3
119.08593	1.3
121.02895	2.2
122.03693	1.4
123.04436	17.2
125.02371	6.7
125.06023	2.4
129.10205	1.4
133.02876	12.4
134.99672	1.4
135.04425	4.6
137.05989	22.2
138.03145	1.5
139.03868	1.1
140.04697	100.0
141.05066	1.4
142.02635	2.5
143.00212	1.2
146.03659	1.4
147.04451	6.8
152.04628	2.1
153.05478	2.7
155.07045	81.1
158.99709	1.8
163.03932	5.0
165.05502	18.7
167.07037	2.3
171.06519	3.8
173.08101	4.7
175.03915	1.3
175.74721	0.9
177.00815	1.1
179.07074	10.6
180.04178	14.6
181.04977	75.3
183.06552	3.1
193.04982	21.7
195.06546	13.2
197.08153	7.7
201.00790	1.4
207.06554	24.1
219.01753	2.3
225.07555	18.0
231.05263	2.9
237.02959	1.2
243.06476	1.6
243.08519	9.8
243.13828	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	243.0868
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03942	3.5
55.01882	2.4
55.05507	2.5
56.96585	5.9
61.02937	10.5
65.03949	5.5
67.05495	4.6
69.03425	2.6
69.07071	1.7
69.75877	5.6
70.06605	1.3
77.03926	1.2
79.05513	6.6
81.03432	2.0
81.07054	4.1
82.04195	3.6
84.04507	1.1
84.08151	1.7
84.96032	1.2
85.02908	4.9
86.09737	2.5
91.05497	16.5
93.03425	2.4
93.07057	1.7
94.04179	1.8
95.04447	1.3
95.04990	14.4
95.08624	1.0
97.02876	2.2
97.06548	2.7
98.20804	1.8
98.97592	5.1
105.03388	5.6
107.04968	6.8
108.02100	1.8
109.02859	1.0
109.06543	15.1
110.03674	5.5
111.04453	2.9
116.98630	2.3
119.04965	6.1
121.06537	1.6
123.04444	14.1
124.99168	0.9
125.02351	6.7
125.06009	2.2
132.30547	1.0
133.02866	14.4
135.04428	4.9
137.05986	21.2
138.03076	1.4
139.03917	1.1
140.04704	100.0
141.79626	0.9
142.02602	1.7
146.24687	1.0
147.04433	6.0
149.02303	1.1
152.04712	3.0
153.05510	5.1
155.07054	80.6
158.99629	1.0
163.03914	4.1
165.01840	1.9
165.05515	19.8
165.06902	1.4
167.07082	1.9
171.06516	3.6
173.02876	1.0
173.08134	3.9
179.07065	10.8
180.04196	14.6
181.04985	72.6
183.06543	4.2
184.03694	1.6
189.00905	1.1
192.04234	1.4
193.04996	22.8
195.06567	11.9
197.01237	1.4
197.08099	7.9
197.12955	1.3
201.00626	1.2
207.06549	25.3
219.01746	2.7
225.07608	17.7
243.08572	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	244.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90687	0.6
53.61992	0.7
55.01874	0.9
55.05524	3.4
56.05024	1.1
56.96562	2.6
57.03435	1.6
59.05002	3.0
59.06195	0.6
59.22593	0.6
62.98253	1.3
67.05506	1.8
69.03432	0.9
69.07076	62.3
70.00789	1.4
70.01183	1.6
70.02964	0.8
70.06601	12.6
71.04986	0.8
72.08160	2.3
73.06557	11.2
84.04515	20.2
84.08142	3.1
85.02425	1.2
85.02914	19.5
86.09717	23.3
87.10033	1.0
92.05733	0.7
95.01345	1.8
96.04489	1.1
97.02855	0.9
97.06544	3.5
98.97607	2.7
99.04467	1.0
102.05561	7.5
108.08115	0.7
112.03949	1.4
115.07600	6.4
116.07091	6.9
116.98594	1.1
130.05017	78.0
134.99657	0.6
140.04755	0.9
141.04953	0.8
142.05008	13.6
146.94626	0.8
155.26952	0.6
156.06517	5.4
169.08606	1.7
181.04778	0.9
182.05440	0.8
182.08130	1.2
198.11279	100.0
199.11693	1.2
200.06570	3.1
203.13817	0.7
216.12436	1.7
228.08698	1.2
244.05722	3.1
244.11827	81.7
245.11707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18520	0.4
55.05513	1.3
56.05045	4.2
62.38667	0.4
66.22713	0.4
69.78035	1.0
69.78441	1.8
69.81010	0.5
70.06599	100.0
71.04995	2.0
71.58711	0.5
72.08160	7.7
77.70253	0.5
84.04514	87.6
85.02917	0.7
90.49198	0.4
94.06583	0.6
98.06081	2.2
99.04456	3.4
102.05544	1.9
108.08109	0.6
116.07107	69.5
126.09193	0.5
130.05017	19.9
136.07558	1.4
143.36398	0.4
154.08633	1.4
182.08141	17.5
184.09711	2.8
199.10802	1.3
201.72147	0.4
228.08676	12.4
228.20230	0.5
238.22980	0.5
245.11366	11.0
249.75459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87144	0.7
55.05520	1.7
56.05036	3.4
59.48970	0.7
59.64482	0.7
70.06599	100.0
70.09681	1.8
70.10076	1.7
71.04996	1.2
72.08160	7.3
84.04513	78.1
85.02911	1.4
90.24155	0.8
94.06583	1.0
98.06067	2.3
99.04479	2.7
102.05565	2.6
116.07103	78.9
130.05014	19.0
130.05931	1.1
130.62592	0.8
132.07724	0.7
136.07610	1.3
138.09128	0.9
154.08682	1.8
155.79341	0.8
182.08139	19.1
184.09782	2.8
185.03017	1.2
199.10904	1.9
228.08673	12.0
245.11336	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	245.1134
Annotation	CHEBI:73508
Peak:m/z	Relative Intensity
55.05501	0.8
56.05045	4.6
60.31915	0.6
64.74949	0.7
64.84283	0.7
69.83260	3.9
70.06599	100.0
71.05028	1.7
72.08163	8.8
84.04513	93.1
85.02948	1.0
94.06570	0.7
97.27513	0.7
98.06071	2.6
99.04478	3.1
102.05555	2.4
116.07104	76.8
118.16619	0.7
130.05016	18.7
130.05948	1.2
136.07652	1.8
153.14772	0.7
154.08656	2.0
182.08147	17.0
184.09721	2.8
199.10962	1.1
228.08684	13.9
228.12375	0.7
245.11368	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	245.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.8
57.07064	4.0
67.05492	8.1
69.07075	15.4
69.20583	16.8
70.06598	2.4
79.05519	3.6
81.07067	25.3
83.08628	11.3
84.04493	4.1
91.05485	6.3
93.07056	13.5
95.08611	25.5
97.10178	4.1
98.21449	3.6
105.07037	19.4
107.08608	24.3
109.10172	23.7
114.08253	1.4
116.07078	2.4
119.08588	19.3
121.10155	17.9
123.11732	14.9
133.10139	17.7
135.11697	18.3
137.13287	6.2
145.10132	2.3
147.11697	14.2
149.13261	17.4
159.11848	1.9
161.13300	13.5
163.14830	20.6
175.14859	23.9
177.16325	1.6
187.14937	2.0
189.16396	22.3
190.45154	1.6
202.17180	1.6
203.17966	11.1
217.19621	1.7
245.22682	100.0
246.22935	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	246.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08567	0.3
57.07079	4.1
70.98811	0.5
76.72369	0.2
83.34785	0.3
85.06549	1.8
91.05475	0.3
93.07019	0.7
105.07046	1.3
119.07336	4.5
134.09666	100.0
135.09962	0.8
136.13269	0.3
166.04755	0.3
177.17857	0.3
182.19572	0.3
218.15434	3.4
231.16878	0.3
246.14957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1118
Annotation	Methionylproline
Peak:m/z	Relative Intensity
53.03944	0.9
55.05497	1.0
56.96560	2.6
57.03416	0.9
57.07068	0.8
58.80924	0.6
65.03936	0.9
65.83321	0.7
67.05502	2.4
69.03419	1.3
69.07071	1.5
70.06592	0.9
71.55312	1.1
72.08157	4.5
79.05483	1.9
81.03418	1.0
81.07052	3.5
82.06570	0.9
83.04981	1.3
83.08615	0.6
84.04498	3.4
85.02903	1.1
85.06537	1.0
91.05489	3.8
93.07034	3.1
95.04962	2.6
95.08605	2.0
95.85233	0.7
97.06550	1.4
98.97601	0.9
105.07014	3.5
107.04989	1.0
107.08620	3.5
109.02888	0.9
109.06554	1.2
109.10158	1.1
115.05442	0.9
117.07025	2.0
118.08646	2.0
118.69859	0.7
119.08596	3.3
121.02831	2.1
121.06499	2.1
121.10139	2.9
123.11686	1.0
128.06212	0.8
128.07072	1.5
128.98601	1.5
129.06966	1.6
131.08565	2.5
132.05745	0.7
133.10120	2.5
133.37801	0.6
135.08047	1.9
135.11678	1.0
137.09631	0.7
143.08534	1.1
144.05769	0.9
145.06483	1.6
145.10118	4.2
147.04428	0.8
147.08038	2.2
147.11665	0.9
149.09622	1.6
158.07312	0.8
159.08061	3.3
159.11690	3.1
161.05951	3.6
161.09648	1.6
163.07544	1.4
163.11124	0.8
165.07077	0.8
168.09325	1.0
169.10114	0.7
173.06023	0.8
173.09613	2.2
173.13235	1.8
175.07565	2.5
176.08336	4.5
177.09129	0.9
184.09644	1.1
187.07576	2.3
187.11208	2.3
189.07010	2.5
189.08987	0.8
190.06262	1.6
190.07843	1.6
191.07083	1.4
191.08577	2.6
191.10684	3.0
192.37280	0.7
201.00612	1.2
201.09396	0.8
201.12709	1.6
201.16420	1.6
202.07724	3.4
203.06918	1.1
203.08583	9.0
204.09354	11.0
205.04961	0.9
205.10077	0.8
214.07823	0.8
214.13470	1.1
215.06915	0.8
215.08635	6.0
217.10133	1.6
218.07269	1.8
219.08322	3.9
219.11768	9.2
227.08528	2.7
228.09363	6.2
229.07835	1.3
229.10158	20.6
229.12302	2.0
229.15878	2.9
230.10555	1.2
231.08078	16.5
232.08842	66.2
233.09279	1.5
245.09593	1.4
247.11183	100.0
247.13181	7.3
247.16574	7.0
248.11485	1.6
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	Unknow
Peak:m/z	Relative Intensity
51.69088	0.7
55.05517	7.3
55.22845	0.7
56.05021	2.9
69.51823	4.9
72.08159	100.0
84.04507	67.2
85.02888	1.3
91.81136	0.7
102.05563	1.0
118.08660	50.8
121.60677	0.8
130.05011	11.2
138.09114	1.9
142.72183	0.9
147.80391	0.8
156.10194	5.9
165.96222	0.8
184.09698	21.1
225.73088	0.7
229.03127	2.1
229.11833	1.5
230.10252	11.2
247.04265	7.2
247.12938	13.0
269.92053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.129
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
50.84450	0.5
55.05302	0.7
55.05518	8.3
56.05032	2.6
61.03349	0.6
63.16177	0.5
63.70744	0.5
69.65490	1.0
69.65897	2.7
72.08163	100.0
84.04514	64.2
98.20841	1.1
102.05569	1.3
110.09659	0.7
116.05126	0.6
118.08669	56.2
123.55821	0.6
130.05025	11.1
131.93340	0.5
138.09169	1.3
156.10222	3.7
162.85576	0.6
164.40077	0.6
184.09715	17.7
229.11864	0.7
230.10257	12.6
247.12927	12.5
247.15414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1131
Annotation	Valinopine
Peak:m/z	Relative Intensity
55.05514	7.0
56.05030	0.7
56.96560	2.1
57.03441	3.3
57.05814	0.7
69.03426	0.6
70.06601	0.6
71.17078	0.8
71.17410	0.7
72.08160	100.0
73.08491	1.1
84.04517	1.5
84.08183	0.6
85.02911	56.1
94.06622	0.5
96.97143	0.5
97.02901	0.6
97.06509	0.5
98.97591	1.6
103.03999	0.8
116.98595	0.6
118.08662	32.0
121.08445	0.7
131.03418	5.6
152.96581	0.7
156.10194	2.9
169.80620	0.5
178.31381	0.4
184.09714	2.3
197.56061	0.4
202.10759	13.2
202.12447	1.0
229.35086	0.5
230.10329	1.7
248.11258	2.7
248.13564	0.5
248.16638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.4
56.05031	4.9
56.05840	3.8
56.94029	1.1
56.96562	2.7
57.05373	1.7
58.91545	1.0
66.59366	1.1
69.07068	1.2
70.06600	2.1
70.44588	2.7
72.08162	100.0
73.07832	4.4
73.08493	60.0
73.08820	0.9
73.08915	1.0
79.05498	1.2
84.04510	59.4
84.08147	3.1
85.02911	4.5
85.04279	2.2
85.04842	40.2
97.06529	3.0
98.20745	1.2
98.97597	6.2
99.89783	1.1
101.00856	1.2
102.05536	2.1
110.97574	1.2
118.03543	1.5
118.08668	40.6
119.01897	3.5
119.09010	34.9
120.08073	2.1
126.21504	1.3
130.05008	9.7
131.05360	8.9
132.27173	1.0
139.09467	1.6
156.10196	2.4
157.10551	4.3
158.99680	2.5
161.04733	1.6
162.05466	1.8
177.00671	1.3
184.09711	4.4
185.08514	1.8
185.10057	22.7
231.10603	16.1
243.01784	1.2
248.13219	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	249.046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.8
64.53170	1.0
68.75507	0.9
70.74792	2.2
70.99860	1.4
78.08713	0.8
82.99856	6.4
93.65041	0.8
98.97591	4.0
99.42741	0.9
101.00894	63.6
103.02451	2.1
109.21439	1.0
113.00896	5.0
115.02457	2.5
116.98590	1.7
119.01933	100.0
120.02077	0.9
120.97071	0.9
121.02418	1.2
124.99204	1.1
127.02458	2.6
129.00307	1.0
131.01929	12.5
132.69876	0.8
135.49246	1.1
137.02968	11.2
141.00363	1.5
142.03539	1.5
143.00182	2.2
143.01921	30.2
143.03041	1.6
145.03476	13.3
147.01402	2.9
149.02960	2.1
157.03464	3.1
158.99667	0.9
159.00072	1.2
159.01427	13.8
161.02977	63.5
162.03221	1.4
163.04543	1.6
171.01393	9.0
173.02979	7.0
177.02464	22.1
179.04025	1.3
184.04639	1.3
189.02469	45.3
189.70325	0.9
191.04085	5.7
201.02464	6.8
203.04063	2.2
207.01653	1.5
207.03528	12.1
219.03465	6.9
221.05159	1.0
231.03607	3.9
249.04614	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05522	4.6
56.96552	1.5
57.03429	1.1
61.82566	0.8
67.05499	2.1
69.03448	5.4
69.07070	1.2
70.06617	0.9
74.99052	1.0
79.05522	0.8
79.94332	0.8
81.03421	1.8
83.04984	7.4
85.01156	4.1
85.02904	6.6
91.05485	4.2
95.08553	0.8
95.24857	0.8
95.54363	0.8
97.02895	3.9
98.97604	2.4
99.04446	1.7
103.02200	4.0
103.05495	1.6
105.07031	1.9
107.08600	1.0
109.02869	1.2
115.05430	3.0
117.07029	5.4
121.06563	1.2
127.03941	2.6
129.05446	2.2
129.07036	2.4
131.01640	3.3
131.04962	0.9
131.08524	1.5
133.06494	1.5
133.10065	0.9
136.07532	0.8
144.05734	1.6
145.06506	4.6
149.02661	1.0
155.06030	1.5
157.06453	1.1
159.01085	1.8
159.04442	1.9
159.08017	2.2
161.05975	1.2
161.09686	1.5
170.07303	1.3
171.07983	1.4
173.05978	2.3
175.07498	1.7
177.00768	1.5
177.02217	1.1
187.07497	2.4
189.05464	1.9
190.06247	2.7
195.03133	1.7
203.07147	1.1
203.10701	0.9
206.15463	1.6
217.04945	2.6
221.04948	0.9
221.09593	1.2
222.99834	1.0
234.06796	2.1
234.10403	1.3
248.59297	1.5
249.11037	100.0
249.15154	2.8
249.20474	1.8
250.11461	1.2
267.10876	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	249.1125
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.79289	0.5
55.01866	1.2
55.05520	1.2
56.96560	2.9
57.03428	0.9
59.04988	0.5
60.58034	0.4
67.05498	2.0
69.03441	3.0
69.07058	0.9
69.88651	1.2
69.89067	1.7
70.06579	0.5
72.08127	0.5
72.57202	0.5
73.02900	0.8
73.41703	0.4
79.05463	2.3
81.03389	1.4
81.07047	1.2
83.04958	0.6
84.04477	0.5
85.02901	2.9
87.00812	1.4
91.05486	10.9
93.07032	2.0
94.98273	0.5
95.04968	2.5
95.08571	1.5
97.02859	1.4
97.06526	0.9
98.97557	1.6
99.04456	1.1
103.05457	2.8
105.07036	4.5
107.04971	2.8
107.05524	0.5
107.08586	1.1
109.02813	0.5
109.06505	0.8
109.10210	0.7
115.04697	0.6
115.05463	9.2
116.06271	4.0
117.07030	5.2
119.04967	1.4
119.08592	2.7
121.06467	1.9
121.10117	1.1
123.04420	2.6
123.08012	0.8
127.03911	1.2
128.06233	12.0
129.07014	23.6
130.04129	0.5
130.07790	1.3
131.04941	3.6
131.08580	18.6
132.05661	1.7
133.05777	0.4
133.06519	4.7
133.10118	2.7
137.05975	0.7
139.05432	0.6
141.06982	10.0
142.07782	4.8
143.04919	1.5
143.08572	6.0
144.05725	10.5
145.06500	7.9
145.10097	0.7
146.07298	3.4
147.04414	3.1
147.08020	1.1
149.05945	1.0
152.06174	1.2
153.05646	0.5
153.06973	2.3
155.04857	0.6
155.06006	2.1
156.05695	2.3
157.06500	11.1
157.10046	0.5
158.07295	2.7
159.04417	1.3
159.08067	27.7
160.05202	5.0
160.08789	0.7
161.05994	10.3
161.08447	0.8
161.09628	8.3
165.06982	0.9
167.02275	0.5
167.06966	1.2
169.06425	1.5
169.07605	4.4
170.07274	9.1
171.04489	2.4
171.08057	9.2
172.05215	3.7
173.06006	4.9
174.01057	0.6
174.06781	3.0
175.07565	5.5
177.00618	0.6
177.05498	1.0
178.06239	0.9
184.05200	1.1
185.05956	1.4
185.09583	0.7
186.06815	0.6
187.07565	19.7
188.04530	0.7
188.08195	1.4
189.05573	4.1
189.09122	28.2
190.06233	2.1
191.07008	1.8
193.08575	1.0
194.05307	0.6
194.07126	0.5
198.06784	2.4
199.07545	3.5
201.05565	2.6
203.07060	7.3
203.10507	0.6
204.07832	12.6
205.06715	0.7
205.08620	2.8
206.07198	1.5
206.09306	1.2
213.09119	0.9
216.07805	4.6
217.04944	1.9
217.08569	1.4
218.09418	1.1
219.08075	1.3
219.10139	1.9
221.07932	1.3
221.09660	1.5
221.11346	2.7
221.15210	0.5
231.06505	0.9
231.10176	9.9
231.13754	1.2
231.17303	0.6
234.06712	1.8
234.10628	4.3
249.11183	100.0
249.20450	2.7
250.11641	0.7
267.09088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
54.11031	0.5
54.51006	0.5
55.01863	0.9
56.96557	0.8
57.03434	1.0
58.39496	0.5
60.22725	0.5
63.28740	0.5
67.05518	0.6
69.03431	2.8
71.08854	0.6
78.60147	0.6
79.05483	0.9
81.03410	0.9
85.02891	2.0
87.00781	0.7
89.35121	0.6
91.05484	7.4
93.07035	0.9
95.04932	1.2
97.02886	2.0
98.97596	1.5
103.05463	1.5
105.07040	3.3
107.04933	2.0
109.02901	0.8
109.06507	0.6
115.05472	6.3
116.06249	4.1
117.07034	3.6
118.07808	0.7
118.96942	0.6
119.04934	0.7
119.08622	0.9
127.03946	1.3
128.06238	8.9
129.07007	23.0
130.07780	1.0
131.04924	2.3
131.08574	17.7
132.05721	1.1
133.06511	3.4
133.10114	2.3
141.06999	10.4
142.07782	4.3
143.04900	0.9
143.08546	4.1
144.05693	9.9
145.06506	5.1
146.07240	3.6
147.04405	1.9
147.08058	1.0
152.06232	1.0
153.07030	2.9
155.06036	1.8
156.05699	2.3
157.06499	10.5
158.07227	2.4
159.04465	0.6
159.08061	28.2
160.05246	1.5
161.05960	3.8
161.09621	7.6
165.01866	1.0
167.06995	0.8
169.06421	1.6
169.07623	3.3
170.07274	9.3
171.04414	1.5
171.08069	7.3
172.05203	3.7
173.05991	3.7
174.06726	2.8
175.07518	3.8
177.05467	0.8
181.06349	0.6
183.02942	0.7
184.05252	0.7
185.06015	0.9
187.07561	17.9
188.08286	1.0
189.05551	3.2
189.09108	9.2
190.06314	1.4
191.07013	1.7
193.08559	0.9
198.06697	1.9
199.07549	3.1
201.05449	2.5
203.07045	5.7
204.07829	13.7
205.08624	2.2
206.07314	1.3
206.09253	1.0
216.07791	3.7
217.08531	1.1
218.09384	1.6
219.10126	2.4
221.09671	1.4
221.11749	3.0
231.10127	7.6
231.13745	1.1
234.06714	1.6
234.10551	1.1
249.11220	100.0
250.11562	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	249.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56889	0.4
53.03944	0.7
55.01859	0.5
55.05508	1.8
56.96566	1.0
57.07064	0.8
60.13957	0.4
65.13503	0.3
66.09039	0.4
67.05508	3.1
69.03415	1.4
69.07055	1.0
69.33801	0.8
69.34215	2.6
71.05005	0.4
71.48450	0.3
71.53563	0.4
79.05481	2.5
81.03412	0.8
81.07050	1.8
83.05002	0.5
83.08606	0.9
91.05484	3.6
92.06249	0.5
93.07038	2.2
95.04987	3.0
95.08596	1.7
97.06540	0.9
97.10169	0.4
98.97584	0.6
103.05479	0.5
105.03379	0.6
105.07027	1.9
107.04952	1.5
107.08601	1.8
109.06513	0.7
109.10148	1.1
111.08069	0.9
115.05446	0.8
116.98660	0.5
117.03389	0.4
117.07054	0.6
119.04918	0.6
119.08586	1.5
121.06489	2.0
121.10156	1.0
123.04444	1.4
128.06218	0.5
129.07021	0.9
129.22704	0.5
131.08534	0.6
133.06467	0.5
133.10147	1.2
135.04387	0.4
135.08052	0.8
135.11665	0.4
141.06917	0.6
143.08551	0.8
145.06552	0.7
145.10144	0.6
145.40587	0.4
147.08025	0.7
147.11737	0.5
153.09148	0.7
157.10083	0.4
161.05974	0.8
161.09637	0.7
163.01642	0.5
165.06967	0.6
167.08536	0.7
171.11676	0.5
175.07602	0.7
175.11220	0.4
178.07806	1.4
179.08511	1.5
187.07445	0.5
189.05464	0.6
189.09097	0.7
189.16486	0.5
190.07823	1.0
191.08600	1.6
192.09294	0.9
193.10156	1.7
202.07829	1.7
203.08618	1.8
204.09355	0.7
205.06520	1.2
205.10194	1.3
206.07278	2.6
206.10928	1.5
207.08038	0.7
207.11720	0.5
207.13776	1.1
207.37120	0.4
208.08820	1.4
215.08574	7.5
216.09367	12.4
217.10146	3.0
218.07309	1.5
219.08096	14.0
219.11583	0.8
220.08817	1.8
221.09663	8.5
221.13141	3.1
228.08995	0.4
229.10187	1.4
230.10747	0.6
231.11757	8.6
231.13739	0.6
232.08864	2.6
233.09621	9.4
234.06647	1.4
234.10414	48.7
235.10832	1.4
247.11249	1.9
248.11906	0.5
249.09312	3.7
249.12775	100.0
249.14842	6.4
250.13115	2.1
267.09033	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	249.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18393	0.3
55.05504	1.0
56.96569	2.3
57.07097	0.3
57.65540	0.4
59.05015	0.4
67.05517	1.8
69.03432	1.0
69.07063	1.1
70.09171	1.0
71.05002	0.7
71.95287	0.3
79.05499	1.7
81.03424	0.3
81.07069	1.9
83.04976	0.3
83.08608	0.5
84.96036	0.6
85.02921	0.5
85.06506	0.4
91.05486	2.0
93.07056	2.4
95.04976	2.5
95.08599	1.3
98.97598	7.2
105.07030	2.6
107.04962	0.9
107.08611	3.5
109.10175	1.6
111.08058	0.5
112.99152	1.3
116.98631	3.1
117.07023	0.6
119.04942	0.4
119.08616	2.5
121.06511	0.8
121.10147	1.1
123.04465	0.7
123.08109	0.5
123.11666	0.4
129.07002	1.1
131.00185	1.1
131.08583	0.8
133.06552	0.5
133.10155	1.4
134.99631	0.6
135.08029	0.3
135.11702	2.0
137.05957	0.4
137.09613	1.7
140.00230	0.5
143.08617	0.3
145.02963	0.4
145.10130	0.4
147.08047	0.5
147.11708	0.7
149.01248	0.9
153.09113	0.4
158.01152	0.3
158.99687	2.0
159.08054	0.5
161.06015	0.5
161.09642	0.6
165.07042	0.8
171.11920	0.3
173.01251	2.4
175.14859	1.8
177.00728	1.8
178.07813	1.1
179.08585	1.2
187.07538	0.3
189.05443	0.4
189.07028	0.4
189.09143	0.6
190.07753	0.7
191.02231	1.3
191.08539	2.4
192.09264	0.5
193.10214	0.7
197.10097	0.6
201.00745	0.5
201.06943	0.4
202.07849	1.6
202.98694	1.2
203.05972	0.3
203.08575	1.0
203.14415	0.4
205.06508	1.1
205.10179	2.6
206.07327	1.1
206.10797	2.0
207.11772	0.4
207.13675	0.6
210.53444	0.3
215.08591	1.0
216.09322	1.9
217.10121	2.0
218.07321	4.3
219.01822	0.4
219.08093	10.8
219.11562	0.6
220.08751	0.5
221.09721	1.4
221.13213	1.8
226.61862	0.3
231.11823	2.3
231.13820	0.6
232.08870	0.8
233.09653	9.2
234.06702	0.8
234.10390	11.1
244.99568	1.4
247.11218	1.1
248.11812	0.6
249.12787	100.0
250.13036	2.4
251.90547	0.3
260.62292	0.3
267.09003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09798	0.3
63.22743	0.3
69.03436	0.4
69.84713	0.3
69.85036	1.6
79.05476	0.6
81.07055	0.4
91.05467	0.7
93.07031	0.4
95.04942	0.4
95.08598	0.3
98.97628	0.3
104.99259	0.3
105.07001	0.3
109.06455	0.3
119.08624	0.3
121.06507	0.5
121.10040	0.3
129.07001	0.5
137.06047	0.3
138.06374	0.3
165.06978	0.7
178.07811	0.5
179.08572	1.8
180.09193	0.3
190.07698	0.5
191.08553	1.3
192.09329	0.6
193.10135	0.8
202.07780	1.9
203.08546	2.3
205.06438	0.3
205.10121	1.3
206.07216	0.7
206.10963	1.7
207.08162	0.4
207.11678	0.7
208.08838	1.8
215.08582	6.5
216.09366	11.5
217.10152	3.2
218.07364	0.9
219.08072	14.0
219.11485	0.6
220.08792	1.6
221.09695	5.6
221.13223	3.0
229.10211	1.4
230.10973	0.4
231.08255	0.4
231.11705	8.7
231.13885	0.6
232.08792	1.7
233.09625	9.2
234.10417	50.0
235.10788	1.4
240.24025	0.3
247.11172	2.0
248.11850	0.4
249.12775	100.0
250.13109	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	249.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.96561	1.9
67.05503	1.2
69.03430	2.1
69.29018	4.3
70.76295	0.7
79.05484	1.3
91.05470	1.3
95.05001	1.1
95.08633	1.1
98.97583	0.8
105.07034	1.2
105.21099	0.6
107.04981	0.8
107.08591	1.1
109.06529	0.7
116.98626	0.7
119.08593	0.9
121.06525	0.8
131.08424	0.7
135.55887	0.6
165.07033	0.9
178.07802	2.0
179.08611	4.2
180.09367	0.9
182.90698	0.6
189.06987	1.2
190.07796	3.6
191.08554	7.2
192.09291	2.5
193.10147	3.7
202.07835	1.7
203.08571	2.2
204.09378	0.6
205.06532	3.6
205.10126	10.8
206.07243	3.2
206.10910	9.0
207.08105	0.9
207.11679	2.2
208.08864	0.8
215.08559	8.8
216.09352	29.1
217.10143	4.7
218.07281	4.6
219.08061	45.0
219.11610	1.7
220.08810	6.6
221.06119	0.7
221.09755	7.3
221.13235	15.5
222.10349	1.5
226.53763	0.6
229.07652	1.2
230.11024	0.6
231.11708	25.1
231.13582	0.9
232.08847	3.3
232.12355	0.8
233.09615	13.9
234.06985	6.6
234.10410	68.9
234.14151	2.0
235.07573	4.8
235.10840	1.8
247.11198	1.9
247.43155	0.6
248.11649	0.8
249.09239	7.8
249.12769	100.0
250.09953	7.4
250.13080	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	249.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23925	0.4
56.96573	32.0
57.51359	0.4
59.43615	0.4
62.53886	0.4
63.68693	0.4
67.02097	0.4
67.05495	1.1
68.81385	0.4
69.07043	0.4
71.55429	0.7
71.95280	2.7
72.96041	1.0
74.97639	0.6
79.05509	1.0
81.07061	0.8
84.96017	1.3
91.05473	0.6
93.07040	0.5
95.04939	0.8
95.08598	0.5
96.98400	5.4
97.99184	0.9
98.97598	0.5
105.07045	0.6
107.08579	1.1
109.06532	0.5
109.10143	0.8
109.99172	0.9
111.04428	0.5
114.99467	3.2
119.08602	0.9
121.10057	0.4
123.08063	0.4
128.00195	1.3
133.00487	1.1
133.01807	0.4
137.02739	0.7
137.05992	0.9
137.09644	1.2
139.00714	0.6
141.02179	0.7
146.01257	1.2
147.07999	0.6
159.03346	0.7
160.02711	0.4
161.09583	0.4
169.01801	0.4
178.07809	0.5
179.07265	0.5
183.03340	0.7
184.06473	0.6
185.04880	0.5
193.05417	0.7
203.05858	0.5
207.06857	0.8
208.10077	2.7
210.08046	1.0
211.06473	1.2
211.08746	0.5
215.08603	0.5
216.09305	0.7
219.08095	0.5
221.09576	1.0
224.09625	1.9
226.11176	100.0
227.09535	1.0
227.11539	1.1
234.10381	2.3
242.10660	0.6
244.12245	38.7
245.12602	0.5
249.09132	1.9
249.12804	8.3
249.15034	0.8
249.18471	1.0
249.22234	0.6
267.09076	0.8
267.13864	7.0
267.16577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
55.91183	0.2
56.96566	0.2
61.92160	0.1
64.96348	0.1
67.05502	0.3
69.03423	0.3
69.66132	0.8
69.66541	0.3
79.05480	0.3
81.03423	0.2
91.05509	0.5
95.04959	0.2
105.07054	0.4
107.08554	0.2
115.05441	0.2
121.06509	0.3
129.07019	0.6
133.06421	0.2
141.06995	0.2
153.07037	0.2
161.09525	0.2
165.07025	0.6
166.07768	0.3
167.08568	0.4
171.08151	0.2
178.07782	0.6
179.08566	2.2
180.09259	0.2
189.06985	0.6
190.07797	0.8
191.08522	1.5
192.09286	1.0
193.10168	1.1
201.07002	0.3
202.07776	2.2
203.08546	2.3
204.09335	0.7
205.06528	0.8
205.10135	1.8
206.07248	0.8
206.10898	1.8
207.08099	0.5
207.11714	0.4
208.08815	2.0
209.09573	0.2
215.08583	7.9
216.09358	14.7
217.10117	3.7
218.07251	1.5
219.08066	17.1
219.11607	0.6
220.08806	2.3
220.12436	0.2
221.09653	6.3
221.13199	3.4
228.09378	0.4
229.07829	0.3
229.10120	1.8
230.10878	0.6
231.08029	0.4
231.11703	10.2
232.08833	2.3
232.12326	0.5
233.07228	0.2
233.09631	10.9
234.10408	52.9
235.10808	1.5
247.11205	2.3
248.11868	0.4
249.12761	100.0
250.13098	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	250.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
56.96579	1.2
57.03439	0.6
66.87353	0.3
67.01881	1.3
69.03433	0.7
70.06615	1.3
71.54184	0.5
72.08172	0.5
73.02902	0.3
79.05508	0.7
81.07070	0.5
84.04528	0.3
84.08140	0.4
85.02934	1.6
88.07635	3.4
97.02921	0.7
98.97591	0.7
98.97701	0.7
98.98480	12.9
116.07077	0.4
119.03574	1.0
127.03900	0.3
136.06204	100.0
137.04596	0.7
161.02647	0.4
161.26701	0.3
170.29213	0.4
207.73541	0.3
250.07234	0.7
250.09337	11.7
262.36655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
55.05502	6.4
56.96568	3.8
57.03424	6.4
58.92881	1.4
61.02937	5.5
69.03434	15.9
70.06583	6.8
70.47434	3.2
70.47787	3.6
72.08154	4.0
73.02927	2.7
76.67630	1.6
81.03407	5.2
83.04974	1.5
84.04486	2.0
84.08099	1.6
85.02911	91.9
88.07637	100.0
97.02908	15.3
98.97618	4.2
98.98474	53.2
98.99126	2.7
99.04455	2.8
107.71990	1.5
109.02927	9.1
116.98609	1.5
116.99496	1.5
127.03930	13.2
136.06187	22.4
145.04974	7.7
174.99242	2.0
232.50063	1.7
250.10809	5.0
250.13098	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	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
57.03437	1.1
60.24826	0.5
61.02929	1.3
61.37403	0.5
69.03434	3.3
70.06602	2.7
70.35343	1.9
71.28089	0.4
72.08144	0.8
76.76388	0.5
81.03416	1.1
85.02911	19.2
88.07636	100.0
97.02919	2.6
98.98473	4.4
109.02898	1.8
127.03915	2.6
129.05444	0.6
136.06213	1.0
145.05009	1.5
160.58356	0.5
190.20406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
56.96561	1.1
57.03442	1.3
61.02929	0.9
65.85912	0.5
69.03432	3.2
70.06599	3.4
70.19430	1.7
72.08167	1.0
81.03425	1.2
85.02914	20.9
88.07640	100.0
88.89630	0.5
97.02914	3.1
98.97594	1.0
98.98478	6.3
99.04481	0.7
100.43679	0.5
109.02892	1.8
125.85117	0.4
127.03914	2.6
132.27354	0.5
136.06178	0.9
145.05000	1.6
203.65508	0.5
247.60858	0.4
250.09270	0.5
250.12910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.18
Annotation	Nupharidine
Peak:m/z	Relative Intensity
55.05500	1.1
56.96556	2.8
57.61100	0.9
58.06600	1.4
67.05518	0.9
69.03423	2.4
69.07065	1.6
70.06595	1.9
71.54375	1.3
81.07062	2.4
82.90353	0.8
83.04973	1.0
84.08137	1.2
85.02886	1.3
85.06519	0.9
86.09711	0.9
88.07609	1.1
91.05482	2.6
93.07034	3.0
94.85068	0.8
95.04942	1.1
95.08607	1.4
97.02902	1.2
97.06544	1.0
98.97572	1.7
98.98473	28.8
105.07026	2.6
107.08608	6.6
108.08125	19.0
109.06462	1.4
109.08909	2.5
109.10114	1.1
110.09695	6.8
111.04448	0.9
116.98664	1.4
116.99464	0.8
117.07040	0.9
119.08581	1.9
120.08103	2.8
121.10163	2.1
122.09734	2.2
123.04434	1.0
124.11245	8.0
131.08575	5.6
133.10164	2.3
134.09651	7.5
135.08064	2.0
143.08449	1.0
145.06499	1.0
145.10095	2.6
146.06017	1.1
147.11659	2.7
148.11214	5.2
150.09129	3.2
152.10722	10.2
158.10857	1.9
158.99644	1.3
160.11290	1.6
164.14345	2.3
166.12265	15.4
173.13284	15.2
175.13594	2.8
176.10660	1.9
177.05508	1.1
177.09213	1.5
183.70683	0.9
190.15919	55.9
191.14339	9.1
194.11789	2.7
205.08383	1.2
208.06058	1.8
208.16980	96.7
209.15379	4.9
209.17220	1.5
232.16957	11.6
250.11574	8.3
250.18040	100.0
251.05197	0.9
251.10866	1.3
251.18449	1.5
264.03870	0.9
268.11057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0915
Annotation	(+)-Goniopypyrone
Peak:m/z	Relative Intensity
57.03442	7.8
63.02393	0.5
70.84757	0.4
74.15751	0.4
78.04767	0.6
79.84446	0.4
83.01762	0.4
89.03925	11.1
91.05473	0.7
93.07079	0.4
98.20742	1.0
98.98478	8.9
103.05502	0.7
106.04176	0.4
117.03387	39.1
121.06585	0.6
134.03650	2.9
135.04433	1.4
145.02855	86.9
149.06000	10.6
162.03131	0.7
163.03922	2.4
165.06996	0.8
177.05478	100.0
178.05821	1.1
186.05493	1.1
190.07693	0.8
195.06535	1.4
195.08076	1.1
205.10112	0.8
207.07982	0.8
208.08894	4.0
223.11218	3.2
241.11995	0.5
251.09044	74.3
252.09512	0.7
269.12070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67402	0.8
55.01869	1.3
56.96561	2.1
57.07054	1.0
59.05004	1.8
60.64616	0.9
67.05499	1.3
69.03428	2.0
69.07048	2.1
71.50623	1.3
79.05484	2.2
81.03458	1.0
81.07045	1.9
81.55219	0.9
82.38280	0.8
83.04956	1.3
83.49422	0.9
91.05484	3.4
93.07052	1.3
95.04977	1.4
95.08615	2.2
97.06550	1.2
98.98469	100.0
103.05452	1.0
104.11768	0.9
105.07034	4.1
105.84012	0.9
107.08603	1.8
109.06509	1.3
109.10161	1.4
115.05465	2.8
116.99520	1.5
117.07018	3.0
121.06525	1.6
121.10111	2.1
123.08077	1.7
128.06212	7.5
129.07008	22.9
131.04900	4.2
131.08557	5.6
133.06505	1.2
133.10185	1.5
141.06979	2.0
143.08562	1.3
144.05693	6.4
145.02855	1.7
145.06490	4.6
145.10136	1.2
146.07248	4.3
147.08057	1.4
149.05876	1.2
149.09601	1.0
155.04938	7.7
155.06020	1.6
157.06523	6.9
158.07278	6.6
159.04446	2.3
159.08046	1.7
160.05203	4.3
161.05923	2.0
161.09570	2.5
165.07060	2.0
171.08020	1.4
172.05182	7.6
173.06015	3.5
174.06770	39.1
174.99237	2.4
175.07526	13.1
177.05469	4.4
179.08566	1.9
180.09300	1.2
181.10132	1.3
183.04456	2.1
187.07553	27.4
187.35669	0.9
188.08324	1.4
189.07391	2.1
189.09103	30.6
190.07788	3.0
191.08566	7.9
192.09373	1.6
193.10197	1.3
195.08073	2.9
195.11729	1.2
196.08786	1.5
201.05493	2.9
203.06981	2.7
203.08636	1.7
205.04970	6.3
205.08502	1.1
207.08041	2.2
207.11662	1.3
208.08864	4.0
209.09676	6.3
210.10458	1.7
215.07016	17.1
218.07205	1.1
219.08122	3.7
220.08876	1.0
221.09579	7.3
222.10352	6.5
223.11229	3.8
233.08084	68.8
233.13196	2.7
234.08408	1.4
236.08255	3.4
236.11913	9.0
251.06894	2.3
251.10852	8.4
251.14346	31.4
251.16309	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	251.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67402	0.8
55.01869	1.3
56.96561	2.1
57.07054	1.0
59.05004	1.8
60.64616	0.9
67.05499	1.3
69.03428	2.0
69.07048	2.1
71.50623	1.3
79.05484	2.2
81.03458	1.0
81.07045	1.9
81.55219	0.9
82.38280	0.8
83.04956	1.3
83.49422	0.9
91.05484	3.4
93.07052	1.3
95.04977	1.4
95.08615	2.2
97.06550	1.2
98.98469	100.0
103.05452	1.0
104.11768	0.9
105.07034	4.1
105.84012	0.9
107.08603	1.8
109.06509	1.3
109.10161	1.4
115.05465	2.8
116.99520	1.5
117.07018	3.0
121.06525	1.6
121.10111	2.1
123.08077	1.7
128.06212	7.5
129.07008	22.9
131.04900	4.2
131.08557	5.6
133.06505	1.2
133.10185	1.5
141.06979	2.0
143.08562	1.3
144.05693	6.4
145.02855	1.7
145.06490	4.6
145.10136	1.2
146.07248	4.3
147.08057	1.4
149.05876	1.2
149.09601	1.0
155.04938	7.7
155.06020	1.6
157.06523	6.9
158.07278	6.6
159.04446	2.3
159.08046	1.7
160.05203	4.3
161.05923	2.0
161.09570	2.5
165.07060	2.0
171.08020	1.4
172.05182	7.6
173.06015	3.5
174.06770	39.1
174.99237	2.4
175.07526	13.1
177.05469	4.4
179.08566	1.9
180.09300	1.2
181.10132	1.3
183.04456	2.1
187.07553	27.4
187.35669	0.9
188.08324	1.4
189.07391	2.1
189.09103	30.6
190.07788	3.0
191.08566	7.9
192.09373	1.6
193.10197	1.3
195.08073	2.9
195.11729	1.2
196.08786	1.5
201.05493	2.9
203.06981	2.7
203.08636	1.7
205.04970	6.3
205.08502	1.1
207.08041	2.2
207.11662	1.3
208.08864	4.0
209.09676	6.3
210.10458	1.7
215.07016	17.1
218.07205	1.1
219.08122	3.7
220.08876	1.0
221.09579	7.3
222.10352	6.5
223.11229	3.8
233.08084	68.8
233.13196	2.7
234.08408	1.4
236.08255	3.4
236.11913	9.0
251.06894	2.3
251.10852	8.4
251.14346	31.4
251.16309	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	251.1069
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
51.42098	0.4
55.05512	0.6
56.96566	0.9
58.18012	0.3
67.05521	0.6
69.03429	0.7
69.07081	0.4
71.05001	0.5
71.55583	0.5
79.05482	0.8
81.07066	0.8
93.07047	0.7
95.08583	0.4
98.98475	48.7
105.07054	0.6
107.08589	0.8
116.99506	0.8
117.03437	0.5
118.06496	0.4
125.06068	0.4
131.08510	0.4
145.02834	1.1
165.07010	0.5
174.99223	1.5
177.05502	2.1
179.08543	0.8
181.06511	1.7
189.07135	0.7
190.07735	1.3
191.08566	0.9
192.64920	0.4
193.10298	0.5
194.07304	0.9
195.08076	1.5
195.11758	0.6
203.08595	0.7
205.06473	0.5
205.10178	3.0
207.08072	2.4
208.08839	3.7
209.09660	1.1
215.08681	0.9
218.07291	12.0
219.08076	10.8
220.08652	0.5
221.06023	0.7
222.06615	0.7
222.10193	0.6
223.11177	10.7
231.08168	0.5
232.08777	0.8
233.09650	8.8
234.06749	2.5
234.10181	0.9
235.07541	18.6
236.08337	57.1
237.08858	1.9
249.09120	1.5
250.09587	1.0
251.10693	100.0
252.10982	2.4
261.10342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.05533	0.5
56.96569	1.4
59.05003	0.4
63.49948	0.4
67.05499	0.8
69.03419	0.8
71.09659	0.9
77.34336	0.5
79.05505	1.1
81.07066	0.9
82.19360	0.4
91.05476	1.6
93.07039	0.9
95.04991	0.8
95.08616	0.6
97.06503	0.6
98.98477	72.6
103.05486	0.4
105.07048	1.0
107.08620	1.0
107.30593	0.4
109.06522	0.5
109.10210	1.1
115.05486	1.0
116.99517	1.9
117.03352	0.6
117.06980	0.6
119.08585	1.0
121.06512	0.8
121.10146	0.7
123.08084	0.5
131.08572	0.8
133.10182	0.5
141.07019	0.7
142.55675	0.5
145.02881	1.2
145.06505	1.6
145.10054	0.7
152.06203	0.6
153.07018	1.5
158.07317	2.1
165.07021	7.1
166.07761	1.4
167.08611	3.3
174.99208	2.7
177.05544	1.3
178.07745	1.2
179.08539	5.1
180.09355	6.1
181.06497	1.7
181.10094	1.0
182.07344	1.2
189.07007	1.2
190.07808	7.0
191.08627	2.3
193.10240	1.2
194.07326	0.6
194.11078	0.5
195.08101	8.7
195.11716	4.6
203.08664	1.0
204.09393	0.7
205.10146	8.5
207.08066	8.6
208.08856	36.6
209.09386	1.0
209.13345	1.0
218.10957	0.5
221.09653	0.7
221.13269	0.7
222.10283	0.8
223.11194	28.4
229.07526	0.8
233.09589	1.2
233.11678	0.6
236.08328	1.7
238.09894	0.7
241.12231	2.8
251.10707	100.0
251.17905	1.9
252.10962	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	251.1069
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
53.50008	0.5
55.05491	0.6
55.49807	0.5
56.42714	0.5
56.96548	1.2
57.07067	0.7
61.45422	0.5
67.05492	1.2
69.03403	0.8
69.07065	0.9
71.04977	1.2
74.91211	0.5
79.05470	0.9
81.07035	1.2
90.96315	0.5
91.05463	1.3
93.07005	1.0
95.08607	1.0
98.20725	1.4
98.98476	60.5
107.08558	1.1
109.06499	0.9
109.10143	0.8
112.81642	0.5
116.99480	1.5
119.08540	0.6
121.10123	1.0
125.05929	0.7
153.07010	1.2
155.08521	1.6
163.11174	0.9
165.07019	12.3
166.07784	1.3
167.08527	2.3
174.99226	1.6
177.07001	0.6
178.07729	1.0
179.08592	4.3
180.09349	11.5
181.06494	0.7
181.10095	1.5
189.06985	5.8
190.07782	20.8
191.08546	3.0
193.06505	0.5
193.10184	0.8
194.10910	1.0
195.07971	1.9
195.09903	1.1
195.11713	21.9
195.53741	0.5
202.07709	0.9
203.08549	1.7
204.09300	1.1
205.10152	27.1
206.10637	1.0
207.08075	4.3
208.08852	57.6
209.09546	3.7
209.13144	0.8
211.07623	0.9
215.08554	1.3
218.07268	6.2
219.08046	2.8
221.06015	1.6
221.13176	1.1
222.06758	0.8
223.11191	69.2
224.11490	1.9
233.09541	6.1
235.07460	3.3
235.11136	0.7
236.08311	16.2
237.09117	9.4
251.10692	100.0
251.18185	2.6
252.11440	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	251.1071
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
55.01872	1.3
57.01863	0.5
61.06418	0.5
69.03427	1.6
69.43601	1.4
69.44009	2.3
71.67561	0.4
94.30904	0.5
98.20779	1.0
98.98479	17.3
98.99131	1.1
145.02806	0.6
165.07054	3.2
166.07784	0.9
167.08591	1.1
178.07820	2.0
179.08554	6.0
180.09206	0.6
181.06491	4.8
182.07323	0.9
189.06993	5.8
190.07768	5.3
191.08572	1.1
193.10245	0.7
194.07294	2.4
195.08086	11.9
195.11819	0.6
201.07133	0.5
203.08629	1.3
205.06541	2.8
205.10155	4.9
206.07303	7.5
207.08066	63.8
208.08907	7.5
209.09610	2.8
215.08640	2.6
216.09367	0.7
218.07291	72.7
219.08034	11.6
220.08765	0.7
221.06082	4.7
221.09612	8.8
222.06778	3.9
222.10332	0.8
223.07509	2.0
223.11249	9.5
232.08812	1.7
233.09637	62.1
234.06790	3.6
234.10020	1.5
235.07533	15.2
236.08324	39.6
237.08748	0.9
249.09166	2.8
251.10680	100.0
252.11090	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	251.1069
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
53.03482	0.5
55.01857	1.3
55.05500	1.1
56.96555	1.1
57.03441	0.8
67.05487	0.8
69.03429	3.1
69.07070	0.6
69.37200	3.4
71.04975	0.6
79.05482	1.1
81.07046	1.2
91.05476	1.1
93.07037	0.8
95.04958	0.6
95.08597	0.7
97.06491	0.8
98.20814	1.2
98.98475	45.1
105.07043	0.6
107.08561	0.8
109.06515	0.9
109.10113	0.9
117.03368	2.0
122.95786	0.5
136.07518	0.7
145.02838	2.8
149.09552	0.7
165.06975	1.3
167.08585	1.0
174.99205	1.6
177.05527	4.6
177.06937	0.9
179.08514	1.6
180.09283	0.5
181.06488	3.7
182.07262	1.0
190.07825	2.8
191.08467	0.9
193.10056	0.7
194.07248	2.3
195.08060	3.9
195.11603	1.3
203.08554	0.9
205.06523	2.2
205.10138	3.7
206.07256	0.6
207.08180	2.8
208.08826	7.7
209.09521	1.7
215.08655	1.2
218.07278	9.8
219.08073	4.7
221.06004	16.6
221.09364	0.9
222.06773	16.3
223.07587	9.4
223.11191	11.2
232.08771	0.6
233.07556	0.9
233.09662	7.8
234.06699	1.0
234.10147	0.8
235.07568	6.3
236.08336	42.5
237.08665	1.4
241.19495	0.6
251.10611	100.0
251.12566	10.3
252.10928	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
56.96557	2.6
57.03430	3.2
63.11407	0.7
64.84728	0.8
67.05489	2.8
68.58469	0.7
69.03416	2.8
69.07096	1.0
70.92950	0.7
71.04986	1.6
71.34172	0.9
71.34521	1.0
79.05492	2.0
81.03427	0.9
81.06999	1.7
83.04935	1.2
89.03917	4.1
91.05466	2.6
93.07014	2.6
95.05002	1.6
95.08601	3.2
97.06510	1.7
98.98470	100.0
105.07040	2.2
107.08562	1.2
109.06506	3.2
109.10130	1.3
116.98615	1.1
116.99471	2.0
117.03383	12.7
117.07033	1.2
119.08556	1.3
121.06483	0.8
121.10141	1.6
123.08090	1.1
129.07004	1.1
131.08580	0.8
133.10207	1.0
140.01089	0.8
145.02843	30.6
145.06386	1.1
145.10117	0.9
149.01323	1.0
149.05986	4.1
154.30750	0.7
162.03069	1.0
162.99077	0.9
163.11301	1.1
165.06990	1.9
174.99216	2.3
177.05486	36.3
179.08629	0.9
190.07790	1.6
195.08160	3.8
205.06422	1.1
205.10176	1.8
207.08061	2.6
208.08850	6.0
218.07326	6.2
219.08118	3.8
221.05984	10.9
222.06757	10.6
223.07561	7.7
223.11147	5.4
233.09746	6.1
233.15228	1.5
235.07489	5.0
236.08334	31.0
246.20648	0.8
250.59854	2.1
251.10559	41.7
251.12839	93.1
251.16612	4.3
252.10927	2.2
269.12387	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	251.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70758	0.4
55.05513	1.2
56.96564	2.1
57.03441	0.5
57.43119	0.5
59.05008	0.6
63.76817	0.4
67.05505	2.2
69.07080	0.7
70.06612	0.6
71.55515	0.9
77.01599	0.8
79.05501	1.7
81.03477	0.5
81.07072	2.5
83.05003	0.6
83.08649	0.6
84.04496	0.7
84.71313	0.6
91.05486	1.7
93.07059	2.1
95.04977	1.0
95.08613	2.7
97.06536	1.5
98.98475	100.0
105.07050	1.3
107.08611	1.7
109.06531	0.7
109.10175	1.2
111.04465	0.6
116.98682	0.6
116.99528	1.4
117.03381	0.6
117.07034	0.5
117.09070	0.5
119.08626	1.5
121.06544	1.0
121.10163	1.4
123.08093	0.9
125.09615	0.6
129.07002	0.7
131.08583	1.0
133.06540	0.8
133.10118	0.7
135.11665	0.5
136.07672	0.5
145.02829	1.4
145.06447	1.3
145.10146	0.7
147.11755	0.5
149.09613	0.6
155.08585	0.5
159.11694	0.6
161.06068	0.6
163.11302	0.6
165.07007	1.5
166.07692	0.5
173.13292	0.6
174.06651	0.6
174.99220	2.4
177.05469	2.6
187.14792	0.5
195.08098	1.7
195.11761	0.8
207.08150	1.1
208.08830	4.7
209.09634	1.0
218.07288	0.7
219.08044	0.5
221.09540	0.7
223.07599	0.5
223.11234	2.0
229.07535	0.8
233.15488	1.4
236.08286	2.3
236.11986	0.7
247.08554	0.6
251.06885	0.6
251.10597	10.0
251.12630	31.9
251.16589	2.0
251.19937	0.9
269.12344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03934	0.7
54.19011	0.5
55.01858	0.7
55.05513	7.2
56.96575	3.4
57.03418	0.7
57.07069	1.1
59.04989	1.0
59.53167	0.6
60.25349	0.5
67.05499	3.5
69.03439	1.7
69.07075	10.5
71.04997	1.3
71.55026	0.8
72.08121	0.6
79.05503	6.0
81.03409	1.1
81.07059	7.2
83.04988	11.5
83.08618	1.3
85.02902	0.9
87.06445	0.6
91.05486	4.4
93.07048	24.0
95.04968	2.2
95.08604	5.8
97.02897	1.0
97.06532	2.5
98.98473	71.9
103.05461	0.8
105.07040	6.4
107.04962	0.7
107.08607	5.9
107.56527	0.6
109.02876	0.7
109.06488	3.7
109.10178	1.3
111.04447	11.4
111.11723	3.4
115.05450	0.8
116.99474	1.0
117.03418	0.7
117.06979	1.6
119.08595	3.3
121.06503	1.4
121.10153	39.7
123.08068	2.2
123.11736	1.0
125.06009	1.7
125.09629	2.0
127.03926	0.6
131.00145	1.3
131.08578	1.7
133.10123	0.8
135.08028	1.3
139.11160	2.2
145.02837	1.5
145.06543	0.6
145.10129	1.7
147.08096	0.6
147.11690	1.1
149.01190	0.9
149.09630	15.8
159.11630	0.7
165.07016	1.0
167.10690	100.0
168.10985	0.7
173.06039	0.6
173.09680	0.7
174.99207	2.0
175.11211	1.5
177.05495	1.8
177.06932	1.0
177.09190	1.1
190.15797	0.6
193.12196	1.0
195.08070	1.7
205.06479	0.6
207.08051	0.8
208.08835	1.3
209.15266	0.8
220.08514	0.7
222.10542	0.7
223.07541	1.2
223.11211	1.8
223.14870	0.6
229.07385	1.1
233.08054	1.1
233.15363	1.6
236.08261	2.0
247.08545	0.7
251.06949	2.0
251.08759	0.8
251.10933	4.7
251.14325	0.6
251.16383	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	251.1645
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
51.25375	1.2
53.03949	1.8
55.05509	7.3
56.96561	3.2
57.07087	7.7
59.04988	4.3
67.05510	11.1
69.03433	10.1
69.07085	8.6
69.07391	1.9
70.50356	3.1
70.50726	3.6
71.05000	50.0
71.08643	2.0
79.05500	10.9
81.07068	11.2
83.04986	11.5
83.08613	5.6
85.06539	6.7
91.05490	11.0
93.07055	13.3
95.04984	13.5
95.08604	13.8
97.06541	11.9
98.93622	1.7
98.97618	3.9
98.98476	100.0
99.04463	1.7
99.08073	2.4
105.07039	11.5
107.04948	2.8
107.08601	14.5
109.06523	7.4
109.10162	13.7
111.08076	5.8
113.06004	6.9
113.09560	1.8
117.07021	3.4
119.08591	23.0
121.06519	4.8
121.10172	19.5
122.07297	1.9
123.08076	10.9
123.11711	4.9
125.06003	22.2
129.07043	2.7
129.09088	1.7
131.08582	7.6
133.10129	4.8
135.08040	4.0
135.11705	5.5
137.09627	29.1
143.00104	1.8
145.10141	14.3
147.06940	2.9
147.08061	35.5
147.11705	5.7
149.09625	11.2
149.13332	1.7
151.07596	7.4
151.11211	2.3
151.14792	3.1
155.10698	3.0
157.10072	2.5
161.09605	2.0
161.13252	2.9
163.11197	47.5
165.09201	2.5
171.11714	1.6
173.09631	2.9
173.13271	4.4
174.99176	2.4
175.11220	8.6
177.05508	1.6
177.09123	2.7
178.07693	1.9
179.14317	20.2
181.06543	1.7
181.12259	16.9
187.14801	4.8
189.12744	2.1
191.14296	4.1
193.12238	2.7
195.08369	1.6
195.10156	3.2
196.08626	2.9
205.15881	5.0
207.13802	4.5
208.08870	4.9
215.14311	7.7
218.07344	3.3
221.09540	1.5
223.11226	3.2
230.08162	2.4
233.09622	3.0
233.11752	2.3
233.15395	35.3
236.08295	11.4
248.48074	1.6
251.06924	2.0
251.10660	25.0
251.12584	3.4
251.16447	66.7
269.12439	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.087
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
51.07958	0.6
55.01865	0.7
55.05518	4.5
56.96568	5.4
57.03434	1.4
57.07071	1.1
61.02919	0.9
66.06057	0.5
67.05508	1.0
69.03436	1.0
69.07055	1.7
70.02969	0.9
70.06586	0.8
71.01355	0.7
71.55074	0.8
73.02909	0.7
79.05495	1.7
81.03432	1.4
81.07072	1.3
83.08623	1.6
84.08144	0.9
85.02914	1.0
86.09720	0.8
87.00832	2.9
91.05491	1.1
93.07071	3.6
95.04981	1.2
95.08629	1.0
97.02906	3.1
97.06495	0.7
98.97600	2.9
98.98481	14.6
100.99207	0.6
101.02391	0.7
103.05487	7.3
105.03395	1.9
105.07030	0.8
107.04943	1.1
107.08608	1.0
110.01308	0.7
110.97593	0.8
112.99129	1.0
116.98619	1.6
118.06564	9.7
119.01809	2.0
120.08118	100.0
121.08485	0.8
123.08067	0.7
128.05013	1.4
128.98605	0.8
131.00169	2.7
136.06216	1.1
143.00179	1.1
143.05379	0.7
143.08284	0.5
146.06024	20.5
147.03122	1.6
149.01245	4.5
149.05952	0.5
156.03603	3.6
158.99675	1.6
166.08681	1.6
167.02280	1.2
171.06787	2.4
177.00781	1.0
180.07217	2.7
186.99207	0.5
188.07085	18.0
190.76357	0.6
192.06631	0.8
193.12318	0.6
197.04958	0.7
201.04439	0.6
206.08150	58.7
209.09464	0.6
216.08276	0.8
219.01848	1.8
230.08087	0.6
232.07898	1.4
234.07677	1.6
237.02834	1.6
241.07442	0.6
252.09267	6.7
252.11349	1.0
252.16234	0.9
252.23317	0.8
257.07059	0.9
267.09006	0.9
271.08759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.4
51.02378	0.5
53.00296	0.3
53.03952	4.3
54.05268	0.2
55.01869	0.3
56.05057	0.6
56.96572	2.3
59.92917	0.2
67.05505	0.5
69.03439	0.6
69.07056	0.2
70.06596	0.3
71.54655	0.2
72.08163	0.3
73.02975	0.2
75.78173	0.2
77.03929	1.0
81.03416	0.7
81.07074	0.6
84.04516	12.5
84.08141	0.3
84.96013	0.3
85.02925	0.9
85.07674	0.4
86.09731	0.6
88.04004	0.3
90.64196	0.3
91.05489	1.1
93.07040	0.3
93.44724	0.3
94.06605	0.2
95.04980	4.8
97.02916	0.4
98.97612	1.0
98.98479	9.0
100.41502	0.2
102.05553	3.2
105.03404	100.0
105.04558	2.6
106.03752	0.7
107.04974	0.5
109.02914	0.3
116.98608	0.4
120.08139	0.6
121.08456	0.8
122.22291	0.2
130.05022	7.3
136.06204	4.4
136.08665	0.6
137.09499	0.6
140.07008	0.2
149.00592	1.1
149.02786	0.3
149.10732	0.5
151.11113	0.4
151.12291	0.6
153.20595	0.2
157.53944	0.3
158.99757	0.3
161.01227	0.3
166.03270	0.4
179.08546	0.2
179.54453	0.4
183.13742	0.2
188.54924	0.5
192.06555	0.3
192.99597	0.4
205.98874	0.3
206.08221	1.1
207.08051	0.5
220.02379	0.3
223.13210	0.4
234.07837	1.4
234.13481	0.4
237.09071	0.4
243.01750	0.3
251.56581	0.5
252.08659	1.4
252.12088	0.4
252.14645	1.2
252.17126	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	253.1187
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
52.46727	0.6
55.05509	0.7
56.96566	4.1
57.03433	1.2
57.07076	1.4
60.04531	61.6
67.05512	1.7
69.03437	2.7
69.07078	1.6
69.39766	0.9
70.02941	0.7
70.06589	3.3
71.05004	1.0
71.17753	1.2
71.32584	0.9
72.08149	2.6
75.04465	1.6
79.05484	1.1
81.03438	0.9
81.07068	1.8
84.04504	1.1
84.08150	2.0
84.96049	0.8
85.02900	1.4
86.09709	1.1
87.05612	2.2
91.05492	2.1
93.07027	1.3
95.04981	1.2
95.08629	1.5
96.42390	0.7
97.02909	1.5
98.97509	2.8
98.98478	100.0
100.98898	1.1
103.03941	0.8
103.05492	3.5
105.07049	2.5
107.04977	2.2
109.06485	0.8
109.10181	1.0
110.07182	1.4
116.98614	1.9
116.99535	2.3
119.05040	0.9
120.08122	98.2
124.03949	4.8
125.04327	3.1
131.04965	2.9
132.08058	1.3
136.07611	1.3
141.05481	1.7
143.47789	0.8
143.99553	3.2
144.08115	2.2
149.06010	2.2
156.03192	0.9
159.02864	1.5
160.07521	0.7
162.09169	2.4
166.08662	61.7
174.99277	1.9
176.98947	1.4
197.11842	2.8
207.11307	14.2
208.08545	0.7
219.05147	2.4
230.03264	2.7
230.59712	1.2
235.10796	3.4
253.09383	1.8
253.11874	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	253.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19604	0.6
55.01882	0.8
55.05507	0.9
56.96577	4.5
57.07084	1.2
67.05521	2.1
69.03448	0.6
69.07074	1.2
71.04999	0.8
71.36966	0.7
74.28180	0.5
79.05521	1.0
81.07076	2.1
83.04963	0.5
90.32957	0.5
91.05496	1.1
93.07063	0.7
95.08625	1.5
98.98476	72.6
100.98890	0.6
105.07043	2.2
107.08604	1.0
109.10183	1.7
116.99547	1.2
120.04481	0.6
129.07013	1.2
133.10158	1.4
134.09682	5.2
135.10013	2.1
140.01118	1.2
142.07838	0.7
143.08571	1.0
151.11205	0.7
155.08592	2.2
165.07037	1.8
166.07835	0.8
167.08595	1.9
169.10175	2.2
171.11659	0.6
174.30034	0.5
174.99266	1.4
176.32614	0.6
176.98955	1.1
178.07822	1.3
179.08569	4.3
181.06516	1.9
181.10130	1.2
182.07326	1.8
182.10892	1.1
183.11737	1.1
190.07771	0.9
191.08575	6.3
192.09357	33.7
193.10136	0.9
195.08083	16.1
195.11757	1.4
196.08812	2.8
197.09639	6.6
197.11491	1.1
197.13240	3.7
205.10168	1.9
206.10901	0.7
207.11719	27.0
208.08897	2.5
209.09622	4.2
210.10419	36.2
211.57675	1.7
212.02261	1.3
223.11211	4.5
224.11841	0.6
225.12761	100.0
226.13145	1.2
230.03320	1.1
232.09068	1.0
235.03882	0.7
246.14850	1.0
253.08669	6.2
253.12241	15.0
253.14455	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	253.1225
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
51.20057	0.4
51.67279	0.4
53.03953	0.4
55.01869	1.0
55.05512	0.8
56.96567	1.4
57.03427	0.5
64.68075	0.4
67.05518	3.5
69.03426	0.6
69.07050	1.4
71.04992	0.7
71.54970	0.7
79.05486	1.9
81.07056	3.2
83.04987	0.8
83.08601	0.5
89.37981	0.4
91.05479	2.7
93.07040	1.4
95.04967	1.4
95.08643	2.3
97.06501	0.7
98.98473	46.0
100.98884	0.9
105.07056	2.4
107.08570	1.3
109.10164	1.8
116.99465	0.9
117.07030	0.8
119.08581	1.0
121.05621	0.4
121.06478	2.6
128.06168	0.5
133.10129	2.7
134.64160	0.5
140.01057	0.5
141.05478	0.5
141.07013	1.0
143.08566	0.8
145.06480	2.5
146.07295	0.4
147.08038	0.4
153.06960	1.2
155.08563	0.9
158.07268	0.7
165.06934	1.3
166.07770	0.4
167.08591	1.5
169.10114	0.8
171.08047	1.7
174.99182	0.7
176.98950	0.7
178.07776	1.3
179.08539	1.9
179.10602	0.5
181.06480	2.1
181.10159	0.7
182.07253	1.2
183.08063	1.9
183.11729	0.8
191.08545	0.9
192.09322	1.9
193.10199	0.8
194.07259	0.6
195.08078	6.0
196.08878	3.0
197.09622	2.3
197.11537	0.7
202.07802	0.5
203.08354	0.5
205.06557	1.0
207.08118	1.6
207.11691	1.8
208.08769	0.7
209.09593	1.6
210.06749	0.6
210.10411	3.1
211.07545	0.7
211.11169	1.2
219.08011	1.0
220.08865	2.3
221.09615	0.5
223.07570	2.6
224.08389	1.4
225.09114	1.8
225.12737	1.4
226.09113	0.5
229.07513	0.5
230.07816	1.9
235.07501	1.6
235.11230	2.4
237.09015	1.5
238.09959	3.2
248.08736	0.8
251.10623	1.4
253.08661	6.2
253.12242	100.0
254.12660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05499	0.7
56.96555	0.9
57.03449	0.4
57.07068	0.5
59.14580	0.4
67.05508	2.8
69.03421	1.2
69.07060	1.0
79.05482	1.6
81.07058	2.4
83.04967	0.6
86.27003	0.4
91.05478	2.3
93.07037	1.3
95.04976	0.9
95.08618	2.0
97.06532	0.7
98.98474	41.4
100.98871	0.4
105.07031	1.6
107.08588	1.0
109.06513	0.4
109.10194	1.8
115.05511	0.5
115.54771	0.4
116.99483	0.6
117.07011	0.8
117.61407	0.4
118.73080	0.4
119.08639	0.5
121.06519	2.6
121.10110	0.4
122.32714	0.4
123.11747	0.5
129.06978	0.7
131.08554	0.6
133.10124	1.6
134.34413	0.4
140.01021	0.5
141.06956	0.6
141.69511	0.3
143.08557	0.4
145.06462	1.8
146.07234	0.4
147.08122	0.4
151.11224	0.9
153.07019	0.8
155.08562	0.8
158.07361	0.6
163.03886	0.4
165.07042	1.6
166.07805	0.6
167.08510	1.3
168.09447	0.7
169.10208	0.5
171.08063	2.4
174.99220	0.8
176.99011	0.7
178.07823	0.9
179.08562	1.0
179.10817	0.4
181.06511	2.1
182.07275	1.2
183.08005	1.0
191.08562	1.1
192.09354	1.6
193.10138	0.8
195.08075	5.4
196.08838	2.9
197.09599	1.3
197.11613	0.7
197.13310	0.4
198.10342	0.5
205.06508	0.8
207.08014	0.9
207.11662	1.2
208.08870	0.6
209.09709	1.8
210.06801	0.5
210.10468	2.8
211.07564	0.9
211.11217	1.5
211.14835	0.4
219.08070	1.0
220.08815	2.0
221.09689	0.6
223.07529	3.0
224.08296	0.7
225.09175	1.3
225.12773	1.4
229.07381	0.4
230.07814	1.4
235.11224	2.7
237.09117	1.6
238.09956	2.9
248.08841	0.7
249.05754	0.4
251.10657	1.3
251.95024	0.4
251.97713	0.4
253.08289	2.6
253.12245	100.0
254.12560	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	253.1227
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
54.85641	0.4
55.01866	0.7
55.05476	0.7
56.96548	0.6
61.40135	0.4
67.05470	0.9
69.03414	0.8
69.07050	0.9
69.42631	3.3
71.04974	0.6
79.05464	0.6
79.33871	0.4
81.07025	1.4
83.08619	0.5
91.05464	0.5
92.44383	0.4
93.07065	0.6
95.08572	0.8
98.98477	25.5
102.96849	0.9
105.06953	0.8
119.08567	0.9
133.10139	0.6
135.08020	0.6
141.06917	0.5
147.08047	0.5
165.06970	0.9
167.08574	0.6
169.06468	0.7
171.08040	0.5
178.07794	0.9
179.08577	2.3
181.06467	2.8
181.10204	0.5
182.07237	0.9
182.15413	0.5
183.08025	1.6
189.06964	1.1
191.08560	0.9
192.09372	1.4
193.10107	0.4
194.07350	0.5
195.08070	4.9
196.08780	1.6
197.09624	1.3
198.10416	0.6
202.07811	0.8
203.08456	0.6
205.06577	0.9
206.07219	0.7
207.08073	5.6
207.11711	1.1
209.06049	0.6
209.09583	1.8
210.06726	1.5
210.10388	1.9
210.14874	0.9
211.07559	3.0
211.11218	1.2
219.08025	2.0
220.08900	3.2
221.09691	3.2
221.13235	0.4
222.06865	0.5
223.07556	22.3
223.11093	0.8
224.08337	64.3
225.09079	8.1
225.12756	1.9
235.07573	11.7
235.11186	2.9
236.08252	1.0
236.11913	1.8
237.09142	6.7
238.09901	100.0
239.10257	1.1
249.02669	0.5
251.10687	1.0
252.11406	1.4
253.08665	9.3
253.12242	86.1
254.12601	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	253.1226
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
54.26318	0.4
54.78899	0.4
55.01840	0.6
55.05490	0.5
56.96529	1.7
56.96777	0.4
65.03904	0.4
66.81629	0.4
67.05482	1.1
69.03385	1.8
69.07069	0.5
69.43697	3.4
71.04964	0.4
79.05481	0.7
81.03390	1.0
81.07020	1.4
85.02856	0.4
86.63838	0.4
91.04984	0.3
91.05475	2.9
93.07024	0.6
95.08578	0.9
97.02879	0.7
97.06512	0.6
98.20744	0.8
98.98468	27.4
105.07014	0.8
107.08569	0.5
109.02886	2.0
109.06509	0.6
109.10145	0.7
116.98485	0.4
116.99432	0.4
119.08581	0.6
121.10107	0.7
121.20337	0.6
123.62018	0.4
127.03905	0.9
129.06998	0.5
131.00198	0.5
131.15096	0.4
133.10161	0.5
141.06985	0.8
149.01259	0.7
165.06979	1.2
167.08411	0.5
169.06314	0.5
169.10091	0.8
178.07803	0.6
179.07083	0.4
179.08562	1.3
181.06543	2.5
182.07184	0.6
182.10693	0.4
183.08043	1.7
186.51898	0.6
191.08511	0.6
192.09326	1.0
193.10185	0.6
194.07292	0.5
195.08089	4.9
196.08751	1.1
197.06082	0.7
197.09604	1.6
202.07666	1.1
203.16563	0.4
205.06496	1.5
206.07178	0.6
207.08076	2.7
207.11717	0.7
209.06064	0.7
209.09546	1.2
210.06749	1.7
210.10349	2.5
211.07553	1.2
219.07980	2.4
220.08804	2.8
221.09586	4.8
223.07545	23.9
224.08322	62.8
225.09105	8.6
225.12575	2.6
235.11154	2.2
235.13272	0.9
236.08315	0.7
236.11987	1.3
237.09122	6.9
238.09879	100.0
239.10277	1.6
251.10713	1.1
252.11308	0.6
252.59613	0.8
253.12215	93.0
254.12627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
56.96573	7.8
57.03437	1.5
57.07081	1.7
60.04544	1.1
61.02925	1.4
67.05509	1.6
69.03439	2.7
69.07073	3.8
70.06584	2.7
71.04958	1.0
71.16341	1.9
72.08168	3.7
73.02903	0.8
73.06565	10.9
79.05505	0.8
80.04996	0.7
81.03427	1.2
81.07062	2.2
83.08674	0.8
84.04510	1.2
84.08147	1.8
85.02927	7.2
86.06076	0.8
86.09702	1.1
91.05518	1.8
91.07561	0.8
95.04981	1.1
95.08646	1.7
97.02906	2.6
98.97586	7.2
98.98478	100.0
100.98962	1.1
101.14324	0.7
105.07023	1.1
107.08631	0.9
109.02856	0.7
110.07182	2.0
110.97586	1.9
112.99163	0.9
114.76050	0.7
116.98618	3.9
116.99460	1.6
120.08096	1.1
123.04451	1.0
124.03957	7.5
124.54485	1.1
125.04306	4.6
127.03942	1.0
128.98631	1.9
134.99651	0.7
136.06215	1.3
136.07545	1.1
138.09154	1.9
141.05457	1.3
143.00253	0.9
143.99562	1.8
151.07634	0.8
155.04712	0.8
156.03322	0.8
156.10216	1.3
158.57697	0.8
158.99655	2.1
159.03293	0.9
160.02858	0.9
162.05466	2.2
163.02742	0.7
163.04173	0.9
174.99286	2.0
176.98959	1.3
177.00742	2.0
178.55440	1.5
179.08403	0.8
179.10722	1.1
184.08287	0.7
187.56044	1.6
197.11806	2.0
212.05862	1.6
219.01785	1.7
219.72366	0.7
230.03313	0.7
230.06990	1.1
230.59669	1.8
235.09703	0.9
237.02881	1.3
253.08833	2.5
253.15872	0.9
254.06787	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03938	4.0
54.60140	1.1
55.01883	9.8
55.05510	7.4
57.03425	4.4
57.07071	4.3
59.71388	1.1
60.06763	1.1
67.05517	38.4
69.03413	3.8
69.07085	9.1
69.23905	12.5
71.04987	3.0
71.21181	1.4
71.36882	1.3
77.08312	1.3
78.30072	1.7
79.05514	14.5
81.03418	6.2
81.07069	36.1
82.93259	1.5
83.04989	7.2
83.08603	2.4
85.06554	4.1
91.04972	2.2
91.05496	30.7
93.07067	11.0
95.04971	4.3
95.08611	7.2
97.06522	4.0
98.98479	100.0
99.08095	1.3
104.47215	1.4
105.07048	22.9
107.04986	1.9
107.08612	19.3
109.06510	4.6
109.10166	40.1
110.65105	1.3
113.05994	1.9
116.02402	1.2
116.99562	1.6
117.06997	2.3
119.08567	3.2
123.11709	8.4
124.98898	1.2
125.09670	1.5
127.07571	2.1
130.46242	1.5
133.06517	1.9
133.10144	46.9
141.06990	1.4
143.08546	2.1
151.11208	28.8
151.86266	1.3
161.09589	3.6
169.12241	2.8
174.99168	1.7
179.10565	1.7
197.11690	2.5
224.91135	1.4
253.14359	94.0
253.19531	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	253.1436
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03946	1.5
55.01875	8.8
55.05521	7.0
57.03429	4.7
57.07074	2.4
67.05189	2.6
67.05511	38.1
69.03413	3.3
69.07069	9.2
69.30774	11.7
71.04974	4.2
79.05504	13.7
81.03407	4.3
81.07067	34.9
83.04989	7.4
83.08603	4.1
83.77553	1.5
85.06526	5.4
91.05489	30.7
93.07070	10.5
95.04964	4.8
95.08590	6.7
97.06538	3.4
98.98476	100.0
99.04468	1.5
105.07035	23.8
107.04929	2.3
107.08606	22.7
107.69665	1.5
109.06482	4.6
109.10168	37.6
110.40404	1.5
111.08062	2.0
113.05959	2.2
116.99451	3.0
123.11686	6.9
127.07562	4.0
131.08527	2.5
133.10139	55.3
140.01041	1.7
151.11174	23.6
161.09671	3.0
169.12222	3.3
174.99213	3.0
253.14346	99.5
254.14510	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	253.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
54.60140	1.1
55.01883	9.8
55.05510	7.4
57.03425	4.4
57.07071	4.3
59.71388	1.1
60.06763	1.1
67.05517	38.4
69.03413	3.8
69.07085	9.1
69.23905	12.5
71.04987	3.0
71.21181	1.4
71.36882	1.3
77.08312	1.3
78.30072	1.7
79.05514	14.5
81.03418	6.2
81.07069	36.1
82.93259	1.5
83.04989	7.2
83.08603	2.4
85.06554	4.1
91.04972	2.2
91.05496	30.7
93.07067	11.0
95.04971	4.3
95.08611	7.2
97.06522	4.0
98.98479	100.0
99.08095	1.3
104.47215	1.4
105.07048	22.9
107.04986	1.9
107.08612	19.3
109.06510	4.6
109.10166	40.1
110.65105	1.3
113.05994	1.9
116.02402	1.2
116.99562	1.6
117.06997	2.3
119.08567	3.2
123.11709	8.4
124.98898	1.2
125.09670	1.5
127.07571	2.1
130.46242	1.5
133.06517	1.9
133.10144	46.9
141.06990	1.4
143.08546	2.1
151.11208	28.8
151.86266	1.3
161.09589	3.6
169.12241	2.8
174.99168	1.7
179.10565	1.7
197.11690	2.5
224.91135	1.4
253.14359	94.0
253.19531	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	254.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57743	0.3
52.90030	0.3
56.96565	1.2
57.43014	0.3
58.21977	0.3
63.38954	0.3
67.05509	0.4
69.03424	0.3
69.07038	0.3
69.71797	1.8
72.08163	0.3
78.03440	0.9
79.05466	0.3
80.05026	3.0
81.03434	0.4
81.07068	0.3
84.08142	0.3
84.96016	0.3
85.02906	2.5
85.24147	0.3
87.04470	0.3
95.05041	0.3
96.04500	2.1
97.02892	0.3
98.97596	1.1
98.98470	4.0
103.03986	0.3
106.02925	2.5
116.98655	0.8
124.03961	100.0
125.04310	0.5
131.03383	0.6
132.35039	0.3
138.09145	0.4
142.61305	0.3
144.05988	0.3
159.02867	0.4
161.01228	0.3
210.14838	0.6
219.05188	0.3
236.06424	0.3
236.08936	0.9
254.06613	12.7
254.09912	1.2
254.13858	1.1
254.17476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86872	4.5
56.28771	5.5
57.03429	16.2
57.84861	4.9
65.03957	4.9
69.03429	7.0
69.67683	30.4
81.07046	4.9
84.08124	5.7
84.78091	4.6
85.02899	7.1
98.98452	26.3
106.02927	5.1
110.07151	7.3
119.01920	6.7
123.05569	100.0
124.03986	54.6
125.04328	10.4
145.03461	8.9
234.98180	4.8
255.06367	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	255.1018
Annotation	Magnaldehyde D
Peak:m/z	Relative Intensity
55.01883	1.6
61.32307	0.6
69.03440	0.9
69.27097	6.1
78.88226	0.7
79.05519	1.3
81.07079	0.8
83.04976	1.0
95.08651	1.4
97.10173	0.7
98.98466	2.7
102.95887	0.7
105.07075	0.7
107.08607	1.1
115.05399	0.7
139.05414	0.7
141.06984	1.4
144.05690	1.0
145.06480	0.8
152.06134	1.1
153.06963	2.4
157.04425	0.7
157.06538	1.5
165.06992	11.0
166.07800	11.7
167.08597	2.4
168.05666	1.0
169.06537	0.8
171.08063	1.6
179.08582	3.3
181.06523	4.8
181.10109	9.5
182.07268	0.8
183.08119	1.4
185.09636	0.7
189.07010	1.6
190.07799	4.8
191.08568	12.8
192.09412	0.7
193.06508	0.8
194.07291	23.7
195.08046	3.8
197.05963	6.0
197.09608	1.1
198.06743	2.3
199.07549	3.6
199.11250	3.1
201.07156	0.8
205.06467	2.6
207.08057	3.6
208.08797	1.6
209.09634	43.7
210.06732	1.3
210.10068	0.6
211.07568	5.8
212.08342	32.6
218.07288	2.4
219.08046	7.4
221.06055	2.5
222.06775	12.4
223.07549	0.7
225.09073	5.4
226.06529	0.8
226.09866	1.1
227.10683	87.6
228.11040	1.3
235.07382	0.8
236.08537	1.5
237.09119	100.0
238.09460	2.1
240.07628	0.9
255.10179	31.1
255.17464	1.8
264.26767	0.7
272.97418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1019
Annotation	Magnaldehyde E
Peak:m/z	Relative Intensity
55.01885	5.5
55.05528	3.8
56.96568	3.7
57.03427	1.8
61.09193	0.7
62.53334	0.7
65.39501	0.8
67.05519	5.5
69.03422	2.1
69.07085	1.7
70.31455	3.1
71.04989	1.4
71.08620	0.7
79.05511	3.8
81.07054	2.3
83.05004	5.5
83.08646	1.0
84.96068	0.8
89.65112	0.8
90.60689	0.8
91.05469	1.5
93.07050	5.4
95.04984	2.1
95.08599	2.6
97.02921	0.8
97.06537	2.5
98.97604	1.8
98.98473	8.8
105.07034	5.3
107.04967	2.0
107.08600	2.8
109.10182	1.4
111.08109	0.8
115.05466	2.5
115.33671	0.9
117.07084	1.0
119.08577	1.7
121.06508	1.8
121.10147	1.3
124.99036	0.8
126.62592	0.9
127.02457	0.9
127.03896	0.8
128.06236	1.2
128.29158	0.7
129.06982	2.1
129.92404	0.8
131.04959	1.2
132.05693	2.0
133.06514	16.8
135.11691	5.6
141.06992	1.7
142.07747	1.0
143.00220	1.0
143.08554	2.6
144.00566	1.4
145.06534	2.4
145.10135	1.1
152.06250	1.8
153.07022	4.7
153.12743	2.2
155.08528	1.8
157.06512	6.7
158.07266	2.5
161.06015	6.5
163.11237	1.1
165.06995	11.4
166.07794	9.6
167.08560	3.4
168.05740	1.9
169.06526	4.6
170.07246	2.0
171.08086	7.7
171.11691	1.5
173.06017	7.2
178.07755	1.5
179.08560	3.2
181.06487	10.4
181.10123	6.0
181.12251	2.0
182.07285	2.1
183.08073	5.9
184.08881	6.2
185.06030	4.0
185.09653	2.9
189.07022	1.5
190.07742	4.0
191.08586	10.2
194.07291	19.1
195.08069	6.6
197.05986	9.8
197.09676	2.6
198.06752	1.6
199.07590	9.4
199.11201	9.7
205.06470	2.3
207.08052	2.6
208.08913	1.8
209.09633	32.3
210.06688	0.8
211.07542	3.5
211.11221	0.8
212.08336	7.0
213.09059	3.7
218.07263	1.6
219.08086	10.9
221.05962	2.2
222.06801	7.6
223.07602	0.9
225.09090	2.2
226.09836	0.9
227.07018	3.3
227.10713	12.6
235.07439	1.0
237.09128	48.1
238.09634	2.1
243.07788	1.1
250.03290	1.4
255.10196	100.0
256.10782	3.9
262.81906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35001	4.2
53.03939	9.6
55.01871	8.5
55.05517	37.3
56.96575	11.9
57.03440	55.8
57.07072	9.9
67.05185	5.4
67.05511	92.7
67.36732	4.1
69.07072	36.8
71.01353	4.8
71.04986	12.0
79.05499	88.5
81.03400	11.9
81.07058	52.2
83.04981	29.3
83.08616	10.1
85.06551	6.3
91.05480	40.9
93.06477	7.3
93.07051	99.9
95.04950	5.0
95.08627	16.7
97.06535	25.6
97.10173	18.5
98.98470	84.5
99.08053	5.0
100.98913	4.4
105.07040	11.6
107.04934	5.4
107.08595	63.8
109.10179	13.5
111.08084	5.5
117.07002	8.0
119.08592	13.6
121.06489	4.9
121.10161	16.3
125.09724	6.6
129.07010	8.7
130.05296	3.6
133.10121	4.1
135.11691	100.0
137.62524	3.5
145.10135	21.0
153.12782	9.0
155.08505	5.1
157.10106	7.8
159.08278	4.6
163.11189	12.0
181.12231	11.0
197.13307	6.6
227.10635	5.5
231.06657	4.1
237.09203	8.3
255.10272	26.7
255.15651	51.0
255.25156	12.5
256.26385	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	255.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
53.35878	1.3
54.31863	1.3
55.01862	3.8
55.05519	30.3
56.96556	5.4
57.03445	55.0
57.07071	3.6
65.03957	3.1
67.05512	75.0
69.03429	1.9
69.07077	25.7
70.67864	1.4
70.68210	4.1
71.01362	7.7
71.05000	8.7
72.08154	6.1
73.02884	1.9
79.05502	75.4
81.03418	8.2
81.07068	34.6
83.04994	17.6
83.08615	5.5
85.02930	1.4
85.06547	6.2
91.05490	27.7
93.07056	76.2
95.04954	9.0
95.08612	13.3
97.06548	24.1
97.10179	20.8
98.97588	4.0
98.98484	14.5
99.08093	3.2
105.04544	1.6
105.07048	11.2
106.61246	1.3
107.04967	2.0
107.08607	54.2
109.06525	1.7
109.10163	11.5
109.40736	1.2
111.08083	4.0
111.11768	1.6
117.07019	6.6
119.08606	9.4
121.06506	3.3
121.10173	10.4
123.11678	2.0
125.09636	3.1
133.02861	1.5
133.10133	5.0
135.08086	2.8
135.11707	100.0
137.09604	3.1
143.08574	2.5
145.10133	15.9
153.06989	1.5
153.12732	3.8
155.08589	1.7
157.10071	1.4
163.11215	13.8
165.07092	2.7
181.10654	2.4
181.12239	20.2
185.09627	1.6
186.06966	1.3
197.13200	1.8
209.09676	1.5
212.07076	1.7
213.16333	1.5
227.07028	2.4
228.10316	2.5
237.09178	2.5
255.06464	5.5
255.10275	6.0
255.13402	3.1
255.15852	35.9
255.21404	4.0
256.09702	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	255.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01876	4.1
55.05515	38.1
56.96571	17.5
57.03159	2.9
57.03442	55.7
57.07059	5.5
59.04994	2.7
60.95847	2.5
64.31683	2.0
65.03934	5.1
67.05510	91.9
69.03432	3.8
69.07076	34.8
70.70297	2.3
70.70657	7.4
71.01359	7.9
71.05000	19.5
79.05499	77.6
81.03425	11.2
81.07061	49.5
83.04984	24.3
83.08618	11.1
84.04549	2.4
85.02912	8.1
85.06538	7.1
91.05485	36.5
91.46978	2.4
93.07052	93.0
95.05005	14.8
95.08614	26.3
97.06533	28.1
97.10178	20.9
98.97569	4.9
98.98483	42.8
99.04446	2.6
105.04524	2.7
105.07037	11.8
107.05007	2.8
107.08602	52.4
109.06552	6.2
109.10161	9.3
111.08082	5.4
115.97278	2.2
116.52168	2.2
117.07022	8.9
119.08582	14.2
121.06509	5.5
121.10157	17.4
123.11714	2.5
125.09651	5.0
127.03937	3.6
128.06273	3.4
129.07040	4.6
131.08575	5.7
133.10146	6.9
135.08055	2.6
135.11707	100.0
137.09563	3.0
138.16577	2.2
139.07559	4.4
141.02182	2.1
141.07037	5.0
143.00180	2.2
143.08560	7.1
145.10126	17.1
147.08066	7.9
147.11671	2.9
149.13210	2.3
151.03839	3.2
153.07014	5.3
153.12778	7.1
155.08478	5.4
156.09428	3.9
157.06493	3.0
157.10118	5.9
158.07306	2.8
159.08083	3.4
161.09636	3.8
163.11177	17.8
165.06993	4.1
166.07820	4.7
167.08559	3.5
169.03532	3.9
169.06480	5.6
171.08090	11.5
171.11729	5.8
173.09639	3.7
179.08417	2.4
181.06451	3.6
181.10065	4.8
181.12233	17.0
183.11667	2.7
184.08881	9.5
185.09668	3.4
185.13222	3.7
194.07309	2.8
195.06516	2.8
195.08199	2.9
198.06737	3.7
199.07504	2.7
199.11160	17.2
199.14931	2.9
201.09755	2.6
209.06128	3.2
209.09587	10.3
212.08167	4.2
213.09659	10.6
213.16454	2.9
227.07024	4.3
227.10475	5.3
227.14207	3.0
228.24454	2.2
231.10747	12.6
237.05331	2.8
237.09100	5.3
250.03220	6.0
255.06560	26.2
255.10225	93.5
255.13556	8.2
255.16008	30.0
255.17891	9.8
255.21170	6.2
260.10312	2.4
275.52759	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	255.1747
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
54.56181	0.9
55.01878	1.1
55.05529	4.5
56.96579	1.7
57.03441	2.4
62.46633	0.7
64.77053	0.9
67.05512	5.8
67.09763	0.9
68.82820	0.8
69.07078	4.8
70.61129	0.9
70.61483	2.7
71.04996	2.9
79.05496	8.2
81.07063	4.8
83.05000	3.0
83.08601	1.3
85.06546	1.5
85.10224	0.8
91.05480	8.0
93.07063	8.9
95.04978	2.3
95.08620	4.1
97.06532	2.9
97.10164	0.9
98.21544	0.9
98.98477	7.8
99.08069	1.0
105.07040	10.1
107.08602	9.1
109.06531	3.7
109.10163	1.9
110.02662	0.8
111.08083	1.4
115.05437	1.1
117.07050	2.3
119.08596	12.9
121.06517	0.9
121.10161	1.8
123.08054	1.3
128.06279	2.9
129.07005	3.3
130.07745	1.2
131.08559	3.4
133.10139	7.1
135.08055	4.6
135.11696	5.1
141.07001	3.6
142.07806	6.5
143.08586	12.6
144.09361	1.0
145.10155	4.1
147.08043	2.7
147.11761	1.2
149.09596	1.7
151.44635	0.9
153.06996	2.6
153.12794	1.1
154.07806	1.1
155.08560	9.7
156.09381	11.6
157.10147	16.1
158.10927	2.2
159.08058	1.8
159.11665	4.7
161.09673	4.0
163.11212	1.3
165.07065	3.6
166.07784	1.8
167.08597	7.9
168.09337	3.2
169.10127	12.3
170.10930	3.6
171.08014	1.3
171.11717	25.3
172.12584	1.4
173.09669	2.6
173.13304	2.8
175.11176	2.3
179.08578	2.2
180.09401	2.9
181.10170	6.9
181.12393	1.0
182.10921	10.5
183.11700	9.6
184.08847	2.5
184.12433	1.8
185.09621	3.3
185.13266	8.0
187.11224	2.6
193.10158	3.7
194.10980	1.8
195.11713	10.8
196.12593	4.2
197.09619	1.4
197.11449	2.1
197.13283	41.8
198.10388	1.6
198.14043	2.8
199.11183	11.8
207.11725	8.3
208.12488	2.6
209.13298	3.1
211.11253	1.9
211.14806	11.4
212.12025	1.3
212.15630	10.2
213.12840	8.7
213.16396	23.8
214.13538	2.1
222.14001	6.9
225.12814	2.7
226.13522	1.1
227.14456	1.4
227.17917	2.4
237.16432	14.2
237.18640	1.4
240.15120	3.1
255.10197	9.2
255.17487	100.0
256.17877	2.3
256.47031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
55.27628	0.4
57.03448	3.9
59.04991	0.5
61.02927	0.8
68.80977	0.3
69.03429	1.8
70.35064	0.9
70.35388	0.6
71.01347	1.3
73.02925	2.0
80.05019	1.7
83.59835	0.4
85.02926	3.4
87.04503	0.6
88.94493	0.4
90.87439	0.5
97.02895	1.5
110.05988	0.5
113.45795	0.4
115.02388	0.4
115.03916	1.1
119.37139	0.4
123.05599	1.0
124.03968	100.0
125.04294	0.9
133.05005	3.4
133.71819	0.5
150.06689	2.0
153.92783	0.4
164.08301	0.6
180.97745	0.4
196.07181	2.8
199.17458	0.4
210.08743	1.4
256.09335	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	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18568	0.7
53.03984	0.7
54.47298	0.6
55.01865	3.1
56.96569	4.6
57.03445	6.4
58.99871	1.6
61.02927	1.8
61.75247	0.7
66.74991	0.7
69.03426	3.9
69.18166	0.7
70.06585	1.6
70.98106	0.9
71.01361	1.5
71.54543	1.5
71.57703	0.7
73.02927	3.9
74.76110	0.7
75.19414	0.7
75.94032	0.6
80.05014	2.3
82.01430	2.2
85.02924	4.3
87.04444	0.8
95.06080	0.8
96.04481	0.8
97.02892	3.2
98.97579	4.1
99.02954	2.2
99.35014	0.7
100.02491	2.4
101.00902	2.5
110.06045	2.1
110.97594	0.9
115.02444	2.1
115.03954	3.2
116.98656	0.7
117.04007	5.9
119.01924	5.0
123.05555	1.7
124.03963	100.0
124.05882	2.5
125.04335	0.9
127.02449	1.6
128.98645	0.6
129.01932	0.7
131.01888	0.9
133.05009	3.5
135.05061	2.0
140.05574	2.1
142.01758	0.7
143.01938	1.8
145.03435	4.1
150.06625	3.5
153.05794	1.5
158.06703	1.1
161.02950	2.0
161.06639	1.1
163.04608	1.1
164.08188	1.7
168.05035	1.8
171.01410	1.4
175.10129	0.7
184.04593	4.3
185.02968	1.0
187.00826	1.2
189.02570	1.4
189.03932	0.9
196.07167	5.6
210.02483	0.9
210.08829	2.3
212.04117	1.4
233.01556	3.7
233.05122	0.9
233.10493	0.8
251.02606	3.0
256.03003	4.6
256.09348	7.1
256.15463	1.2
274.03967	1.5
274.97604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.08786	0.9
53.03946	1.8
55.01871	1.8
55.05515	9.7
56.97540	0.9
57.03433	2.2
57.07082	1.6
63.77693	0.9
67.05177	1.2
67.05508	18.7
69.07063	7.5
71.04984	1.2
71.06112	2.2
79.05502	11.3
79.46083	0.9
81.07062	15.9
83.04980	2.1
83.08607	3.3
83.09650	1.2
85.06527	2.0
91.05487	21.0
93.07049	12.2
95.04968	1.4
95.08626	12.7
96.39887	1.1
97.06515	4.4
103.05463	0.9
105.07045	15.3
107.05025	1.0
107.08565	6.1
109.06498	2.2
109.10128	4.6
109.93213	1.0
115.05447	3.8
116.06248	2.0
117.07023	29.9
119.08584	11.4
121.10146	4.7
123.08057	1.8
125.09589	1.6
128.06226	4.2
129.07030	13.7
130.07774	3.6
131.08577	50.2
131.53790	0.9
133.06520	4.9
133.10120	9.2
135.08049	2.0
135.11723	1.6
141.06990	7.6
142.07811	4.7
143.08571	16.6
144.09358	2.5
145.06491	5.1
145.10132	72.2
147.08058	3.6
147.11684	4.6
148.62309	1.3
149.09550	2.4
154.07802	2.1
155.05905	1.0
155.08536	9.1
157.10147	23.8
159.08069	4.5
159.11702	29.0
161.09644	5.2
161.13254	3.1
163.11162	3.1
167.08571	1.4
168.09332	1.6
169.10114	13.6
171.11697	19.5
173.09631	4.8
173.13271	14.5
174.63234	0.9
175.11230	6.0
177.12778	1.8
181.10115	1.3
182.10902	1.9
183.11703	15.3
185.13306	3.8
187.11230	8.7
187.14897	2.1
188.88130	1.1
189.12688	2.2
197.13263	14.0
199.14827	3.0
201.12827	4.8
210.14163	1.4
210.29784	1.0
211.14799	3.2
213.16362	3.9
215.14227	2.1
215.17999	2.5
229.19527	4.4
239.17961	30.8
257.11749	2.3
257.19019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1903
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03939	1.1
55.01844	0.8
55.05514	4.5
57.07064	2.2
58.32516	0.7
63.76252	0.7
67.05514	6.5
68.42470	0.8
69.03413	0.9
69.06741	1.0
69.07068	6.6
69.70886	4.2
71.05000	5.2
74.15743	0.7
79.05493	8.2
81.07066	7.4
83.04984	2.1
83.08613	2.5
85.06537	4.5
88.80009	0.7
91.05484	9.2
93.07056	16.2
95.04980	4.6
95.08617	11.7
97.06510	1.3
98.97594	4.1
99.08089	1.3
99.87606	0.7
103.05494	1.2
105.07042	24.7
107.08603	17.6
109.06526	6.8
109.10162	11.4
111.08090	3.0
115.05427	0.9
117.07030	5.4
119.08595	22.1
121.06514	1.6
121.10156	73.6
123.08064	4.3
123.11691	2.8
128.06229	1.9
129.07019	4.7
130.07774	1.5
131.08577	12.9
133.07622	1.3
133.10156	11.9
135.08067	16.1
135.11685	3.9
137.09612	6.5
141.07018	2.1
142.07793	7.2
143.08563	16.7
144.09378	2.8
145.10136	18.8
147.08121	1.2
147.11647	4.4
149.09665	4.2
151.11206	1.2
153.06970	1.1
155.08603	6.2
156.09334	5.1
157.10146	24.2
158.10942	5.2
159.08031	2.6
159.11699	21.1
161.09651	2.7
161.13255	2.5
163.11249	5.1
167.08644	1.1
168.09375	3.0
169.10164	11.3
170.10872	1.9
171.11725	13.9
172.12544	1.0
173.09641	3.2
173.13272	26.8
174.14029	3.0
175.11185	3.6
175.14828	2.4
177.12756	1.9
177.17926	0.8
181.10077	1.8
182.10973	1.5
183.11707	10.4
183.53932	0.9
184.12523	5.0
185.13274	3.5
187.11203	6.4
187.14760	4.9
189.12785	2.8
195.11711	1.9
196.12491	1.6
197.13301	7.1
198.13928	1.1
199.14836	37.0
201.12767	7.4
209.13240	1.8
210.13945	1.7
211.14845	1.3
213.16396	11.8
214.17125	3.3
215.14334	3.5
215.17998	8.9
215.19952	1.2
224.15549	1.1
229.16006	0.8
239.17955	17.0
239.20152	1.4
257.19028	100.0
257.26575	6.2
258.19464	2.7
258.27939	2.6
274.97440	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.02384	2.4
55.05509	13.9
56.96579	9.4
57.03439	14.6
57.07053	5.9
67.05513	30.5
69.07056	10.8
70.06577	7.4
71.04989	4.1
71.08649	2.7
71.54943	2.1
71.95243	2.2
79.05527	10.1
81.03379	2.2
81.07074	16.1
83.08617	8.1
85.06581	3.3
88.07629	6.9
89.07989	2.2
91.05480	21.8
93.07066	11.4
95.03461	7.8
95.04935	2.9
95.08627	17.8
97.06545	2.6
98.97013	2.7
98.97598	32.6
99.08072	4.8
102.09185	7.2
105.07039	20.7
107.08595	6.2
108.04220	2.8
109.10187	11.3
109.10802	2.4
115.05431	4.4
116.06236	3.7
116.98632	19.8
117.07026	45.4
119.08607	13.6
121.10138	3.2
127.02400	1.7
128.06209	9.3
129.07019	33.9
130.07773	6.3
131.08592	37.5
133.06439	1.8
133.10129	6.4
133.12875	1.8
134.99663	11.2
135.08064	2.9
135.11763	2.3
136.07408	1.9
141.07056	8.9
142.07762	8.1
143.08580	39.1
144.09314	2.4
145.10138	72.9
147.08038	3.0
147.11685	7.6
149.09695	2.2
150.08897	5.8
152.06860	5.9
155.08566	8.3
156.09409	3.5
157.08937	2.9
157.10141	37.0
159.11705	53.5
159.13026	3.1
161.09647	2.5
163.11159	2.3
168.09402	2.0
169.10156	18.4
170.10922	2.2
171.11710	18.8
173.09630	2.1
173.11920	2.5
173.13283	19.4
175.11192	5.3
178.11948	2.3
182.10970	2.0
183.11751	20.2
185.13278	100.0
187.11349	1.8
190.95531	2.1
194.11545	2.7
197.13280	15.9
199.14809	3.2
201.12737	2.9
201.16472	4.9
203.03389	3.5
211.14789	4.0
213.16440	3.9
229.15906	2.0
229.19557	5.8
233.48216	2.0
239.10915	2.6
239.17981	38.1
256.96634	3.4
257.04507	7.7
257.08151	6.9
257.11566	4.2
257.19025	99.5
257.26685	56.7
258.11319	4.3
274.97534	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	257.1903
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03939	1.6
55.01858	1.2
55.05512	8.3
55.57322	0.9
57.03426	1.5
57.07067	2.1
65.03941	1.3
67.05170	1.3
67.05509	18.0
69.07075	5.6
70.06904	3.5
71.04985	3.1
79.05505	8.9
81.07059	14.0
83.08610	4.1
85.06561	2.1
91.05485	15.9
93.07060	14.2
95.04961	4.1
95.08609	9.5
97.06514	1.1
98.97579	8.6
103.05461	2.1
105.07039	28.4
107.08608	15.1
109.06490	3.6
109.09466	1.1
109.10163	14.0
111.08077	1.6
115.05466	3.0
116.06238	1.5
116.98624	5.5
117.07034	21.1
119.04962	1.0
119.08591	19.0
121.06501	1.7
121.10152	77.8
122.10455	1.1
123.08080	4.3
123.11743	2.0
128.06232	6.1
129.07008	16.9
130.07785	3.3
131.08583	43.4
133.10136	10.4
134.99623	1.5
135.08069	14.7
135.11703	3.2
137.09615	4.4
140.00192	0.9
141.06985	7.7
142.07794	7.1
143.08578	28.2
144.09386	2.2
145.06535	1.2
145.10135	54.0
147.08040	2.1
147.11694	2.7
149.09615	3.4
153.06949	0.9
154.07741	1.9
155.08577	11.7
156.09337	2.9
157.10146	22.3
158.10956	1.0
159.08017	2.6
159.11705	23.1
161.09637	3.2
161.13258	1.9
163.11145	3.1
168.09337	2.5
169.10132	15.4
170.10945	1.8
171.11714	21.5
173.09671	2.4
173.11798	1.3
173.13255	17.3
175.11203	2.2
177.12764	2.7
181.10216	1.1
182.10876	2.2
183.11708	19.5
184.12466	3.0
185.13362	4.4
187.11163	4.6
187.14883	3.2
189.12624	1.0
196.12526	1.0
197.13278	15.0
198.14143	0.9
199.14836	28.7
201.12753	5.3
203.03439	2.7
209.13394	1.1
211.14813	3.4
213.16377	8.7
214.17198	1.7
215.14406	2.1
215.17953	5.7
229.19435	1.8
239.17981	26.0
257.04425	4.4
257.08295	2.0
257.11353	6.6
257.19025	100.0
257.26535	4.9
258.19424	1.4
258.27899	3.3
274.97632	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	258.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07991	2.0
55.01860	3.2
56.96568	2.9
57.03461	2.9
57.07076	3.5
57.91542	2.4
59.04950	2.0
67.05496	4.4
68.58086	2.1
69.07062	6.4
69.32610	2.4
70.06593	2.8
79.05490	4.3
81.01904	4.1
81.07029	3.3
83.04984	2.9
84.04518	2.3
90.07958	2.0
91.05482	5.0
94.02715	2.6
95.03484	100.0
97.06539	17.2
98.97599	4.4
101.97500	2.5
108.04234	16.3
116.98633	4.1
117.07024	4.8
118.07353	4.8
119.08537	3.1
122.05827	4.7
127.02436	22.8
130.07317	3.3
132.08907	4.1
136.07352	10.1
137.08159	15.3
143.08620	2.6
144.08896	4.6
145.10213	2.6
146.10519	10.9
150.08925	34.0
152.06860	41.7
158.10507	3.0
160.12033	10.2
163.03905	7.7
164.10510	3.7
169.07149	12.6
170.10519	2.9
173.02310	6.5
173.13373	2.9
178.12054	17.2
184.11969	3.0
185.13402	2.8
186.13696	11.6
190.55890	2.2
194.11523	35.8
202.21588	4.6
211.11839	7.9
213.03970	2.7
215.07016	6.4
225.95297	2.5
240.18399	4.5
258.05103	2.6
258.11374	64.4
258.19400	21.9
258.27612	9.3
259.09708	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	259.0717
Annotation	Thalidomide
Peak:m/z	Relative Intensity
55.01799	1.4
55.05450	0.6
56.96521	0.5
57.03368	0.6
67.05443	0.8
69.06983	3.2
69.18874	2.8
69.19298	1.7
77.34557	0.5
79.05408	2.6
84.04422	0.7
84.08054	1.6
84.08527	0.5
84.80513	0.4
86.09705	2.7
89.03835	1.6
90.03384	0.6
91.05424	0.8
92.04922	0.6
94.02866	1.0
95.04893	0.6
96.04447	0.7
97.06544	16.4
105.06962	0.6
115.05392	1.2
117.03362	0.8
117.06920	0.4
119.04855	1.2
120.04481	13.5
122.02405	39.8
122.03305	2.0
125.98788	0.4
129.06950	0.5
130.08589	0.7
131.08557	0.5
133.02780	1.3
135.04333	1.9
140.04971	4.3
141.06909	1.8
144.05663	0.8
145.02795	1.1
146.02393	8.1
147.04343	1.6
159.04425	2.2
161.02359	4.8
161.05905	1.3
163.02737	0.5
163.03925	7.1
164.35828	0.5
167.06090	3.4
167.08479	1.1
169.06410	1.7
170.05943	1.3
173.00949	0.6
173.02364	8.0
173.05904	0.7
175.03902	1.2
179.05997	0.8
184.05180	0.6
185.05855	0.5
185.07234	0.6
185.09651	0.6
187.07513	1.7
189.05382	0.5
189.09123	0.5
195.05563	53.4
195.08228	1.4
196.04012	0.5
196.05771	0.7
197.05811	2.3
198.05423	0.6
199.07495	0.8
200.04668	0.6
213.09068	1.0
215.06856	14.8
223.05045	10.5
241.06105	100.0
242.06438	1.3
259.07190	61.1
259.09683	5.5
260.07529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03939	0.7
55.01866	3.7
55.05512	0.5
57.03450	0.7
58.58992	0.5
59.99829	0.5
67.05491	1.6
69.07072	24.4
69.56132	1.3
69.56543	1.9
77.03951	0.5
78.04700	0.6
79.05499	7.9
79.05932	0.4
81.07069	0.8
88.18296	0.5
88.77800	0.5
89.03922	13.6
91.05479	0.6
95.04942	1.1
97.06536	25.9
100.03629	0.5
105.03385	1.6
107.04961	4.8
109.77478	0.4
111.13554	0.4
112.80177	0.4
117.03384	17.1
133.02846	2.2
134.03653	5.0
135.04424	24.0
145.02849	17.0
147.04326	0.6
161.02388	1.6
162.03123	1.3
163.03914	100.0
164.04219	0.5
173.02356	1.5
191.03383	2.6
205.05179	0.6
215.07010	2.0
217.04973	8.7
241.08589	1.0
259.09683	15.4
265.68945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
50.18204	0.5
51.02377	0.7
53.00322	0.6
53.03947	1.0
55.01877	5.4
55.05509	0.8
57.03429	1.7
57.07109	0.5
67.05498	3.6
69.03425	1.1
69.07072	14.4
70.65343	1.6
70.65687	0.7
77.03905	0.9
79.05502	13.5
85.06491	0.6
89.03918	6.5
91.05502	0.6
95.04989	1.6
97.06540	100.0
105.03401	1.5
107.04982	1.6
110.08880	0.6
115.35496	0.6
117.03403	6.6
131.04942	0.9
133.02850	4.6
134.03668	1.0
135.04442	8.2
141.07079	1.0
145.02870	5.9
147.04472	1.2
159.04430	5.7
161.02359	18.3
163.03922	41.0
173.02356	45.2
185.06013	1.8
187.07553	0.6
215.07042	48.2
216.07433	0.8
241.08656	1.0
241.37810	0.7
259.09674	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	259.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	4.5
57.07077	2.4
67.05507	5.8
69.66470	3.9
69.66871	1.6
71.04979	1.2
72.97512	0.6
74.02452	2.1
75.03038	0.6
84.04514	80.6
84.08151	100.0
85.02904	1.2
86.09712	10.3
94.67371	0.7
95.04976	4.9
102.05549	1.4
112.07634	1.4
113.06016	7.3
130.05023	15.7
130.08653	61.3
130.79126	0.6
150.09163	2.2
155.66502	0.8
168.10268	0.9
196.09702	11.6
198.11285	2.4
224.04980	0.6
241.11858	0.6
242.10243	8.4
259.12949	9.0
273.47882	0.8
273.93152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.83936	2.0
55.05503	9.3
57.07073	2.3
59.79195	2.2
67.05512	11.4
69.06728	2.8
69.07071	34.9
70.98459	2.7
70.98799	4.7
71.04998	23.0
79.05499	4.4
81.07068	17.8
83.04980	4.3
83.08617	6.5
85.06551	21.8
91.05489	13.0
93.07053	14.9
95.04988	2.4
95.08616	21.3
96.20896	2.0
97.06528	3.4
105.07037	26.4
107.08607	14.2
109.06522	7.5
109.10189	13.8
111.08085	10.0
117.07025	8.8
119.08591	51.0
121.10165	12.3
123.08058	2.6
123.11719	20.6
125.09637	2.5
129.07025	2.6
130.07819	2.3
131.08565	10.2
133.10132	37.2
135.08105	13.7
135.11714	5.4
137.09601	3.2
142.07782	4.1
143.08543	9.9
145.10141	33.6
147.11699	20.2
149.13354	3.0
155.08490	2.3
156.09383	2.6
157.10152	14.8
159.11688	35.4
160.12462	3.2
161.13258	39.5
163.11127	2.9
170.10847	4.1
171.11720	17.5
173.13269	10.7
174.14058	2.2
175.11215	3.1
175.13301	4.5
175.14836	88.6
176.15605	6.9
177.16415	3.9
182.36240	2.5
185.13263	13.8
189.12689	5.4
189.16357	7.0
191.14218	2.3
199.14882	3.5
201.16394	23.7
203.14288	12.2
215.17943	4.1
217.19508	4.1
219.14168	2.1
225.72205	2.5
241.19568	16.4
259.20593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
54.19452	3.6
55.05511	10.4
57.03432	3.0
57.07070	6.0
63.39881	3.0
65.02936	3.1
67.05502	12.1
69.07077	33.7
71.04996	24.6
71.55756	3.9
71.82671	3.0
73.64037	3.4
75.08836	3.4
79.05495	10.8
81.07052	22.0
83.05000	7.0
83.08621	9.7
85.06567	18.5
91.05482	14.7
93.07059	17.5
95.04966	5.0
95.08604	17.6
97.06519	12.0
102.30467	3.2
105.03392	12.7
105.07042	24.3
107.08597	17.5
109.06543	7.5
109.10180	15.7
109.96714	3.8
111.08083	7.0
114.03716	3.6
114.64981	3.1
117.07048	7.7
119.08604	51.3
121.10169	6.8
123.08044	4.0
123.11730	23.2
129.01868	5.7
129.07007	4.6
131.08588	14.9
133.10139	35.4
135.08061	11.7
135.11676	3.5
143.08559	8.0
145.10158	29.9
147.11676	25.3
149.09637	5.0
156.09268	4.5
157.10147	12.4
159.11748	26.2
161.13272	30.9
163.03929	3.7
163.11240	3.7
171.11728	12.3
173.13301	7.7
175.11250	5.0
175.14848	77.1
176.15614	4.7
177.12778	6.9
177.16348	3.7
177.47441	3.1
185.13287	14.4
188.80177	3.2
189.12766	3.2
189.16478	4.5
199.14824	6.8
201.16391	21.2
203.14384	9.8
215.06976	7.2
215.17905	4.8
217.19426	4.6
231.12254	3.2
241.19560	19.3
245.32993	3.3
259.09738	3.8
259.20599	100.0
259.27353	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03949	1.9
55.01865	4.6
55.05518	13.5
56.96582	3.0
57.03438	2.3
57.07080	11.9
62.06088	2.7
65.03957	1.9
67.05515	23.5
69.07081	16.3
69.28004	1.6
71.05009	3.0
71.08633	4.4
71.42480	3.9
77.03921	2.0
79.05496	22.9
81.07068	26.0
83.04964	2.6
83.08607	6.5
84.04494	3.6
84.08140	5.4
85.06551	3.1
89.03983	2.1
91.04905	2.4
91.05485	40.7
93.07061	19.1
94.95457	1.5
95.04992	3.5
95.08619	16.5
97.06545	32.8
99.08102	4.0
103.05510	2.6
105.07044	74.1
107.04953	2.8
107.08588	10.5
109.06458	2.6
109.10162	4.8
115.05456	4.4
117.06329	2.3
117.07050	21.1
119.08597	29.4
121.06493	4.5
121.10181	8.9
123.08072	3.8
123.11713	2.3
126.70955	1.9
128.06238	3.6
129.07013	17.8
131.08585	25.0
133.02934	1.7
133.06491	3.4
133.10141	24.1
135.04413	3.1
135.08041	3.6
135.11722	3.6
142.07683	1.9
143.08578	28.4
145.02916	2.2
145.10164	20.6
147.08023	3.5
147.11705	31.4
149.09605	2.0
149.13274	3.0
157.10161	12.1
159.11713	15.6
161.02402	3.3
161.09705	2.2
161.13290	29.2
163.03928	18.0
163.11177	3.4
169.30411	1.6
171.11696	18.1
173.02359	9.7
173.13284	19.9
175.11223	5.1
175.14825	10.5
177.12660	2.2
185.13257	17.4
187.14857	2.6
189.12711	3.1
191.14304	2.3
199.14856	12.6
201.16403	2.2
202.21802	1.6
213.16397	2.5
215.07025	14.1
215.17905	1.9
217.15942	2.2
217.19620	1.9
222.19589	1.8
231.21109	5.7
241.12617	1.8
241.19545	33.9
241.27271	3.0
259.09698	10.3
259.13126	3.3
259.20602	100.0
259.28244	37.0
277.11011	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	260.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26959	0.5
54.13611	0.6
56.05031	2.1
56.96560	1.9
57.03442	5.0
57.07079	3.8
65.03931	0.9
65.23293	0.5
67.05508	5.9
69.07057	1.0
69.32918	3.7
69.33339	1.2
70.06590	2.3
70.87756	0.6
71.01355	0.7
71.04990	1.3
72.08142	1.3
74.02444	2.8
84.04510	8.5
84.08147	100.0
85.02908	66.0
85.04845	2.0
85.06543	1.5
85.08469	3.8
86.09708	11.7
95.04977	8.2
97.02867	1.0
98.97555	3.1
102.05563	1.4
102.09174	1.0
102.33009	0.6
103.03941	0.9
107.08586	0.5
109.02848	0.7
110.97504	0.6
112.07610	0.9
113.02384	0.8
113.06017	14.5
113.07111	0.6
114.06405	0.6
120.04452	1.7
124.07576	0.8
128.98677	0.8
129.10271	1.3
130.05035	1.9
130.06558	1.4
130.08647	44.3
131.03391	5.4
131.05397	0.7
131.08990	2.6
132.10188	1.6
136.77669	0.5
141.06577	4.1
147.11237	0.7
148.05974	0.7
150.09155	1.1
153.92821	0.6
168.10272	1.7
191.02908	0.7
196.09694	3.5
197.10033	1.4
204.13875	0.9
214.10764	10.1
219.01938	0.8
232.10968	1.1
237.02792	1.4
242.10245	1.9
260.07025	0.8
260.11304	10.4
260.19830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0308
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
56.96573	1.5
60.95864	0.1
71.19876	0.3
71.95268	0.2
82.99881	0.5
84.96063	0.2
91.09977	0.1
98.97591	8.1
99.97947	0.2
100.97199	0.2
101.00887	4.6
102.01007	0.3
102.96890	0.4
115.32111	0.1
116.98633	3.7
118.98212	0.2
118.99092	0.2
119.01928	8.8
120.02020	0.8
120.97910	0.3
121.01689	0.2
128.98659	0.2
134.99702	1.7
137.02940	1.3
138.03047	0.1
140.98825	0.7
142.03494	0.4
143.00122	0.1
147.43163	0.1
149.02405	0.4
158.99890	2.7
161.01230	0.1
161.02971	0.3
165.99722	0.3
170.99701	0.2
173.01276	0.2
175.03107	0.2
177.00958	15.3
178.01089	0.5
182.99818	0.9
185.03046	0.2
189.00653	0.2
191.02361	0.2
193.04111	0.2
196.08113	0.2
199.03033	0.2
200.02629	0.2
201.00946	2.7
201.02824	0.2
214.93901	0.2
217.04073	2.2
217.06064	0.2
219.02016	21.9
220.02092	0.7
221.01976	0.6
225.00888	2.2
227.99788	0.2
234.00826	0.3
236.95450	0.2
236.98679	0.4
237.02837	0.5
237.98763	4.1
238.09288	0.5
238.95894	0.2
238.98323	1.3
242.03551	0.2
243.02010	12.4
244.02155	0.6
256.96680	0.3
261.03067	100.0
262.03220	3.9
263.03461	0.4
266.03525	0.3
275.04645	0.5
278.97211	0.3
279.00592	3.1
279.03705	0.2
284.04669	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03951	2.2
55.01883	0.9
55.05514	11.9
57.03432	1.3
57.07080	2.7
65.03932	2.0
67.05509	41.4
69.07072	11.5
69.35970	3.3
71.04998	1.8
71.08630	1.0
77.03931	1.4
78.45324	0.4
79.05496	57.1
79.87074	0.4
81.07060	47.1
83.04990	1.1
83.08627	8.1
85.06553	3.4
85.10235	0.5
91.05486	29.2
93.07048	73.8
95.04976	4.2
95.08613	34.2
97.06530	3.2
97.10185	3.2
99.08098	3.9
105.04525	1.4
105.07039	19.4
107.08599	48.3
109.06533	1.5
109.10159	14.2
111.08103	2.6
111.11744	0.7
112.35221	0.4
113.09654	1.8
115.05371	0.4
117.07023	7.0
119.06036	0.5
119.08593	15.2
121.10148	43.3
123.08073	1.6
123.11716	4.4
125.09637	1.1
127.17589	0.4
129.07028	0.5
131.07590	0.8
131.08578	15.3
133.10135	12.9
135.08066	0.6
135.11697	33.2
137.09642	1.4
137.13275	1.1
139.11197	0.8
145.10132	15.1
147.11690	11.3
149.09631	1.1
149.13269	28.0
151.11217	1.1
151.14876	1.1
153.12770	0.8
159.11707	11.1
161.13263	12.4
163.11214	0.8
163.14832	19.1
165.12782	0.9
171.11710	0.4
173.13271	10.2
175.14836	4.1
177.12773	0.6
177.16415	5.1
179.14323	1.8
187.14838	6.1
189.16415	1.2
191.14345	0.4
193.15894	0.6
201.16402	2.6
203.17995	0.5
205.15897	0.9
215.17896	2.5
217.19398	0.6
219.17497	0.9
233.22701	1.0
243.21103	28.5
249.59624	0.4
261.22150	100.0
262.22488	1.1
281.50778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01875	0.8
55.05513	11.8
57.03436	1.8
57.07085	4.2
65.03954	2.1
67.05510	43.2
69.07076	13.6
70.99123	0.5
71.04999	2.6
71.08639	1.5
77.03946	0.6
79.05499	56.2
81.03439	0.8
81.07065	48.4
83.04963	1.2
83.08620	6.8
85.06551	3.1
91.05489	31.0
93.07053	75.1
95.04974	3.3
95.08616	37.0
97.06541	3.5
97.10197	2.9
99.08094	2.9
105.04542	0.8
105.07042	19.8
107.08604	52.5
108.70641	0.5
109.06523	1.4
109.10165	14.0
111.08078	3.1
113.09663	1.7
117.07009	6.2
117.78976	0.5
119.08591	16.2
121.10152	42.9
123.08074	2.1
123.11717	6.2
125.09631	1.4
131.08585	14.7
133.09114	1.0
133.10135	13.2
135.08096	0.9
135.11705	37.9
137.09645	2.2
137.13272	1.5
139.11201	0.8
145.10139	16.1
147.11697	10.9
149.09621	1.0
149.13274	27.8
151.11226	0.8
151.14871	0.8
153.12854	0.6
154.27658	0.5
159.11699	10.2
160.38327	0.5
161.13278	12.8
163.11162	0.6
163.14838	21.1
165.12785	1.0
168.68329	0.5
173.13283	10.2
175.14841	4.9
177.12805	0.8
177.16397	6.1
179.14381	1.3
187.14836	8.9
189.16360	0.6
192.79379	0.5
201.16376	3.8
203.17967	0.6
205.15854	0.6
215.17981	1.4
219.17461	1.2
222.31229	0.6
225.88916	0.5
226.59795	0.6
233.22701	1.5
243.21104	31.3
261.22168	100.0
262.22610	0.8
272.43652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02391	0.8
53.03954	2.5
55.01868	0.7
55.05517	14.2
57.03446	1.0
57.07086	3.0
58.29775	0.3
61.03038	0.4
61.48960	0.4
65.03953	2.5
67.05512	39.4
69.07076	12.8
69.07454	0.5
70.24072	0.4
71.04985	2.6
71.08643	1.1
71.25375	0.5
77.03935	1.2
79.05502	60.7
81.03405	0.6
81.07067	47.1
83.05003	0.5
83.08627	7.2
85.06553	3.4
91.05491	28.7
93.07054	73.7
95.04980	4.1
95.08617	34.7
97.06541	3.3
97.10184	2.3
99.08110	3.1
105.04552	1.4
105.07043	19.9
107.08606	48.9
108.08957	0.4
109.06531	1.8
109.10172	15.2
109.10926	0.9
111.08080	3.4
111.11741	0.6
113.09663	0.9
117.07021	6.9
119.06124	0.7
119.08598	15.7
121.10156	41.8
123.08073	1.5
123.11720	4.1
124.62946	0.4
125.09621	1.1
127.11193	0.5
129.06985	0.7
130.07820	0.6
131.08586	15.1
133.10149	14.5
134.04044	0.4
135.08090	0.7
135.11710	35.2
137.09627	1.7
137.13264	1.4
139.11151	0.8
143.08595	0.4
145.10135	14.8
147.11705	11.2
149.09621	1.2
149.13272	27.7
151.11220	1.2
151.14807	0.5
153.12802	0.8
157.10162	0.5
159.11708	10.5
161.13280	12.7
163.11176	0.5
163.14839	17.7
165.12798	1.2
167.14316	0.6
171.11621	0.5
172.95323	0.5
173.11786	0.5
173.13284	10.8
175.14798	4.4
177.16417	4.7
178.16644	0.4
179.14363	1.6
187.14835	7.7
189.16420	0.8
191.14391	0.5
193.15939	0.5
201.16420	3.4
205.15874	0.9
215.17966	1.2
217.19501	1.0
219.17458	0.9
233.22668	1.1
243.21115	30.9
244.21417	0.6
261.22168	100.0
262.22549	1.1
266.06775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03956	3.2
55.01875	0.5
55.05515	16.5
56.37420	0.5
56.96569	0.5
57.03441	1.7
57.07082	4.9
65.03943	2.3
67.05511	46.0
69.07072	12.0
69.36308	4.3
70.52336	0.5
71.04988	2.0
71.08634	1.9
75.80857	0.4
77.03915	1.1
79.05500	65.3
81.07063	50.6
81.65849	0.5
83.04980	0.7
83.08622	8.8
85.06551	3.5
86.43930	0.5
91.05488	31.3
93.07054	81.7
95.04979	5.6
95.08616	40.4
97.06526	3.8
97.10173	3.4
98.97593	0.6
99.08104	4.2
103.05482	0.6
105.04528	1.7
105.07035	20.5
107.08604	52.9
109.06530	2.1
109.10165	15.5
111.08083	3.5
111.11685	0.5
113.09669	1.3
117.07032	7.1
119.06057	0.8
119.07922	0.3
119.08585	16.2
121.10153	45.5
123.08104	2.0
123.11726	4.8
125.09594	1.1
129.07077	0.9
131.08575	17.4
133.10136	14.0
135.08080	1.0
135.11705	35.1
137.09616	1.6
137.13260	1.4
139.11188	1.0
145.10138	16.1
145.11290	0.8
147.11684	11.3
149.09671	0.8
149.13272	29.9
151.11194	1.4
151.14784	0.9
153.12732	1.0
159.11713	10.9
161.13261	12.4
163.14832	20.5
165.12788	1.5
173.13271	12.5
175.14838	4.7
177.16402	5.3
179.14316	2.0
187.14842	6.8
189.16414	0.8
191.14308	0.8
201.16364	2.9
203.17984	1.3
205.14165	0.8
205.15970	0.6
215.17993	2.0
217.19501	0.7
219.17413	0.6
233.22632	1.2
243.21100	30.7
261.22162	100.0
262.18066	0.4
262.22430	0.9
281.25308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03957	4.4
55.05517	15.4
57.03431	2.7
57.07071	4.8
65.03935	1.1
65.86590	0.8
67.05511	51.5
69.06779	0.9
69.07075	12.0
69.22663	1.5
69.23075	6.6
71.05003	3.9
71.08638	1.3
79.05501	65.0
81.03433	0.9
81.07065	59.6
83.04980	1.6
83.08633	8.4
85.06560	4.5
85.10169	0.9
86.64474	0.8
91.05489	34.1
93.07056	83.3
95.04983	5.1
95.08615	37.9
97.06559	5.3
97.10164	3.4
98.21575	1.6
99.08105	4.3
102.49107	0.9
105.04527	1.4
105.07046	21.2
107.08605	49.5
109.06527	3.3
109.09447	1.6
109.10167	18.1
111.08061	3.1
113.09648	2.1
117.07030	8.7
119.08598	17.4
121.10155	49.1
123.08089	2.8
123.11737	5.4
125.09668	1.8
131.08582	17.3
133.10138	15.2
135.08127	1.0
135.11711	39.9
137.09612	2.3
137.13271	1.3
139.11209	1.3
145.10139	16.5
147.11703	15.4
149.13275	28.3
151.11229	1.1
151.14888	1.3
159.11722	11.1
161.13280	14.5
163.11246	0.9
163.14845	21.0
165.12808	2.0
173.13269	11.0
175.14888	6.0
177.16368	5.2
187.14856	8.2
189.16342	1.7
191.14362	1.4
192.89143	0.9
201.16377	3.5
205.15921	2.0
215.17973	2.8
217.19402	1.1
219.17497	1.1
233.22736	1.2
235.70428	0.8
243.21111	30.7
244.21596	1.0
261.22171	100.0
262.22446	1.5
269.00903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16353	0.5
53.96503	0.6
56.96574	1.0
56.99041	0.6
57.03448	3.1
57.06699	0.5
58.99577	0.8
67.05519	0.6
69.07076	7.2
70.71365	1.9
71.71278	0.6
78.97436	0.6
84.04527	0.8
85.02914	47.5
86.00655	1.5
86.09712	100.0
87.12340	0.8
95.08648	0.6
113.04320	0.7
120.08128	0.8
131.03389	3.5
132.01166	1.9
132.10217	25.5
147.73895	0.7
156.08444	2.1
162.02090	0.6
170.11847	3.1
198.11314	2.1
202.08987	4.3
216.10522	2.3
216.12329	17.1
230.57152	0.7
241.08360	3.1
244.11809	1.2
262.11072	2.1
262.13239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83177	100.0
75.45498	19.9
81.44547	19.6
86.61358	22.9
143.01897	42.6
146.23878	20.1
161.03000	51.5
263.01694	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71307	100.0
72.34524	16.0
112.50124	17.3
229.74672	15.6
263.01617	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55309	0.5
55.05502	0.8
56.96560	1.4
67.05508	0.8
69.03423	0.7
69.88166	2.2
79.05479	0.5
81.07054	1.3
83.08596	0.6
91.05463	0.6
91.21930	0.6
93.07030	1.5
95.04993	0.6
95.08624	0.7
97.06534	0.5
98.97604	0.7
104.99293	5.9
105.07041	0.9
107.08662	0.7
119.04855	0.5
121.10139	0.8
131.08545	0.4
133.10114	0.5
133.79808	0.5
135.11633	0.6
143.08607	0.5
147.08128	0.6
147.11662	0.5
150.70506	0.5
160.01523	0.7
165.07077	0.7
171.08011	0.6
178.07797	0.8
179.08554	1.6
189.07088	0.5
189.09206	0.6
190.07877	1.0
191.08620	3.2
192.09305	4.4
193.10228	0.6
202.07788	10.1
202.09529	0.9
203.03375	0.6
203.08606	3.0
205.06509	9.5
205.10242	0.7
206.07341	1.1
207.08224	0.6
207.11697	3.1
215.08640	1.2
216.09381	1.0
217.10152	8.5
218.07248	1.1
219.08064	11.2
220.08853	34.3
221.04420	2.3
221.09613	1.4
226.07768	0.7
227.08583	0.9
230.07249	0.8
231.08150	4.5
233.09642	2.1
233.12959	0.5
234.06798	0.8
234.10402	1.5
235.11197	16.4
245.09633	12.1
246.10521	0.6
247.07596	6.2
248.08368	24.3
249.08830	0.6
261.08917	0.6
263.10703	100.0
264.11093	1.4
284.31018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1069
Annotation	1,6-Dimethoxypyrene
Peak:m/z	Relative Intensity
53.55309	0.5
55.05502	0.8
56.96560	1.4
67.05508	0.8
69.03423	0.7
69.88166	2.2
79.05479	0.5
81.07054	1.3
83.08596	0.6
91.05463	0.6
91.21930	0.6
93.07030	1.5
95.04993	0.6
95.08624	0.7
97.06534	0.5
98.97604	0.7
104.99293	5.9
105.07041	0.9
107.08662	0.7
119.04855	0.5
121.10139	0.8
131.08545	0.4
133.10114	0.5
133.79808	0.5
135.11633	0.6
143.08607	0.5
147.08128	0.6
147.11662	0.5
150.70506	0.5
160.01523	0.7
165.07077	0.7
171.08011	0.6
178.07797	0.8
179.08554	1.6
189.07088	0.5
189.09206	0.6
190.07877	1.0
191.08620	3.2
192.09305	4.4
193.10228	0.6
202.07788	10.1
202.09529	0.9
203.03375	0.6
203.08606	3.0
205.06509	9.5
205.10242	0.7
206.07341	1.1
207.08224	0.6
207.11697	3.1
215.08640	1.2
216.09381	1.0
217.10152	8.5
218.07248	1.1
219.08064	11.2
220.08853	34.3
221.04420	2.3
221.09613	1.4
226.07768	0.7
227.08583	0.9
230.07249	0.8
231.08150	4.5
233.09642	2.1
233.12959	0.5
234.06798	0.8
234.10402	1.5
235.11197	16.4
245.09633	12.1
246.10521	0.6
247.07596	6.2
248.08368	24.3
249.08830	0.6
261.08917	0.6
263.10703	100.0
264.11093	1.4
284.31018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1069
Annotation	1,6-Dimethoxypyrene
Peak:m/z	Relative Intensity
55.05486	0.9
55.58459	0.8
56.96560	1.5
67.40016	0.7
70.71867	1.8
70.72232	1.4
78.52327	0.7
79.05463	1.1
81.07053	1.1
91.05472	1.7
93.07037	1.1
95.08634	0.9
97.06542	1.2
98.97614	1.5
104.99271	6.8
105.07011	1.1
116.98618	1.2
119.08649	0.7
135.11739	0.9
141.69040	0.8
165.06969	2.2
177.00864	0.8
178.07741	3.4
179.08530	3.0
189.07025	0.8
191.08571	8.5
192.07745	1.1
192.09346	15.6
202.06087	1.4
202.07805	15.3
203.08626	5.5
205.06512	30.5
207.11743	5.0
215.08545	2.6
216.09348	1.4
217.10152	11.7
218.10904	1.1
219.08087	26.6
220.08852	84.5
221.09395	2.3
231.08063	1.2
233.09596	1.1
234.10356	2.2
235.11200	42.6
240.05443	0.9
245.09608	4.5
247.07547	2.6
248.08376	16.7
263.10617	100.0
263.16516	2.6
264.10925	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03961	1.4
53.65005	0.8
55.01867	1.2
55.05260	1.0
55.05518	14.2
57.03435	1.9
57.07080	12.3
65.03948	2.2
67.05511	90.5
69.03419	0.9
69.07076	19.2
69.83167	1.2
69.83573	2.8
70.00882	0.7
71.04980	1.6
71.08639	6.1
79.05502	21.7
81.07066	100.0
83.04979	2.1
83.08623	12.2
85.06548	4.6
85.10193	3.0
85.46664	0.6
91.05489	18.9
91.34921	0.7
93.07055	25.5
95.04974	1.5
95.08617	95.1
96.08958	0.7
96.91213	0.7
97.06540	8.4
97.10196	7.4
98.20782	1.3
99.08109	6.3
104.99297	4.0
105.07043	13.2
107.08607	15.4
109.06535	0.7
109.10168	47.0
111.08100	4.7
111.11768	0.9
113.09661	3.4
119.08600	13.1
121.10155	18.8
123.08088	2.8
123.11723	19.5
125.09556	1.5
127.11195	1.6
131.08583	1.0
133.10146	13.8
135.11714	10.9
137.09610	2.2
137.13266	7.8
139.11171	1.2
141.12762	2.4
146.34296	0.8
147.11696	11.7
149.13271	8.6
151.14830	9.7
155.14294	1.7
161.13269	11.8
163.14812	7.2
165.12698	1.0
165.16408	8.1
167.14363	0.9
175.14867	7.4
177.16394	1.0
179.17967	4.5
181.15900	1.6
189.16396	3.7
203.18002	1.6
205.06512	1.0
207.17590	1.0
217.15907	1.6
217.19536	1.3
219.08101	1.0
220.08833	5.1
221.19044	1.3
235.11095	3.2
245.22678	30.4
248.08257	3.4
263.10730	10.1
263.23730	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03954	1.6
55.01891	0.9
55.05513	14.7
57.03442	2.3
57.07082	11.1
60.14798	0.7
65.03946	2.8
67.05511	81.3
69.07076	16.3
69.36533	6.0
71.04977	0.8
71.08641	5.5
79.05499	20.2
81.07066	100.0
83.04989	1.6
83.08630	13.6
85.06566	4.2
85.10182	3.7
91.05492	18.5
93.07053	22.8
95.04981	1.8
95.08616	83.0
97.06545	6.4
97.10188	6.7
98.21471	1.0
99.08101	5.8
104.99281	3.2
105.07047	10.9
107.08604	13.0
109.10170	41.5
109.38678	0.8
111.08092	5.4
111.11749	1.7
113.09660	3.0
118.78471	0.7
119.08597	10.6
121.10152	14.3
123.08103	1.9
123.11720	19.4
125.09620	1.0
127.11201	2.5
133.10139	14.1
133.11078	1.0
135.11702	8.5
137.09654	2.1
137.13258	7.8
141.12799	1.6
147.11699	9.9
149.13269	10.9
151.11259	1.3
151.14804	6.7
155.14345	1.1
161.13257	9.2
163.14813	8.4
165.12779	1.1
165.16396	9.9
167.14293	0.9
175.14816	7.5
177.16418	1.4
179.17995	3.3
181.15891	1.5
189.16415	3.1
201.08218	0.9
203.17958	1.4
210.57813	0.7
245.22675	29.2
263.14755	5.0
263.23724	61.2
264.24286	0.9
282.15945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03952	2.4
55.01874	1.0
55.05514	15.9
57.03445	2.2
57.07079	10.3
65.03947	2.6
67.05510	90.5
69.03403	0.9
69.07072	18.8
71.04994	2.6
71.08642	5.7
71.16275	1.6
74.59605	0.7
79.05500	25.0
81.07065	100.0
83.04995	2.0
83.08630	13.8
85.06560	3.1
85.10189	3.2
85.35514	0.7
91.04962	1.4
91.05492	16.6
93.06465	1.4
93.07053	22.7
93.32984	0.7
95.04977	1.8
95.08615	87.1
97.06548	7.1
97.10165	7.7
99.08119	5.1
104.99279	4.9
105.07036	12.2
107.08602	11.6
109.06511	1.3
109.10166	45.2
111.08101	4.4
111.11686	1.8
113.09665	2.8
117.07078	1.2
119.08588	11.5
119.09350	1.0
121.10151	18.1
123.08084	2.4
123.11718	19.2
125.09692	0.9
127.11223	0.9
133.10138	14.3
135.11697	10.3
137.09586	2.1
137.13251	7.0
139.11224	0.9
141.12752	3.0
147.11702	11.0
149.13284	7.6
151.11256	1.2
151.14833	8.8
155.14328	1.3
159.11641	0.9
161.13274	9.3
163.14822	6.3
165.12752	1.2
165.16403	9.1
167.14320	0.9
175.14832	7.5
177.16437	2.2
179.18004	4.1
181.15953	1.4
189.16405	3.4
203.17996	1.7
217.19429	1.0
219.21042	1.0
233.01292	0.8
245.22670	32.3
263.14655	1.6
263.17911	2.2
263.23721	68.8
265.24313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2373
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03954	2.3
55.01879	1.2
55.05516	14.1
57.03436	2.0
57.07078	11.0
57.35931	0.8
65.03951	2.3
67.05511	88.9
69.07074	16.7
71.04989	2.2
71.08635	5.9
71.55427	0.8
79.05496	20.3
81.07063	100.0
83.04987	2.2
83.08630	14.2
85.06536	4.1
85.10188	3.1
91.05057	0.4
91.05491	16.1
93.07055	22.6
93.07632	1.3
95.04980	0.9
95.08616	82.2
97.06545	7.8
97.10166	8.0
97.10713	0.9
99.08112	5.4
104.99297	4.3
105.07043	11.7
107.08606	15.2
109.06533	1.9
109.10166	39.6
111.08096	3.8
111.11741	1.5
113.09658	3.5
113.89672	0.6
117.07034	0.9
119.08588	11.1
121.10157	17.4
123.08047	3.4
123.11715	18.9
125.09617	1.9
127.11186	1.2
128.31796	0.6
133.10146	14.3
135.11711	11.1
137.09659	2.2
137.13255	7.1
137.46144	0.6
141.12788	2.2
147.11711	8.9
149.13245	8.5
151.11198	0.7
151.14822	7.9
153.12735	0.7
154.82675	0.7
155.14336	1.4
161.13254	8.4
163.14835	6.7
165.12817	0.9
165.16411	7.8
175.14845	6.7
177.16420	1.9
179.17950	3.7
181.15912	1.2
189.16431	3.1
195.17357	0.7
203.17915	0.9
217.19543	1.4
245.22670	30.7
263.08417	0.8
263.23724	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
53.06815	1.9
55.01876	2.7
55.05516	18.5
56.85424	1.9
57.07080	11.5
57.82573	2.0
67.05514	100.0
69.07075	18.5
71.08620	8.5
71.55527	3.3
79.05501	25.1
80.15083	2.0
81.07067	99.4
83.08624	16.5
85.06554	3.5
85.10172	2.8
91.05482	21.8
93.07056	27.5
95.04964	2.8
95.08616	92.1
97.06535	9.0
97.10164	8.4
99.08104	7.3
104.99286	10.0
105.07035	13.1
107.08611	16.3
109.06525	5.1
109.10170	38.5
111.08081	4.0
111.11691	2.2
113.09660	2.8
117.07033	2.1
119.08602	13.3
121.10157	18.8
123.08067	2.5
123.11733	20.5
127.11254	2.6
133.10159	17.7
135.11717	9.2
137.09605	3.5
137.13214	7.8
147.11746	11.4
149.13298	4.2
151.14801	3.9
161.13261	11.1
163.14856	9.8
165.16423	10.0
175.14850	6.8
177.16441	3.1
209.09676	1.9
235.41270	2.2
245.22691	26.8
263.16257	3.4
263.18082	3.1
263.20538	3.4
263.23737	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05505	0.7
56.96552	1.7
59.06407	0.5
67.05492	1.7
69.03435	0.8
69.07076	0.6
69.87950	1.9
74.40008	0.6
76.50384	0.5
76.63984	0.4
79.05489	1.7
80.58137	0.4
81.03420	1.8
81.07062	1.4
85.06548	0.8
91.05466	1.0
93.07043	0.6
95.04964	0.6
95.08617	0.7
97.06555	1.0
98.21428	0.6
105.07041	0.9
107.04964	1.5
107.08556	0.6
108.87883	0.4
115.05463	0.6
117.07005	0.5
119.08566	0.9
121.02845	0.7
121.06501	1.0
122.07153	1.7
127.75885	0.4
129.07013	0.7
131.04836	0.6
136.60779	0.5
145.06525	1.2
145.10168	1.0
158.07343	0.7
163.11118	0.6
165.07051	2.3
166.07805	1.0
167.07246	0.5
167.08603	1.4
178.07761	3.0
179.08592	3.6
180.09447	1.2
181.06528	0.9
181.10167	1.8
183.08015	0.7
189.06984	2.9
190.07750	1.5
191.08617	3.4
192.09325	1.6
193.10152	1.8
194.07268	1.9
194.10930	1.6
195.08110	1.9
195.11665	0.8
202.07889	2.3
203.08638	4.5
204.09386	5.8
205.06541	1.1
205.10161	2.6
206.07310	0.9
207.08083	11.1
207.11716	1.5
208.08832	5.8
209.09644	4.1
209.13193	1.1
210.10410	0.5
215.08560	1.5
217.10185	1.4
218.07272	1.8
219.08134	2.8
219.11703	7.7
220.08905	3.6
221.06198	0.6
221.09665	7.6
222.10419	24.3
223.11168	3.0
224.08322	0.8
229.10138	1.4
231.08093	3.1
232.08884	11.1
233.09702	4.1
234.06721	1.8
235.07570	13.6
235.11047	2.8
236.08212	1.5
236.11963	0.6
237.09267	2.5
237.12773	21.4
247.11241	11.4
247.13428	0.4
248.08363	1.0
249.09125	6.8
250.09918	39.8
251.10706	3.5
263.10693	1.1
265.12256	100.0
266.12872	3.5
283.08643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1225
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
53.22501	0.4
53.33861	0.4
55.01860	1.2
56.96554	0.5
57.07062	1.6
57.92762	0.4
59.47823	0.4
59.63257	0.4
62.64117	0.4
63.25905	0.4
67.05490	1.8
69.03410	0.9
69.10468	0.4
69.92049	2.4
71.63307	0.4
72.75597	0.4
81.07037	0.5
91.05480	0.6
94.67464	0.4
95.08581	0.6
98.21419	0.6
99.51197	0.5
109.10077	0.5
122.07164	0.5
145.06494	0.8
153.06995	0.5
165.06987	2.0
166.07794	0.9
167.08578	1.0
170.02031	0.4
174.22768	0.5
178.07799	1.4
179.08591	5.5
180.09354	0.9
181.06491	1.7
181.10103	1.6
189.06975	2.0
190.07782	1.5
191.08612	2.6
193.10153	1.4
194.07262	2.1
194.10916	1.4
195.08076	3.3
196.08861	1.0
197.09642	0.5
202.07776	1.0
203.08583	4.0
204.09366	5.3
205.06380	0.6
205.10156	1.9
206.07321	1.5
207.08064	13.3
208.08873	7.3
209.09660	3.6
209.13300	0.6
215.08502	1.1
218.07318	1.1
219.08134	1.0
219.11754	4.1
220.08833	1.1
221.09616	7.8
222.10411	20.7
223.11168	3.0
224.08405	0.7
226.39767	0.6
229.10167	0.8
231.08086	3.5
232.08846	5.9
233.09587	2.5
234.06757	1.3
235.07567	12.9
235.11139	0.7
237.09187	2.3
237.12744	7.1
247.11247	6.7
249.09071	3.9
250.09930	23.5
265.12253	100.0
266.12595	1.4
281.42844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1226
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
50.47120	0.4
51.41838	0.4
56.94273	0.4
56.96574	0.3
57.13322	0.4
66.85627	0.4
70.24728	1.6
91.05462	0.6
92.97437	0.4
107.04923	0.8
121.06536	0.9
122.07137	0.6
129.20886	0.4
155.08531	0.6
165.07080	0.6
171.08017	0.5
179.08527	1.2
180.09512	0.4
181.10014	0.4
182.07359	0.6
189.07057	0.8
191.08582	1.0
194.07291	0.6
195.08087	1.3
202.07790	1.2
203.08563	3.6
204.09390	4.9
206.44710	0.4
207.08069	2.9
208.08821	2.0
209.09544	0.9
215.08533	0.9
218.07265	0.7
219.08133	1.1
219.11685	3.7
220.08714	0.6
221.05991	0.5
221.09634	1.7
222.10410	5.5
224.08316	0.9
227.40334	0.4
228.09294	0.7
229.10188	2.3
230.10684	0.4
231.08058	3.3
232.08833	9.9
233.09668	3.2
235.07570	7.4
235.11249	0.7
237.09204	2.7
237.12766	4.3
241.56818	0.5
245.09586	1.1
247.11230	12.3
248.08322	0.9
249.09184	4.7
250.09914	29.2
251.10281	0.5
263.10733	0.9
265.12253	100.0
266.12674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1226
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
50.37521	0.3
54.93344	0.3
55.05512	0.6
56.96553	0.7
66.68036	0.3
67.05503	0.4
67.28461	0.3
69.03430	0.3
69.73941	1.6
71.40079	0.3
79.05526	0.3
81.07043	0.7
89.60618	0.3
91.05470	0.6
93.07072	0.5
95.04948	0.4
95.08594	0.5
102.13299	0.3
105.06988	0.3
107.04941	0.5
121.02862	0.7
121.10143	0.3
122.07146	0.8
146.25844	0.3
163.95918	0.3
165.07013	0.7
167.08600	0.4
178.85144	0.3
179.08530	0.7
181.06480	0.7
181.10149	0.6
183.08060	0.7
189.07071	0.6
191.08528	0.9
193.10141	0.9
194.07249	1.0
195.08075	2.4
196.08791	0.4
203.08542	1.0
204.09396	1.0
205.06525	0.8
205.10121	0.8
206.07349	0.4
207.08076	3.5
208.08884	1.9
209.09610	2.1
218.07257	2.0
219.08147	1.7
219.11699	2.2
219.13667	0.5
220.08719	0.4
221.06056	0.6
221.09618	2.5
222.07066	1.6
222.10406	11.5
223.11212	0.9
229.10213	0.5
231.08052	0.6
232.08832	5.5
233.09622	4.1
234.06737	4.1
235.07562	13.7
235.11200	0.8
236.08209	0.9
236.12059	0.3
237.09189	3.1
237.12749	5.9
247.07503	1.5
247.11226	3.1
247.13321	0.5
248.08311	1.4
248.11992	0.4
249.09128	9.1
250.09917	30.5
251.10564	1.2
263.10608	0.6
264.11533	3.1
265.12247	100.0
266.12961	5.1
283.08707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1225
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
55.05503	3.1
67.29595	0.8
69.03427	1.7
71.06522	1.7
73.53586	0.8
84.08128	0.8
95.30769	0.8
107.95048	0.8
112.53774	1.0
138.85674	0.9
153.43822	0.8
165.07018	4.2
167.08603	2.3
168.09309	0.9
178.07753	2.4
179.08513	1.7
180.09262	1.2
181.06552	5.3
181.10086	4.9
182.07324	3.4
183.08040	1.5
189.07004	1.1
191.08571	1.8
193.10149	4.6
194.07292	2.4
194.10912	1.0
195.08083	18.3
196.08847	1.8
202.07686	1.7
203.08574	3.4
204.09370	9.0
205.10141	3.4
206.07169	1.1
207.08046	11.6
208.08849	9.1
209.09627	3.6
209.13297	3.4
218.07278	1.2
219.11697	19.7
221.09642	9.7
222.10426	34.9
232.08815	3.1
233.09596	2.5
234.06909	1.5
235.07578	9.3
237.12758	100.0
238.13138	1.1
247.11191	3.4
249.09137	4.5
250.09917	21.6
251.10602	1.2
265.12259	86.6
266.12692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
63.86099	0.9
69.03424	3.3
70.70777	3.1
79.05512	1.2
81.07027	1.0
81.76571	0.8
83.64987	0.9
89.30944	0.9
122.07198	1.0
153.06960	1.4
165.07016	4.9
166.07790	1.7
167.08606	2.0
170.82245	1.0
178.07802	2.2
179.08598	4.5
181.06581	4.7
181.10159	5.6
182.07283	3.8
183.08095	4.2
189.06992	2.0
190.07932	1.3
191.08571	2.3
193.10141	8.8
194.07294	4.5
194.10951	1.4
195.08084	26.1
195.11766	1.2
196.08853	3.2
203.08551	2.3
204.09358	5.6
205.10155	2.1
206.07378	1.3
207.08060	15.3
208.08882	8.5
209.09636	11.8
209.13246	3.4
218.07379	1.1
219.11697	20.0
221.09645	11.4
222.10431	34.7
223.11252	1.2
232.08784	2.8
233.09546	2.5
234.06699	3.4
235.07509	6.7
237.08989	3.8
237.12759	100.0
238.13109	1.1
247.11302	2.5
248.08347	1.4
249.09163	4.1
250.09915	15.5
251.10641	1.0
265.12265	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.8
57.07081	1.5
57.63493	0.7
57.89675	0.7
62.88976	0.7
69.03419	2.1
81.01859	0.6
81.07056	1.1
92.22627	0.8
98.21522	1.5
116.85849	0.8
121.56937	0.7
165.07057	1.2
178.07809	1.8
179.08582	2.4
189.06964	2.0
191.08578	1.1
193.10159	1.9
194.07326	0.8
194.10852	1.4
195.08044	2.8
196.08853	0.9
202.07730	0.9
203.08636	4.4
204.09343	6.0
205.10143	1.9
206.07280	2.5
207.08081	9.9
208.08861	3.7
209.09637	3.2
209.13275	1.9
215.08504	1.1
218.07285	1.0
219.08238	0.8
219.11743	8.9
221.06017	1.5
221.09616	8.0
222.10416	21.8
223.11079	2.7
229.10126	2.8
231.08131	4.8
232.08858	19.0
233.09624	5.9
234.06764	1.9
235.07553	31.1
236.08301	2.6
237.09129	1.6
237.12764	20.8
247.11203	25.4
248.08423	1.0
248.12000	0.9
249.09105	7.2
250.09908	84.7
251.10519	1.8
263.90356	0.6
264.11459	0.8
265.12256	100.0
266.12598	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1226
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
53.03936	0.6
53.23977	0.5
55.01862	0.8
55.05504	1.1
56.96560	1.2
58.90855	0.5
67.05503	4.3
69.03424	1.2
69.07066	0.7
71.54979	0.8
79.05487	1.5
81.03410	1.6
81.07065	3.7
85.06558	1.1
90.03744	0.5
91.05506	0.7
93.07024	1.4
93.48402	0.5
95.08604	3.2
97.06521	1.0
105.07040	0.7
107.04939	1.1
107.08600	0.7
109.10155	2.4
115.05453	0.5
117.07018	0.6
119.08585	0.8
121.06549	0.6
121.10096	0.7
122.07145	0.9
123.11733	1.1
129.06995	0.8
135.11722	0.8
141.06906	0.5
145.06482	0.8
152.06305	0.6
153.07040	0.7
158.07274	0.7
163.46275	0.6
165.07011	2.9
166.07771	1.1
167.08574	2.0
169.06433	0.7
171.08029	0.9
178.01880	0.9
178.07799	2.4
179.08583	7.1
180.09418	0.6
181.06505	1.9
181.10158	1.7
182.07201	1.0
182.60950	0.5
189.07045	3.4
190.07935	0.8
191.08571	2.2
193.10219	2.9
194.07280	2.2
194.10928	3.4
195.08076	4.0
196.08849	1.2
198.13495	0.6
202.07857	1.0
203.08578	5.5
204.09363	6.0
205.06529	1.0
205.10161	3.0
206.07298	1.9
207.08070	17.1
208.08838	7.8
209.09641	5.2
209.13341	1.4
215.08476	0.7
215.19913	0.5
218.07283	1.1
219.08171	1.5
219.11755	7.3
220.08864	1.1
221.06088	1.2
221.09651	7.8
222.06841	1.1
222.10411	23.9
223.11140	1.6
224.08356	1.1
228.09282	0.7
231.08067	5.6
232.08829	12.1
233.09645	4.4
234.06802	2.1
235.07568	26.4
235.11145	1.0
236.08278	1.0
236.11902	1.1
237.09183	5.5
237.12746	10.0
241.56859	1.8
242.07077	0.8
246.10359	0.6
247.11205	9.0
249.09151	7.2
250.09914	45.6
265.12253	100.0
266.12628	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	265.1552
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
53.03951	0.8
55.05512	1.3
56.96577	3.5
57.03431	0.7
57.07078	0.4
58.73317	0.3
67.05514	0.7
69.03428	1.1
69.07078	0.6
69.68240	1.3
69.68668	0.9
70.06595	0.6
72.08167	5.4
79.05476	0.4
79.97153	0.3
80.05045	0.5
81.03423	1.5
81.04514	0.7
81.07058	0.6
83.04984	0.4
83.08604	0.4
84.04511	0.4
84.08144	0.7
84.96013	0.3
85.02918	1.0
86.03246	0.4
86.09748	0.5
89.86332	0.3
91.05480	1.2
93.07056	2.2
95.04959	0.8
97.02888	0.6
98.97599	2.3
103.04801	0.4
103.05486	7.1
105.03400	3.7
105.07046	0.6
109.02903	0.6
109.06514	0.4
112.99126	0.4
115.03977	0.3
116.98656	0.8
118.06588	0.6
118.08672	1.7
119.05008	0.4
120.08125	100.0
121.02885	1.9
121.08456	0.8
122.07186	4.7
125.05975	0.4
128.98662	0.3
129.03983	0.4
131.00227	0.4
135.09975	0.4
137.05936	0.5
144.04785	0.9
145.06538	0.4
147.04424	0.7
151.07431	0.4
163.03967	0.8
167.07076	1.5
173.06067	0.5
175.07491	0.6
187.04097	0.4
187.60069	0.4
191.07028	0.6
191.10632	0.4
197.01239	0.5
205.08777	0.4
219.14957	1.6
241.00156	0.7
247.09666	0.4
265.06769	1.2
265.15573	3.7
265.18253	0.5
265.19156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.03952	1.1
54.71131	0.4
55.05266	1.0
55.05516	13.6
56.68208	0.5
56.96574	4.2
57.05817	0.9
57.07085	0.7
61.02917	0.6
65.03940	0.5
67.05501	1.4
69.03437	2.0
69.07078	0.6
70.06606	1.4
71.05003	1.0
71.53975	0.6
72.08160	100.0
73.02930	0.7
78.67662	0.5
79.05483	0.6
81.03432	4.1
81.04548	0.8
81.07076	1.0
83.05032	0.7
84.08136	1.0
84.96056	0.7
85.02924	2.4
86.09710	1.7
91.05498	1.6
93.07050	0.8
94.92532	0.5
95.05003	0.6
95.08621	0.8
97.02910	1.3
98.97603	4.6
99.04463	0.5
103.05499	1.0
105.03393	2.4
105.07077	1.0
107.04971	0.5
107.08640	0.8
109.02918	1.8
110.06010	0.5
110.97603	1.4
115.03974	0.7
116.98608	2.6
117.07082	0.9
119.04985	0.7
119.08561	0.6
120.04514	0.6
120.08118	15.8
121.02884	5.1
121.06529	0.5
121.10149	0.9
122.07148	6.9
123.04484	0.8
127.03982	0.6
128.98557	0.9
129.03085	0.5
131.04927	0.8
137.05989	0.7
144.04817	1.1
145.06502	0.9
147.04408	2.6
149.06035	1.0
151.03975	0.5
152.27780	0.6
156.37869	0.6
158.99704	1.2
161.01262	0.7
163.07695	0.6
166.05035	0.8
166.08659	10.5
166.09952	1.0
167.07042	6.9
173.06096	0.9
175.07652	0.8
175.56551	0.6
177.05496	1.2
201.00705	0.5
207.06514	0.6
219.01808	1.4
221.01448	0.5
235.07692	0.6
237.02881	0.6
243.07147	1.4
247.10956	1.6
250.10077	1.4
265.07245	2.2
265.12241	2.6
265.15424	9.1
265.18579	1.1
269.12720	0.7
272.50742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29618	0.7
59.23168	0.7
63.70890	0.6
64.87083	0.8
70.10390	3.2
77.78165	0.6
81.03352	1.2
91.05443	0.7
103.28168	0.9
128.00546	0.7
156.28214	0.7
165.06914	0.9
167.08467	0.8
179.08478	1.4
180.09277	2.3
181.10060	1.2
189.07030	1.1
190.07881	3.4
191.08601	1.7
193.09998	0.9
194.07260	3.0
195.08020	3.0
195.11664	2.1
203.08571	1.4
205.10188	5.0
207.07996	2.9
208.08850	15.2
209.09612	8.0
210.10260	1.9
211.07385	1.0
215.08687	0.9
216.09366	0.8
218.07248	4.6
219.08072	1.7
220.12100	0.9
221.09528	2.2
222.10410	5.2
223.11177	19.8
225.09325	0.9
231.11670	1.2
232.08754	1.6
233.09627	10.5
234.10378	3.4
235.07494	2.1
236.08328	16.1
237.09129	11.5
237.12709	10.3
238.09650	1.2
238.13393	7.6
247.11198	1.2
248.11708	1.9
249.08939	1.0
249.12798	6.5
250.09921	5.7
251.10690	100.0
252.11214	1.6
265.12274	10.3
266.13007	95.0
267.10284	1.3
267.13416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43208	0.2
52.90342	0.3
58.46229	0.3
60.83551	0.2
64.44109	0.3
69.03366	0.3
70.99198	0.7
98.19534	0.3
137.39906	0.3
138.91058	0.2
145.35933	0.3
153.06937	0.3
158.07231	0.7
165.07007	1.6
166.07722	0.5
167.08601	0.5
171.08028	0.4
172.14914	0.3
175.10966	0.3
179.08495	0.7
180.09398	1.5
181.06435	0.4
181.10089	0.8
183.08141	0.4
189.06967	0.6
190.07787	3.1
191.08533	1.1
193.10159	0.4
194.07320	2.0
195.08075	1.6
195.11734	2.3
203.08556	0.6
204.09299	0.5
205.10172	4.5
206.07269	0.4
206.10747	0.3
207.08060	1.7
208.08855	13.2
209.09627	6.2
210.10223	1.0
211.07521	0.4
215.08548	0.8
218.07285	4.9
219.08104	1.3
219.11758	0.6
221.05962	0.8
221.09593	0.8
221.13167	0.5
222.06810	0.4
222.10414	2.4
223.11195	15.4
224.08313	0.5
225.09081	0.7
231.11615	0.5
232.08792	1.0
233.09625	7.6
234.10359	2.1
235.07489	1.5
236.08345	15.8
237.09128	11.1
237.12645	2.4
238.09671	0.8
238.13544	4.0
239.10657	0.9
247.11241	0.9
249.09163	0.4
249.10292	0.3
249.12752	2.9
250.09860	2.9
251.10689	100.0
252.11099	1.7
265.12259	4.8
266.13043	66.6
267.13382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31783	0.7
57.07047	0.9
60.75054	0.7
70.12608	2.5
78.45549	0.7
100.71653	0.7
136.97406	0.6
158.10573	0.7
165.06978	1.3
166.07654	1.0
179.08583	0.9
180.09264	2.1
181.06551	1.0
181.10104	1.1
189.07034	0.8
190.07779	3.7
191.08514	1.2
193.10008	0.8
194.07277	1.5
195.08040	2.0
195.11595	2.1
196.08649	0.7
205.10127	5.3
207.08014	1.6
208.08842	13.2
209.09601	6.9
210.13618	0.9
215.08543	0.7
218.07307	4.8
219.07965	1.7
220.12195	0.7
221.06004	1.1
221.09608	0.7
222.10284	2.6
223.11182	14.7
224.08293	0.8
224.15337	1.0
232.08698	1.1
233.09598	8.1
234.10320	2.3
235.07582	1.8
236.08325	13.8
236.15445	0.7
237.09097	13.2
237.12816	2.8
238.09839	2.1
238.13440	4.8
249.12762	2.4
250.09859	3.2
251.10680	100.0
252.11353	2.8
265.12302	4.7
265.14694	0.8
266.12988	75.1
266.19666	3.8
267.13736	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	266.1387
Annotation	Salinosporamide G
Peak:m/z	Relative Intensity
50.12488	0.4
53.03936	1.3
55.01859	0.4
55.05486	0.4
56.96555	1.7
60.04519	1.2
65.03954	0.5
67.05510	2.1
69.03403	0.5
69.07053	0.6
69.37180	0.9
69.37581	3.5
70.06590	1.2
72.77117	0.4
74.85939	0.4
75.79630	0.4
79.05499	1.0
80.05009	0.5
80.41833	0.4
81.03420	3.2
81.07024	0.6
83.01315	0.4
83.08605	0.5
84.04519	1.1
84.08148	2.1
86.09692	1.9
89.52399	0.5
91.05471	0.9
93.07063	0.6
94.06571	7.1
95.04961	1.5
95.08584	0.5
98.21534	0.9
98.97573	2.0
105.03412	2.3
105.07026	0.6
106.03729	3.1
106.06572	1.5
108.04494	0.5
109.02885	5.3
110.06049	2.8
116.30752	0.4
116.98591	1.0
120.08058	0.5
121.02843	1.3
122.03197	1.3
122.06044	9.2
123.06815	13.1
124.07616	0.6
129.10245	1.5
134.06026	2.3
138.05510	36.7
140.07060	1.9
150.05515	32.0
151.06294	18.5
152.07091	3.1
158.99577	0.6
160.07632	1.1
164.07147	0.6
168.06569	100.0
169.07352	5.3
173.08409	1.1
173.12897	0.7
177.07800	0.9
178.06328	0.6
186.09164	0.5
190.08517	0.5
193.08522	0.5
197.08331	0.4
202.12331	1.7
212.10574	0.5
220.13361	5.5
230.11826	1.5
248.12839	8.6
252.56146	0.7
266.13895	47.1
267.10025	0.7
267.14163	0.5
269.37833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1017
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
53.03942	1.5
55.01868	1.5
55.05521	3.6
56.96558	3.5
57.03438	5.3
57.07058	1.4
65.03945	0.8
67.05514	5.0
69.03429	2.0
69.07056	2.6
71.13365	1.0
79.05515	4.6
81.02979	1.3
81.03423	17.9
81.07063	7.5
81.71519	0.8
83.04968	2.7
83.08620	4.3
85.02886	0.8
87.04459	2.2
91.05478	8.3
93.07037	3.8
93.98743	0.9
95.04975	4.3
95.08610	4.8
97.06519	2.5
97.10166	0.8
98.97586	1.2
105.03378	0.9
105.07026	4.2
107.04958	1.4
107.08598	3.0
109.06523	2.2
109.10167	2.6
111.08054	2.0
115.05425	0.9
117.07027	1.7
119.08606	4.2
121.06505	1.2
121.10158	3.1
123.08062	1.3
125.05936	0.7
126.55789	0.7
129.06999	2.5
129.77170	0.7
131.08583	2.2
133.06528	1.6
133.10117	2.6
135.08058	0.9
135.11699	1.4
141.07057	1.5
142.15259	0.7
144.05714	1.0
145.06517	1.5
147.08054	1.5
147.11685	3.3
151.07520	1.0
152.06415	0.8
152.31061	0.8
153.06990	1.3
157.10109	2.4
161.06053	1.0
162.01329	1.3
165.06989	2.3
167.08586	1.1
169.06454	1.1
169.10101	1.4
175.11163	1.7
176.06139	0.9
178.07774	4.6
179.08578	3.0
181.06432	3.8
181.10153	1.2
182.07225	1.6
189.07056	2.0
190.07788	1.4
191.07007	1.3
191.08578	2.1
193.08543	1.4
193.10149	4.3
193.12251	2.7
195.08119	2.4
196.08853	1.4
197.05981	1.6
197.09650	2.7
202.07774	4.8
203.08575	6.7
205.03482	1.0
205.06485	21.2
205.08388	1.4
206.07274	80.5
207.08083	4.4
207.09880	0.9
208.08781	0.9
209.09650	1.7
210.10437	2.2
211.11160	2.2
211.14944	1.2
212.08376	1.1
218.07240	1.0
219.08096	5.3
220.08815	2.4
221.09628	100.0
222.10069	1.8
223.04224	2.0
223.07654	1.8
224.16408	2.7
225.09142	5.4
231.08058	2.9
234.06767	12.8
234.10272	1.8
235.07512	2.5
237.08974	1.5
238.09889	1.9
239.07083	1.0
239.10632	3.0
239.14403	1.9
244.05034	2.1
245.04720	2.2
249.09131	31.2
249.12808	1.9
249.14951	1.6
250.09546	1.3
252.11433	3.3
267.06506	1.5
267.10019	12.0
267.13696	11.9
267.16095	6.7
267.20847	5.3
270.15482	0.8
285.10120	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	267.1017
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
53.34592	0.5
53.96128	0.5
54.89763	0.5
55.01862	1.0
55.05509	1.4
56.96571	0.5
57.03423	1.6
67.05487	0.9
71.12009	0.9
79.05495	1.3
81.03420	7.4
81.07056	0.7
83.04952	0.9
83.08603	1.0
91.05458	1.6
93.07023	1.4
95.04975	1.4
95.08616	0.8
103.67931	0.5
105.07019	1.7
110.78877	0.5
114.05796	0.6
116.75591	0.6
117.81469	0.6
124.36447	0.5
124.49761	0.5
129.06982	0.7
131.08582	0.6
136.45163	0.6
140.46840	0.5
141.07063	0.5
145.09998	0.8
152.06232	0.8
157.10100	0.7
159.08151	0.6
165.07014	2.2
166.66679	0.6
167.08582	1.0
169.10213	0.6
171.07999	0.7
177.06911	0.6
178.07787	4.0
179.08545	3.2
181.06496	1.3
182.07225	1.0
183.08049	1.7
189.07047	1.5
191.08569	2.5
193.10152	4.0
193.12184	1.1
195.08066	4.5
195.11780	0.8
196.08792	1.2
197.09673	4.6
202.07834	3.8
202.09543	0.5
203.08566	6.4
204.09315	1.0
205.06491	15.0
205.09726	0.6
206.07275	68.7
207.08043	3.0
208.08804	1.2
209.09634	3.1
210.10397	2.2
211.07564	2.7
211.11143	1.9
212.08344	1.8
218.07335	0.8
219.08054	5.4
220.08855	2.3
221.09624	100.0
222.09964	2.0
223.07605	0.7
223.11111	2.6
224.08289	1.0
224.11938	0.7
225.09134	2.9
231.08057	2.1
233.09685	1.6
234.06796	8.7
234.10365	5.7
235.07495	1.8
237.03026	0.6
237.09122	4.6
238.09866	3.5
239.10709	2.6
239.14287	4.6
249.09123	49.9
249.12761	5.4
250.09650	1.0
252.11459	6.3
267.10162	7.4
267.13785	16.5
267.16049	2.6
268.10889	0.6
285.10074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1019
Annotation	CHEMBL2147420
Peak:m/z	Relative Intensity
53.03945	0.7
55.01870	0.5
55.05505	0.9
56.96564	0.8
57.03443	2.2
58.13327	0.3
67.05518	2.1
68.02434	0.2
69.03437	0.4
69.07068	1.0
71.05010	0.3
71.06816	0.4
71.07157	0.5
79.05501	2.6
79.41640	0.3
80.47377	0.2
81.03425	10.9
81.06717	0.2
81.07066	2.4
83.04975	0.9
83.08631	1.7
85.06561	0.3
91.05491	4.4
93.07030	1.4
95.04977	2.6
95.08614	1.2
96.95859	0.2
97.06508	0.4
97.10159	0.3
98.97612	0.4
103.05443	0.2
105.07041	2.5
107.04952	0.7
107.08614	0.7
109.06534	0.5
109.10165	0.5
111.04434	0.4
111.08064	0.6
115.05506	0.4
117.07080	0.3
119.08599	1.7
121.06551	0.4
121.10151	0.7
123.08044	0.3
129.07060	1.3
131.08569	1.1
133.06458	0.4
133.10132	0.9
141.07013	0.7
142.07710	0.6
143.08574	0.3
145.06506	0.7
147.08023	0.5
147.11708	1.2
149.09607	0.4
153.07021	0.5
155.08546	1.0
157.10158	1.6
165.07010	2.0
165.12770	0.4
166.07843	0.4
167.08588	1.1
169.10112	0.4
171.08011	0.4
175.11227	0.9
177.06976	0.4
178.07784	10.2
179.08524	0.7
180.09377	0.5
181.06493	3.0
181.10133	0.7
182.07285	1.0
183.08122	1.9
183.11693	1.3
189.06972	0.3
190.07790	0.8
191.08580	1.2
192.09329	0.3
193.10147	9.5
193.12259	2.2
194.07368	0.5
195.08067	2.3
195.11630	0.4
196.08861	10.2
203.08507	0.5
205.06511	0.4
205.10205	0.4
206.07356	1.2
207.08051	1.5
208.08862	3.4
209.09573	1.6
210.10274	0.5
211.11227	7.5
211.13219	0.4
221.09465	2.5
222.10365	0.6
223.11244	2.3
223.74974	0.3
224.08345	1.2
225.09001	0.4
234.06789	0.4
237.08931	0.3
238.10019	0.5
239.10782	1.4
249.09175	1.1
252.07834	1.0
252.11264	0.4
265.08649	1.0
267.10187	100.0
267.16003	5.0
268.10529	1.5
285.10233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72229	0.7
53.03928	1.4
55.01867	1.6
55.05508	6.2
56.96297	1.4
56.96569	27.8
57.03439	5.7
57.07062	1.4
58.06597	0.9
67.05516	9.9
69.03417	3.3
69.07055	3.3
70.06572	0.8
71.04967	1.8
71.55164	1.2
71.55526	1.0
71.95253	1.8
73.02879	1.0
79.05492	8.0
80.05029	1.1
81.03427	23.4
81.03905	1.2
81.07059	11.0
82.06572	3.0
83.04966	3.0
83.08624	4.6
85.02896	1.2
85.06561	1.0
87.04461	3.1
91.05483	11.9
93.07046	7.3
95.04957	5.1
95.08608	10.0
96.08145	1.1
97.02888	1.8
97.06514	3.0
97.10139	1.2
98.97557	2.3
100.11251	2.3
101.05988	1.0
105.03391	1.2
105.07026	8.1
107.04955	2.2
107.08607	4.5
108.08105	2.3
109.06514	1.4
109.10159	4.6
110.09721	1.1
111.04530	1.0
111.08080	1.8
115.00701	1.4
116.98621	1.1
117.06984	1.4
119.01718	1.0
119.04961	1.5
119.08610	5.9
120.08107	2.3
121.06483	2.1
121.10140	3.5
123.04427	1.1
123.08083	1.7
123.11728	2.0
127.00652	1.3
127.96464	0.8
128.06244	1.0
129.06984	3.3
131.08559	2.6
133.06473	1.6
133.10133	3.3
135.08057	1.0
135.11632	1.7
136.06189	2.0
137.02690	1.6
137.09644	1.0
137.13246	0.9
139.00677	2.6
141.02238	0.9
143.08557	1.7
144.05705	1.7
145.06473	1.8
145.10121	1.6
147.08051	2.9
147.11688	2.9
149.09644	1.3
153.02191	1.3
154.07739	1.3
155.03792	1.4
155.08548	1.5
157.01752	2.3
157.10109	3.6
159.11653	1.1
161.09583	1.0
163.03938	1.4
165.07042	1.4
165.12752	1.0
167.03793	1.9
167.08521	1.6
169.01714	1.8
169.06569	1.2
169.10133	1.3
171.03316	2.6
171.11650	1.8
173.01350	0.9
175.11208	3.5
177.05559	0.8
178.07794	1.4
179.08560	2.6
181.06516	1.6
183.08112	1.6
183.11748	1.7
185.04848	6.1
189.05664	1.4
190.00827	1.2
191.01653	1.5
191.08469	1.1
193.08386	4.0
193.10159	2.3
193.12177	4.8
195.08034	3.6
196.08864	1.0
197.09584	4.1
197.13336	2.0
203.05913	9.2
203.08693	1.2
203.18027	1.3
204.07950	1.1
205.03175	1.0
205.06540	2.1
206.07315	5.5
207.08090	2.5
208.08890	1.1
209.07841	18.7
209.09583	1.5
210.06812	1.1
210.10416	1.5
211.06250	1.3
211.11197	2.0
211.14880	1.5
213.12518	0.8
217.07462	1.1
219.08105	2.0
220.08752	1.7
221.09796	6.9
223.04427	4.0
223.07759	2.1
224.08308	3.2
224.16475	15.5
225.09187	6.7
229.07507	3.1
231.06837	2.8
234.06601	1.9
234.10400	2.8
235.07556	1.7
235.09540	1.0
237.08026	1.3
237.09021	1.2
238.09946	5.0
239.10751	4.9
239.14313	2.2
241.07541	1.9
241.11154	1.0
244.05084	1.9
245.04663	2.5
249.08208	5.2
249.11026	3.6
249.12859	2.8
250.09418	2.8
250.14529	1.4
250.18158	2.1
252.07849	2.2
252.11349	1.5
267.09128	57.0
267.12039	100.0
267.20789	15.5
268.12338	1.4
285.10114	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1381
Annotation	Magnolol
Peak:m/z	Relative Intensity
62.31570	0.3
69.03436	0.9
70.07270	0.3
70.71269	0.7
70.71604	0.3
79.05495	0.8
81.03417	0.4
81.07066	1.0
91.05497	0.9
105.07058	0.4
109.06519	0.4
110.25842	0.3
117.07008	0.3
119.08618	0.4
121.06515	2.3
129.07060	0.6
131.08566	0.6
141.06964	0.5
145.06503	1.2
147.08076	3.0
153.07013	0.7
155.08553	0.5
158.07324	0.4
159.08078	0.9
165.07005	1.8
166.07707	0.8
167.08562	1.3
169.10190	0.4
171.08105	1.8
178.07811	1.0
179.08554	2.3
180.09354	0.9
181.06493	1.4
181.10132	1.3
181.32652	0.4
182.07307	0.8
183.08075	1.5
185.09569	0.6
189.06993	0.5
190.07753	0.6
191.08585	4.5
192.09337	1.4
193.10133	2.0
194.07318	1.2
195.08063	8.9
195.11676	0.8
196.08836	2.3
197.09683	3.0
202.07878	1.0
204.09303	0.3
205.06448	1.1
205.10155	1.5
206.07326	0.9
206.10924	5.3
207.08122	0.6
207.11609	0.9
208.08810	3.7
209.09624	13.3
210.10388	5.3
211.07491	0.6
211.11159	3.0
211.14793	0.7
212.08379	0.4
215.08595	1.3
216.09351	3.2
217.10167	1.5
218.07306	1.0
219.08063	11.0
219.11436	0.4
220.08774	1.4
221.09712	2.2
221.13213	4.1
222.06712	0.6
222.10374	1.1
223.07576	3.3
223.11154	3.6
224.08469	3.6
224.11960	10.5
225.09148	3.9
225.12752	1.3
231.11693	2.1
232.08868	0.7
233.09648	4.2
234.10405	15.8
235.07576	0.5
235.11130	3.0
236.08327	1.4
237.09111	31.1
238.09889	20.2
239.10672	9.6
239.14313	11.7
244.41472	0.4
247.11153	0.6
248.11584	0.4
249.12764	14.5
250.09918	1.2
250.13425	1.0
251.10649	4.6
252.11444	56.0
253.11848	0.8
265.12314	2.7
266.12674	0.4
267.13803	100.0
268.14014	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	267.1383
Annotation	Juncutol
Peak:m/z	Relative Intensity
53.03960	3.4
55.01869	2.3
55.05517	7.5
56.11855	0.6
56.96561	2.1
57.03190	0.7
57.03445	12.3
58.06600	1.9
65.03930	0.7
67.05510	10.5
69.03436	3.3
69.07082	4.3
69.70413	2.7
71.04981	1.9
72.93780	0.7
79.05505	10.5
80.05039	3.6
81.03425	62.9
81.07064	11.7
82.06585	9.8
83.04986	6.0
83.08627	10.3
83.90755	0.6
85.02914	1.2
85.29768	0.6
91.05490	20.0
93.07055	7.6
94.06584	2.2
95.04975	14.6
95.07354	1.0
95.08608	7.4
96.08146	2.0
97.02888	2.1
97.06548	3.1
97.08910	0.9
97.10158	1.5
98.20833	1.2
99.08128	0.8
105.03394	1.0
105.07042	9.3
106.06525	0.6
107.04958	3.2
107.08611	3.9
108.08118	7.4
109.06526	2.9
109.10165	2.8
109.68989	0.6
111.04464	1.8
111.08091	3.8
115.05463	2.2
117.07025	2.3
119.08598	8.5
120.08111	6.2
121.06525	2.0
121.10137	3.5
122.09605	0.7
123.08048	1.7
123.11710	1.5
123.89378	0.7
128.06157	0.6
129.07001	6.2
131.04930	1.2
131.08571	5.2
133.06509	1.9
133.10147	3.0
137.05986	0.9
137.09648	0.9
141.07051	0.7
142.07829	2.2
143.08569	0.9
144.05653	0.8
145.06522	2.1
145.10126	1.6
147.04456	0.7
147.08060	2.3
147.11716	4.8
149.09634	3.2
153.07056	1.2
155.08580	1.6
157.10139	6.4
161.05965	0.7
161.09572	0.7
162.01358	1.2
165.07025	2.1
165.12740	1.1
167.08603	1.2
169.10117	1.0
171.08116	0.7
175.11185	6.8
177.03659	1.0
177.05406	0.7
178.07808	2.2
179.08542	2.1
180.09293	1.0
181.06528	2.9
181.10100	0.9
182.02083	1.5
182.07274	1.4
183.06627	1.3
183.08020	1.3
183.11774	0.8
189.05487	1.9
190.00885	0.9
190.07777	1.8
191.01709	1.3
191.07083	1.5
191.08620	1.6
192.09090	1.7
192.13832	1.5
193.08598	0.7
193.10190	2.1
193.12267	10.0
195.08041	3.0
195.11688	1.5
196.08881	2.5
197.04439	5.7
197.05942	0.9
197.09612	3.4
200.03246	0.9
202.07822	0.7
202.23491	0.7
204.07768	1.1
205.06523	1.7
205.10136	2.5
205.12067	0.6
206.07335	4.6
206.10927	0.9
206.15468	1.8
207.08093	3.5
208.08850	5.8
209.07816	1.8
209.09663	3.3
210.06810	0.8
210.10457	0.9
211.07700	0.7
211.11183	3.1
211.13187	1.3
219.08052	4.0
220.08717	2.1
221.09702	6.2
221.13249	1.1
222.06834	1.4
223.04240	3.9
223.07610	5.8
223.11172	5.6
224.08340	7.0
224.16475	49.6
225.09082	6.8
225.12675	1.0
225.16676	0.8
232.16994	2.9
234.06709	1.9
234.10376	1.8
235.07510	0.9
235.11157	2.6
236.08223	1.2
237.09131	34.1
238.09903	47.9
239.10675	10.8
239.14340	1.8
244.05136	1.1
245.04642	0.8
249.09171	7.4
249.12717	2.6
249.14986	1.5
249.19638	2.3
250.09500	3.8
250.13675	0.7
250.18042	5.1
251.10725	2.7
252.11481	100.0
253.11714	1.1
259.09738	0.7
260.09540	0.7
267.06580	1.4
267.10101	15.8
267.13770	59.6
267.16098	17.0
267.20633	30.5
268.10550	0.9
285.10126	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	267.1381
Annotation	Juncutol
Peak:m/z	Relative Intensity
53.03932	1.1
55.01862	1.3
55.05496	2.6
56.96549	3.0
57.03444	3.8
67.05512	4.3
69.03413	1.5
69.07036	1.7
69.88580	0.7
70.66397	1.6
71.04997	0.7
73.13409	0.8
79.05496	5.1
81.03425	18.1
81.07066	5.6
83.04984	1.2
83.08605	2.3
85.06529	0.9
91.05498	6.2
92.98177	0.7
93.07028	2.1
95.04478	0.6
95.04978	5.6
95.08593	3.3
97.02914	0.9
97.06518	2.2
105.07043	4.7
107.04963	0.9
107.08575	2.3
109.06511	1.1
109.10139	2.3
111.08074	1.7
119.08585	3.7
121.06488	2.3
121.10169	0.7
123.08047	0.9
123.11682	0.7
129.06996	2.2
131.08537	2.1
133.06493	1.0
133.10107	1.6
143.08495	1.4
145.06496	1.7
147.08125	4.3
147.11652	2.0
149.09541	0.7
151.07434	1.0
157.10072	3.1
159.08047	1.0
165.06927	2.0
165.09129	0.8
165.12715	0.8
166.09979	1.0
167.08591	1.4
169.10129	1.0
171.07993	1.7
175.11220	2.2
175.81174	0.8
178.07806	1.7
179.08542	2.8
181.06491	1.6
181.10120	2.3
182.07263	1.0
183.08043	1.5
183.11743	1.2
189.07071	1.1
190.07733	1.8
191.08669	3.5
191.10147	0.9
192.09334	1.2
193.10373	3.5
193.12169	4.2
194.07333	1.5
195.08063	7.3
195.11691	1.8
196.08858	3.0
197.09607	3.0
202.07845	0.9
205.06529	1.1
205.10088	2.0
206.07210	1.2
206.10910	5.4
207.08128	0.8
207.11685	0.9
208.08852	2.4
209.09642	11.1
209.11630	1.4
210.10452	5.6
211.07581	1.3
211.11218	3.9
216.09282	3.4
217.10068	1.8
218.07307	0.9
219.08073	10.8
220.08774	1.4
221.09563	3.3
221.13260	3.7
222.06827	0.8
223.07602	4.0
223.11165	5.0
224.08493	4.1
224.11974	8.3
225.09119	4.0
225.12762	0.9
231.11674	2.6
233.09665	4.5
234.10420	17.0
235.11209	3.6
236.08321	1.4
237.09125	30.0
238.09892	22.2
238.12009	0.5
239.10683	11.2
239.14319	10.8
244.05049	1.0
247.10925	0.8
249.09087	1.6
249.12799	17.3
250.09752	1.3
250.13336	0.7
251.10664	4.3
252.11469	55.4
265.12241	2.7
267.09729	4.5
267.13760	100.0
267.16000	6.2
267.21024	2.1
268.14127	1.5
285.10175	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	267.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.4
55.01869	2.3
55.05517	7.5
56.11855	0.6
56.96561	2.1
57.03190	0.7
57.03445	12.3
58.06600	1.9
65.03930	0.7
67.05510	10.5
69.03436	3.3
69.07082	4.3
69.70413	2.7
71.04981	1.9
72.93780	0.7
79.05505	10.5
80.05039	3.6
81.03425	62.9
81.07064	11.7
82.06585	9.8
83.04986	6.0
83.08627	10.3
83.90755	0.6
85.02914	1.2
85.29768	0.6
91.05490	20.0
93.07055	7.6
94.06584	2.2
95.04975	14.6
95.07354	1.0
95.08608	7.4
96.08146	2.0
97.02888	2.1
97.06548	3.1
97.08910	0.9
97.10158	1.5
98.20833	1.2
99.08128	0.8
105.03394	1.0
105.07042	9.3
106.06525	0.6
107.04958	3.2
107.08611	3.9
108.08118	7.4
109.06526	2.9
109.10165	2.8
109.68989	0.6
111.04464	1.8
111.08091	3.8
115.05463	2.2
117.07025	2.3
119.08598	8.5
120.08111	6.2
121.06525	2.0
121.10137	3.5
122.09605	0.7
123.08048	1.7
123.11710	1.5
123.89378	0.7
128.06157	0.6
129.07001	6.2
131.04930	1.2
131.08571	5.2
133.06509	1.9
133.10147	3.0
137.05986	0.9
137.09648	0.9
141.07051	0.7
142.07829	2.2
143.08569	0.9
144.05653	0.8
145.06522	2.1
145.10126	1.6
147.04456	0.7
147.08060	2.3
147.11716	4.8
149.09634	3.2
153.07056	1.2
155.08580	1.6
157.10139	6.4
161.05965	0.7
161.09572	0.7
162.01358	1.2
165.07025	2.1
165.12740	1.1
167.08603	1.2
169.10117	1.0
171.08116	0.7
175.11185	6.8
177.03659	1.0
177.05406	0.7
178.07808	2.2
179.08542	2.1
180.09293	1.0
181.06528	2.9
181.10100	0.9
182.02083	1.5
182.07274	1.4
183.06627	1.3
183.08020	1.3
183.11774	0.8
189.05487	1.9
190.00885	0.9
190.07777	1.8
191.01709	1.3
191.07083	1.5
191.08620	1.6
192.09090	1.7
192.13832	1.5
193.08598	0.7
193.10190	2.1
193.12267	10.0
195.08041	3.0
195.11688	1.5
196.08881	2.5
197.04439	5.7
197.05942	0.9
197.09612	3.4
200.03246	0.9
202.07822	0.7
202.23491	0.7
204.07768	1.1
205.06523	1.7
205.10136	2.5
205.12067	0.6
206.07335	4.6
206.10927	0.9
206.15468	1.8
207.08093	3.5
208.08850	5.8
209.07816	1.8
209.09663	3.3
210.06810	0.8
210.10457	0.9
211.07700	0.7
211.11183	3.1
211.13187	1.3
219.08052	4.0
220.08717	2.1
221.09702	6.2
221.13249	1.1
222.06834	1.4
223.04240	3.9
223.07610	5.8
223.11172	5.6
224.08340	7.0
224.16475	49.6
225.09082	6.8
225.12675	1.0
225.16676	0.8
232.16994	2.9
234.06709	1.9
234.10376	1.8
235.07510	0.9
235.11157	2.6
236.08223	1.2
237.09131	34.1
238.09903	47.9
239.10675	10.8
239.14340	1.8
244.05136	1.1
245.04642	0.8
249.09171	7.4
249.12717	2.6
249.14986	1.5
249.19638	2.3
250.09500	3.8
250.13675	0.7
250.18042	5.1
251.10725	2.7
252.11481	100.0
253.11714	1.1
259.09738	0.7
260.09540	0.7
267.06580	1.4
267.10101	15.8
267.13770	59.6
267.16098	17.0
267.20633	30.5
268.10550	0.9
285.10126	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	267.1381
Annotation	Juncutol
Peak:m/z	Relative Intensity
52.15129	1.5
53.03944	3.3
53.15662	1.4
55.01871	2.1
55.05519	7.4
55.87625	1.4
56.96569	6.7
57.03440	14.9
57.07051	1.6
67.05511	13.7
69.03437	4.0
69.07073	3.9
70.76318	1.4
71.04990	3.4
71.54900	2.2
73.22998	1.3
79.05496	11.6
81.03423	67.4
81.07068	15.6
83.04979	7.4
83.08630	10.9
91.05486	21.7
92.02593	2.1
93.07043	7.3
95.04984	13.1
95.08632	4.0
99.08113	2.0
103.47143	1.4
105.07037	12.7
107.04967	22.5
107.08623	4.2
109.06538	4.5
109.10152	1.7
111.08114	3.7
111.17585	1.5
115.05464	1.9
117.07094	2.3
119.04982	2.5
119.08592	11.0
121.06491	4.0
121.10155	5.9
121.90695	1.4
123.08105	1.9
129.07024	5.2
131.08548	5.1
133.10138	4.4
137.09570	2.2
142.07825	2.7
145.06563	2.7
147.08064	6.1
147.11690	9.4
151.11176	2.1
155.01636	2.5
157.10135	6.3
159.08098	1.9
160.00824	2.5
160.50954	1.8
163.11203	1.5
164.02147	3.7
165.06976	2.1
165.12762	3.7
167.08566	2.2
169.01392	5.0
175.11214	5.0
178.07784	2.6
179.08603	2.9
181.06496	2.3
181.10162	2.2
182.07243	1.6
189.00252	1.5
191.08601	2.8
193.10246	2.9
193.12282	13.2
194.07228	1.7
195.08087	7.1
195.11873	1.4
196.08887	2.7
197.09622	3.0
205.10141	2.4
206.07312	1.6
206.10869	3.5
209.09596	10.5
210.10370	5.3
211.11269	3.2
213.03957	2.7
215.08452	2.1
215.46289	1.7
216.09341	4.0
217.10127	1.8
219.08090	12.6
220.08693	1.9
221.09613	5.9
221.13310	4.1
222.04568	4.6
222.06583	1.7
222.10605	1.5
222.54581	1.7
223.07561	2.2
223.11275	4.3
223.15004	1.7
224.08260	4.7
224.12001	10.2
225.09135	3.9
226.11256	1.9
231.11861	2.0
232.08763	1.7
233.09610	4.1
234.10434	15.2
235.07602	2.0
235.11098	2.4
237.09113	27.7
238.09888	20.8
239.10756	10.9
239.14310	12.1
244.05890	3.4
244.09502	1.8
249.09068	5.4
249.12773	17.3
249.14928	2.0
250.09930	2.3
250.13586	1.7
251.10683	3.9
252.08835	3.5
252.11462	57.4
265.12341	3.2
267.09946	11.3
267.13794	100.0
267.16092	18.2
285.10202	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03931	3.3
55.01877	2.2
55.05519	9.4
57.03449	16.6
57.07066	6.5
67.05518	18.4
69.03411	3.6
69.07056	5.3
69.31905	7.5
69.32326	8.0
70.69738	1.7
71.01390	1.8
71.08624	6.8
79.05483	10.1
81.03427	100.0
81.07066	16.4
83.04964	5.1
83.08639	15.7
85.10193	2.6
91.05494	46.1
91.06065	2.4
93.07023	8.9
95.04985	19.8
95.08598	11.0
97.02888	3.4
97.06483	2.2
97.10209	2.9
98.98438	2.3
105.07041	14.7
107.04961	4.2
107.08608	4.9
109.06511	2.9
109.10148	4.0
111.04409	2.5
111.08089	5.4
114.67852	1.8
118.71516	2.0
119.08570	12.4
121.06564	2.6
121.10163	5.7
121.75560	2.0
123.08116	2.4
125.09647	2.7
127.11463	1.8
129.06985	6.6
131.08578	8.5
133.06534	3.1
133.10164	3.3
147.08090	2.4
147.11679	7.4
149.09586	4.0
157.10139	8.7
165.12796	3.4
173.64774	1.8
175.11203	8.3
193.12262	21.2
211.05124	1.8
211.13316	2.1
217.79137	1.7
226.64674	1.8
249.18785	2.1
267.10147	8.1
267.13809	2.0
267.15961	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03952	4.1
55.01874	2.8
55.05516	7.2
56.96559	2.2
57.03444	19.7
67.05169	0.9
67.05512	10.2
69.03429	1.8
69.07061	1.9
70.79025	1.3
71.04997	1.7
79.05499	11.3
79.86366	0.6
81.03426	100.0
81.07065	10.9
83.04985	4.2
83.08632	12.5
91.05492	18.7
93.07051	7.7
95.04981	19.9
95.08628	3.9
97.02895	2.0
97.06516	1.1
97.10221	1.2
103.05511	0.8
105.07051	13.5
107.04967	4.3
107.08612	3.2
109.06525	3.6
109.10148	1.4
111.04468	1.4
111.08091	5.6
115.05494	1.4
117.03410	0.6
117.07026	1.0
119.04990	0.9
119.08587	10.9
121.06516	2.6
121.10162	2.9
123.08073	1.1
128.06206	0.6
129.07019	8.2
131.08578	6.7
133.06512	2.2
133.10126	4.0
137.09579	1.0
142.07774	1.7
145.10101	1.2
145.31059	0.7
147.04404	1.3
147.08073	2.5
147.11702	6.3
149.09641	3.2
157.10149	8.1
163.11154	1.3
165.12804	1.5
175.11214	9.0
178.07733	0.6
193.12259	16.7
203.06099	0.6
211.11548	0.6
211.13269	3.0
231.13847	0.8
239.02225	0.9
241.77699	0.6
249.14798	1.1
267.09338	6.7
267.15924	41.4
285.10056	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	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03947	4.0
55.01876	2.1
55.05517	6.6
57.03444	21.5
67.05516	12.6
69.03442	2.5
69.07066	2.3
71.05007	1.4
71.30362	1.2
73.33987	0.8
79.05505	13.0
79.21559	0.9
81.03427	100.0
81.06587	0.9
81.07061	12.3
82.86403	0.6
83.04989	5.2
83.08629	15.3
85.10736	0.6
89.56625	0.6
91.05489	18.3
93.07053	7.3
95.04980	24.2
95.08611	3.0
97.02893	2.4
97.06546	1.7
97.10171	1.7
105.07041	12.8
107.04980	4.8
107.08611	4.0
109.06548	3.5
109.10176	1.4
111.08106	5.6
115.05495	1.4
117.07047	1.0
119.08598	11.3
119.50404	0.7
121.06528	1.9
121.10190	5.5
123.08086	1.3
129.07027	8.4
131.08574	8.5
133.06514	2.8
133.10129	4.3
135.11726	0.7
137.09674	1.2
142.07747	2.1
145.10173	1.2
147.08083	2.8
147.11703	7.2
149.09665	4.5
155.23328	0.7
157.10144	10.2
163.11165	1.3
165.12807	1.4
172.67024	0.7
175.11165	9.4
193.12242	17.6
193.13867	1.3
211.13332	2.3
215.91754	0.7
231.80099	0.7
249.14838	1.1
267.15945	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.10689	1.0
51.66574	1.0
53.03942	5.4
53.61446	1.0
55.01870	2.1
55.05522	6.9
57.03191	1.7
57.03445	19.4
57.07062	5.3
67.05509	13.5
69.03431	2.8
69.07069	4.9
69.34979	7.5
69.35385	2.8
71.04991	2.1
71.08622	1.2
79.05499	12.1
81.03424	100.0
81.07063	17.6
83.04967	5.3
83.08625	16.9
83.59642	1.2
85.10202	1.7
91.04971	2.2
91.05486	28.3
93.06527	1.2
93.07041	6.1
95.04976	20.5
95.08617	8.1
97.02889	2.1
97.06578	1.5
97.10167	3.3
105.07024	12.1
107.04957	4.5
107.08592	2.7
108.20436	1.1
109.06522	3.8
109.10156	3.6
111.04408	1.7
111.08076	4.7
117.06988	1.5
119.04929	1.4
119.08601	13.1
121.06478	1.7
121.10155	4.2
122.25775	1.1
123.08075	2.0
125.74625	1.2
127.94151	1.3
129.07043	6.4
131.08578	5.8
133.06490	4.0
133.10141	4.6
136.42023	1.2
142.07764	2.7
147.08080	1.9
147.11696	5.7
149.09660	2.6
157.10135	8.7
158.55525	1.1
165.12764	1.8
175.11208	9.4
193.12271	15.5
211.13390	2.8
214.54617	1.2
223.13373	1.5
249.14838	1.7
267.10226	3.4
267.15933	39.6
277.13412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01883	0.6
55.05516	5.7
55.98848	0.4
56.05033	0.6
56.96549	0.6
57.03439	2.3
57.07078	0.6
58.06607	4.3
59.57323	0.3
67.05515	2.8
68.05034	0.6
69.03415	0.5
69.07086	2.4
69.77172	2.5
70.06592	0.6
70.72888	0.4
71.80015	0.4
79.05501	3.9
80.05019	7.6
81.02978	0.7
81.03428	8.9
81.07077	5.7
82.06589	21.3
83.04986	0.9
83.08630	2.7
83.09035	0.5
84.08141	0.6
91.05482	4.5
93.07044	2.5
94.06586	4.7
95.04977	2.6
95.07376	2.0
95.08613	2.9
96.08128	3.8
97.06502	0.4
97.08895	1.3
97.10169	1.0
98.09702	0.6
98.20607	0.4
105.07057	3.0
106.06575	0.9
107.04935	0.6
107.07344	0.7
107.08612	1.4
108.08134	15.9
108.08870	0.9
109.06535	1.1
109.08942	0.5
109.10152	0.5
110.09679	1.8
111.07325	0.4
111.08034	0.9
119.08603	2.4
120.08119	11.3
121.10148	1.1
122.09702	2.2
123.08073	0.6
123.10445	0.7
129.07043	0.7
131.08556	1.1
133.10126	1.3
134.09674	0.9
147.11688	1.2
149.09589	0.5
153.64420	0.5
157.10191	1.2
165.07002	1.1
167.08629	0.6
174.12889	0.5
175.11215	1.3
178.07784	0.6
179.08646	0.9
181.06534	0.5
190.07887	0.6
191.06895	0.5
192.13818	1.1
193.10126	0.5
193.12225	1.5
195.08063	0.9
195.11848	0.9
197.04651	0.5
197.09628	1.1
204.13899	0.6
205.06496	0.5
205.10161	1.2
206.07240	1.2
206.15433	2.6
207.08138	1.1
208.08929	2.5
209.07893	0.9
210.14912	1.6
211.11182	0.5
221.09650	2.7
223.07603	0.9
223.11241	3.6
224.08350	1.6
224.16481	100.0
225.09109	1.2
225.16859	1.5
232.17021	7.1
234.06841	0.9
235.07541	0.5
237.05789	0.5
237.09169	3.5
238.09882	4.6
239.10710	2.3
249.09177	2.7
249.12766	0.6
249.19662	4.5
250.09523	1.0
250.18059	12.3
252.07794	0.8
252.08588	0.7
252.11482	9.1
253.08258	0.5
267.09793	6.0
267.14127	6.9
267.16077	2.7
267.20706	67.2
268.10995	0.9
268.21127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
54.12626	0.2
69.56743	0.9
69.57159	0.4
71.05002	1.3
78.03458	3.2
80.05021	2.3
84.08152	0.3
85.02913	0.3
96.04487	1.6
98.21478	0.4
99.04459	2.6
99.30424	0.2
106.02918	16.5
112.94437	0.2
117.05466	0.3
120.25512	0.2
124.03955	100.0
125.04279	0.4
136.06175	2.8
145.04970	0.9
158.99710	0.2
235.10655	0.2
240.14378	0.2
250.07130	0.4
253.11995	0.2
268.08151	11.9
268.14133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82158	0.5
55.01855	0.6
55.05502	1.5
56.96570	17.7
67.05506	5.7
67.09113	0.4
68.05831	1.3
68.76112	0.4
69.03416	0.8
69.07069	1.0
69.76544	2.5
71.95273	1.3
76.60026	0.4
79.05489	1.0
81.03407	1.4
81.07069	4.4
82.07377	2.2
83.04982	1.0
83.08595	1.1
84.96039	0.9
87.04466	1.5
91.05489	1.5
92.05821	0.6
93.07013	1.3
93.29173	0.5
94.07402	0.7
95.04987	0.7
95.08616	3.6
96.08958	2.7
97.02888	0.5
97.06515	0.7
98.06068	0.5
98.97585	1.0
105.00146	0.5
105.07014	1.1
106.07349	1.2
107.08620	0.9
108.08945	0.8
109.10139	1.9
110.10477	1.2
110.97544	0.9
115.03912	0.6
116.98617	0.9
119.08586	0.6
120.08926	0.9
121.10143	0.7
122.10512	0.7
123.11716	0.5
124.03932	1.3
124.12025	0.7
128.24518	0.5
133.10135	0.7
136.06187	7.5
137.02715	1.0
139.00714	0.9
141.02173	0.7
147.08054	0.6
147.11673	0.6
148.12048	0.5
151.00679	0.6
153.02237	7.1
155.03777	0.9
157.01685	0.7
165.02251	1.6
171.03308	26.5
171.53375	0.5
173.04866	1.0
175.02869	0.9
179.03815	1.2
181.05328	0.8
183.03302	8.1
183.06947	0.5
185.04800	0.6
189.04366	21.1
191.03848	1.0
191.08578	0.5
194.04962	0.6
197.04846	3.5
199.06438	1.5
201.04356	5.0
201.07977	1.1
204.18292	0.9
207.03371	1.2
207.05275	0.8
209.04875	12.0
212.05940	0.7
215.05890	3.3
219.05199	0.6
225.04370	1.3
227.05920	57.8
240.10991	0.5
245.06996	100.0
250.07481	2.5
263.08047	54.7
264.08450	0.8
268.08279	4.4
268.10892	1.0
268.13663	1.0
268.16577	0.7
268.19284	2.4
269.08173	0.7
277.09448	0.6
286.09732	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.70757	0.2
57.03431	0.5
57.69540	0.2
58.54553	0.2
63.81659	0.2
71.45612	0.4
79.49915	0.2
85.02934	0.3
103.89692	0.2
111.62799	0.3
118.56020	0.3
119.03572	1.7
133.04979	0.2
136.06195	100.0
137.04559	0.3
137.06664	0.3
197.46310	0.2
220.58232	0.2
268.10410	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01880	0.3
57.03436	0.6
57.93774	0.2
69.03433	0.3
69.82448	0.2
69.83172	0.7
71.01336	0.2
73.02927	0.3
85.02914	0.5
94.04068	0.4
97.02870	0.2
97.94696	0.2
98.21478	0.3
115.03929	0.2
119.03539	0.8
135.23593	0.2
136.06200	100.0
137.04616	0.2
137.06563	0.2
160.45844	0.2
178.09438	0.2
234.55936	0.2
268.10440	5.2
289.80341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1176
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
53.03961	0.8
55.01859	1.7
55.05515	2.6
56.96561	0.9
57.03429	1.8
57.07069	1.0
67.05513	4.9
69.03432	0.9
69.07076	3.4
71.04980	0.6
71.08617	0.7
71.55866	0.5
79.05505	4.5
81.03426	1.2
81.07072	5.7
83.04987	2.4
83.08625	2.2
85.06548	0.8
85.10137	0.5
87.04443	0.5
91.05499	2.9
93.07050	5.4
95.04964	1.1
95.08608	3.6
97.06548	1.3
97.10150	0.8
105.07052	1.4
107.04972	1.3
107.08598	2.7
109.10136	2.0
111.08067	1.1
115.05493	0.5
116.90788	0.5
117.07029	1.1
119.08566	1.6
121.10184	2.4
121.50468	0.4
123.11739	1.1
129.07039	0.9
131.08551	1.2
133.06523	2.7
133.10097	1.2
135.11699	1.4
141.06973	1.6
142.07707	0.6
143.08566	1.1
145.06528	1.4
145.10106	1.1
147.04379	0.7
149.13271	2.7
152.06209	0.7
153.07014	3.2
155.08603	1.0
157.06519	2.6
157.10185	1.4
159.08087	0.8
159.11716	1.8
161.05949	0.5
163.04034	0.5
165.07004	7.6
166.07800	6.5
167.08586	2.9
169.06480	1.7
170.07262	1.4
171.08005	2.9
171.11690	1.2
173.05972	0.6
175.07571	15.2
175.14804	0.5
177.07002	0.7
177.12718	0.5
178.07799	0.8
179.08624	3.2
180.09322	2.2
181.06526	4.9
181.10135	12.2
182.07253	1.4
183.08064	8.4
184.08832	1.6
185.06053	0.6
185.09668	1.9
187.07587	1.1
189.07024	1.6
190.07808	3.0
191.08533	3.5
193.06453	0.6
193.10172	0.7
193.53880	0.5
194.07272	5.9
195.08069	5.6
195.11739	3.3
197.05997	3.8
197.09612	3.2
198.06738	1.0
198.10411	4.5
199.07617	2.2
199.11223	3.5
205.06363	0.9
205.10141	4.7
205.19595	1.1
207.08064	6.0
208.08861	12.5
209.09644	23.6
210.06766	1.3
210.10274	1.3
211.07582	3.6
212.08344	5.3
213.09131	1.0
213.12851	0.7
214.09883	0.9
218.07266	5.0
219.07954	3.3
221.05978	1.8
221.09496	0.5
222.06699	0.7
223.11209	22.8
225.09120	8.5
225.12616	1.1
226.09904	10.8
227.10701	21.8
227.17694	0.7
233.09622	3.1
234.06926	1.1
235.07585	6.4
236.08350	22.4
237.09126	2.4
239.10667	0.6
241.08551	1.4
241.12302	5.2
241.21794	0.9
249.09026	1.0
251.10715	37.2
252.11383	1.5
254.09317	1.3
257.05612	0.8
257.55817	0.6
269.08536	3.5
269.11746	100.0
269.22653	2.9
270.12332	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	269.1174
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
50.15746	0.5
55.01876	0.7
55.05514	0.6
57.03437	0.8
57.91208	0.4
67.05520	1.4
69.03442	1.2
69.07086	0.6
69.66045	3.1
79.05508	1.4
81.03382	0.5
81.07076	2.1
83.08646	0.7
83.63474	0.5
86.91068	0.5
91.05479	1.2
93.07063	1.9
95.08616	0.6
95.83679	0.5
105.07054	0.8
107.08661	0.5
117.07059	0.7
119.08642	0.5
121.06522	1.5
121.10213	0.8
132.25024	0.5
133.10181	0.7
145.06548	1.0
145.10150	0.6
147.11801	0.6
149.13266	0.8
152.06267	0.6
153.07016	0.9
155.08577	0.9
158.07280	0.7
159.08081	1.2
161.18867	0.5
165.06999	9.5
166.07759	1.0
167.08659	2.4
171.08054	1.4
178.07771	0.7
179.08630	2.2
180.09370	7.4
181.06505	1.2
181.10078	1.5
182.07259	1.1
183.07961	2.4
185.09665	0.8
189.07150	0.6
190.07806	5.3
191.08600	0.7
193.06578	0.5
193.10039	0.5
194.07230	0.7
195.08063	3.4
195.11736	7.6
197.06052	0.8
197.09621	1.3
198.06815	0.6
198.10416	1.2
203.08669	0.7
205.10088	4.2
206.07329	0.8
207.08052	3.8
208.08838	27.8
209.09599	4.0
211.07553	15.0
211.09473	1.0
211.10899	0.6
212.08350	2.7
213.09213	3.0
213.12764	3.9
218.07307	5.3
219.08073	1.8
221.05960	5.8
221.09534	2.4
222.06610	0.6
222.10423	0.6
223.11188	38.9
224.08356	2.5
224.11621	1.0
225.09105	3.6
226.09894	36.5
227.10498	0.9
233.09579	3.4
235.07538	4.8
236.08324	19.8
239.10704	3.8
240.11411	1.1
241.12247	72.3
242.12691	1.3
250.09782	0.6
251.10681	100.0
252.11021	1.5
269.11722	35.0
269.22665	1.4
279.70950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1537
Annotation	Heudelotinone
Peak:m/z	Relative Intensity
53.94116	0.3
55.01789	0.7
55.05430	0.5
67.05415	0.5
69.03305	1.1
69.06982	0.5
69.74982	1.9
81.06925	2.8
81.07446	0.8
91.05357	1.1
93.06953	0.8
95.04880	0.7
95.08550	0.7
97.06415	0.4
98.97564	0.3
105.06900	1.2
107.08530	0.6
109.06384	1.8
115.05317	0.4
117.06957	0.7
119.08447	1.0
119.84811	0.3
121.06375	2.1
128.06113	0.5
129.06894	0.8
133.10027	1.0
135.07932	1.2
141.06891	0.7
142.07722	0.4
143.08492	0.5
145.06505	2.3
146.07213	0.7
147.08076	6.4
153.05580	0.3
153.06886	0.9
155.08514	0.5
157.06491	0.8
157.10112	0.5
158.07256	1.6
159.08063	3.1
161.09630	7.9
163.07545	3.5
165.06961	0.6
166.07675	0.6
167.08530	1.0
169.06451	0.9
169.10027	0.6
170.07205	1.6
171.06676	0.5
171.08060	8.3
172.08826	0.5
173.09663	1.7
178.07678	0.5
179.08551	2.0
181.06459	2.5
181.10075	1.2
182.07227	1.3
183.08020	1.0
184.08850	0.7
185.09627	5.3
186.10423	2.7
187.07451	0.4
187.11299	0.4
191.08401	0.4
192.09163	1.5
193.10097	0.6
195.08060	4.0
195.11691	0.7
196.08839	2.6
197.09634	11.9
198.06839	2.0
198.10371	1.2
199.05757	0.6
199.07559	9.6
199.09422	0.7
199.11212	2.1
205.10042	0.5
207.11699	1.4
208.08847	1.6
209.09636	2.9
210.10451	2.3
211.11177	4.3
212.11998	1.5
213.09131	32.6
213.12727	4.1
214.09904	100.0
215.10304	1.0
221.09708	1.8
222.10413	2.1
223.11229	2.6
225.12753	9.0
226.13568	1.0
227.10703	3.8
227.14230	2.5
233.13245	0.5
236.11981	2.7
240.11580	0.5
241.12283	0.6
241.13550	0.5
241.15904	4.6
251.14456	8.9
252.10956	0.6
269.04425	0.7
269.15527	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	269.1539
Annotation	Heudelotinone
Peak:m/z	Relative Intensity
50.23532	0.3
53.03947	0.3
55.01878	0.6
55.05518	0.7
67.05504	1.1
69.03447	2.5
69.07051	1.0
71.39896	0.6
75.35056	0.3
79.05495	1.3
81.07071	3.0
91.05492	2.2
93.07049	0.9
95.04980	0.8
95.08598	1.0
101.79141	0.3
105.07024	1.7
107.08600	1.0
109.06525	2.0
115.05482	0.3
117.07017	0.5
119.08561	1.0
121.06525	3.5
123.08142	0.3
128.06241	0.6
129.07011	0.6
131.08586	0.5
132.05710	0.3
133.10144	1.0
135.08037	0.7
141.07002	0.6
142.07782	0.4
143.08540	0.6
145.06502	2.7
145.10168	0.4
146.07321	0.8
147.08058	7.5
152.06223	0.6
153.06984	0.7
155.08586	0.4
157.06525	0.7
157.10106	0.5
158.07288	1.7
159.08058	3.5
159.11705	0.4
161.09642	8.1
163.07564	6.1
165.07018	1.1
167.08621	1.3
169.06528	0.9
169.10088	0.7
170.07312	1.3
171.08073	8.5
171.11693	0.3
172.08786	1.1
173.09613	1.6
178.07808	0.5
179.08559	1.2
181.06454	2.6
181.10121	1.1
182.07278	1.0
183.08064	1.1
184.08888	0.7
185.06071	0.3
185.09634	5.3
186.10384	3.0
187.07628	0.5
189.09174	0.6
191.08597	0.8
192.09308	0.9
193.10158	1.1
194.07304	1.0
195.08061	3.7
195.11757	0.7
196.08847	3.6
197.09636	9.7
197.13341	0.4
198.06778	1.9
198.10422	1.5
199.07552	10.8
199.11206	2.0
205.10120	0.5
207.08151	0.4
207.11862	1.5
207.13550	0.3
208.08888	1.5
209.09634	2.7
210.10442	3.0
211.11188	4.1
212.08354	0.4
212.11998	1.3
213.09132	34.7
213.12708	3.7
214.09904	100.0
215.10349	1.1
221.09630	2.3
222.10439	2.3
223.11238	2.4
225.12762	8.6
226.13562	0.6
227.10760	3.3
227.14285	2.5
236.11937	3.3
240.11380	0.7
241.12187	0.9
241.15906	5.6
251.11984	0.5
251.14392	9.6
269.04465	0.3
269.08072	0.9
269.15570	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	269.1539
Annotation	Heudelotinone
Peak:m/z	Relative Intensity
50.12111	0.9
55.01880	1.6
55.05508	3.4
57.03442	1.9
67.05510	6.3
69.07079	5.9
69.25198	0.9
69.28977	5.5
69.29395	3.6
79.05515	6.0
81.03452	1.1
81.07066	8.6
83.05029	1.3
83.08617	3.0
91.05489	5.6
93.07067	7.1
95.04972	1.3
95.08606	8.1
97.06497	1.3
98.20780	1.8
104.99298	3.0
105.07014	3.4
107.08607	5.0
109.06509	1.1
109.10155	1.7
117.07024	1.6
119.08635	4.7
121.06528	6.3
121.10162	2.9
123.11684	1.0
129.06987	1.0
131.08617	4.7
132.05679	1.0
133.10124	3.6
135.08037	2.4
135.11694	1.7
139.84422	1.0
141.06967	1.4
142.07776	1.6
143.08571	2.4
145.06511	1.8
145.10197	2.1
147.08064	22.6
149.13266	3.7
153.07028	1.6
156.09427	1.2
157.06549	1.3
157.10129	4.3
158.07286	1.6
159.08057	2.6
159.11693	2.3
161.09616	2.3
161.13342	1.2
167.08554	2.2
171.08096	10.1
171.11757	3.1
173.09633	1.8
173.13257	2.8
179.08553	1.0
181.10164	2.0
183.08101	1.5
184.08752	1.9
185.09709	6.2
185.13264	1.7
195.11723	1.8
196.08943	1.4
197.06090	1.3
197.09627	4.6
198.10449	6.9
199.11176	6.5
209.13292	1.8
211.11124	4.7
211.14836	1.4
212.11966	4.3
213.09337	1.6
213.12767	33.5
214.09894	2.2
218.07179	1.0
223.11227	1.4
225.12677	1.6
226.13562	10.7
241.15897	100.0
246.70950	0.9
251.10648	2.7
251.14458	1.1
251.17889	1.6
258.76633	1.1
269.08099	10.4
269.11618	3.9
269.15387	26.6
269.18973	9.8
270.59872	1.0
281.94894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1752
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.62384	1.5
53.03945	5.9
54.17201	1.5
55.01867	5.3
55.05521	21.7
56.96563	3.5
57.03197	2.3
57.03448	28.5
57.07065	5.4
65.03927	1.8
67.05515	71.2
69.03442	1.7
69.07073	29.5
69.23962	3.4
69.24369	14.6
71.04986	9.3
79.05061	3.0
79.05507	48.1
81.03436	4.1
81.07071	100.0
83.04981	11.8
83.08637	15.5
85.06550	6.6
91.05503	27.2
93.07058	65.4
95.04976	7.1
95.08622	25.0
97.06545	14.1
97.10168	2.1
98.19742	1.6
99.08109	5.3
104.99268	2.0
105.07057	8.6
107.08612	36.1
107.93875	1.6
109.06525	2.1
109.10188	5.9
111.08114	7.8
115.05469	1.9
115.95494	1.5
117.07023	7.0
117.50172	1.7
119.08591	5.2
121.10170	20.0
123.08092	2.0
123.11710	4.6
131.08601	12.5
133.10164	11.9
135.07944	1.6
135.11717	11.3
135.30023	1.5
139.11197	1.9
143.08549	2.5
145.06502	2.2
145.10199	1.7
149.13274	42.3
151.11200	2.0
155.08607	2.2
157.10124	2.3
159.11710	18.7
163.07582	2.6
177.12762	5.4
179.08502	2.7
185.06035	2.3
185.13268	2.2
195.08171	3.3
195.13846	11.6
198.10426	1.7
211.10851	2.4
211.14851	2.5
213.09192	1.9
223.11258	3.4
226.06378	1.9
227.10512	2.3
227.14252	1.8
241.12183	3.9
251.10735	6.0
253.05351	2.1
269.08115	21.1
269.11719	16.8
269.15289	2.5
269.17432	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.48776	0.5
50.57820	0.4
51.02392	0.7
53.03947	3.2
53.87668	0.5
55.01882	4.6
55.05518	21.2
56.96582	1.1
57.03444	39.5
57.07079	4.3
59.05006	0.6
62.42472	0.5
65.03951	2.4
66.92072	0.5
67.05511	82.1
69.03426	1.7
69.07076	34.6
71.01367	1.0
71.05003	6.7
71.08636	1.5
71.56140	0.9
73.02919	1.7
77.03960	0.6
79.05502	48.0
81.03436	2.6
81.07066	100.0
83.04543	0.9
83.04997	10.3
83.08632	20.6
85.02914	1.2
85.06557	5.8
87.02348	0.5
87.04485	0.6
91.05492	24.4
93.07055	74.6
95.04984	7.2
95.08617	26.9
97.06543	16.9
97.10175	3.2
98.97617	1.2
99.04478	1.1
99.08089	5.0
105.04547	1.3
105.07037	10.9
107.04963	0.6
107.08607	40.4
109.06533	3.2
109.10166	5.2
111.04543	0.6
111.08093	10.4
111.11720	2.0
113.06028	0.8
113.09682	2.1
115.05492	0.6
116.98621	0.6
117.07029	9.6
119.08586	3.2
121.06508	3.0
121.10156	27.3
123.08117	0.8
123.11730	3.1
125.09676	1.4
127.07544	0.6
129.07034	1.0
131.08577	11.5
131.09505	0.9
133.10150	8.1
135.08099	2.6
135.11716	13.4
139.07549	0.6
139.11195	2.5
143.08601	1.1
144.09444	0.8
145.06502	1.1
145.10196	1.3
147.08055	2.6
147.11732	2.3
149.09669	1.1
149.13275	49.2
150.13666	0.7
151.11255	1.4
157.10176	1.6
159.08032	1.0
159.11708	21.0
159.13034	1.0
161.09637	2.7
163.07561	0.8
165.07077	0.9
167.08559	0.9
167.14455	1.3
171.08095	3.5
171.11760	1.0
173.09592	0.6
173.13274	0.8
177.12776	10.0
179.08546	0.6
181.06534	1.5
182.07359	0.8
185.09608	2.5
185.13263	1.0
186.10460	1.0
187.14914	1.0
192.09410	0.7
193.10173	0.7
195.08127	1.9
195.13826	14.5
196.08865	1.3
197.09682	3.1
198.06853	0.7
199.07585	3.5
199.11313	0.9
205.19611	0.9
207.11723	0.8
208.08669	0.6
209.09729	1.4
210.10437	0.7
211.11223	1.6
212.11865	0.7
213.09134	12.3
213.12782	1.5
213.14601	0.7
213.16498	1.2
214.09911	36.5
215.10484	0.7
221.09679	1.1
222.10339	1.1
223.11156	1.1
223.30499	0.6
225.12776	3.5
226.06316	0.9
227.10683	1.4
227.14384	0.7
236.08078	1.6
239.10696	1.0
241.12265	0.7
241.15939	1.9
251.10265	1.1
251.14447	3.6
253.05022	0.6
269.05038	0.9
269.08154	4.9
269.11377	2.2
269.15335	4.2
269.17615	37.1
269.22729	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	269.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05680	1.0
53.03936	4.4
55.01871	2.6
55.05521	21.7
56.96558	1.5
57.03444	31.7
57.07065	3.7
60.31642	1.0
65.03926	2.3
67.05511	77.5
69.03415	1.3
69.06722	1.7
69.07076	25.5
69.78046	5.6
71.04994	6.7
71.08605	1.1
73.67899	0.9
79.05502	45.2
79.05966	2.3
81.03444	2.4
81.07064	100.0
83.04991	10.5
83.08636	19.0
85.02879	1.0
85.06535	4.7
91.05489	31.0
93.07057	68.2
95.04981	7.4
95.08614	26.3
95.09212	0.8
97.06541	16.4
97.10168	3.3
99.08080	3.8
105.04506	1.8
105.07041	11.9
107.08604	36.4
109.06504	4.1
109.10163	4.4
111.08088	7.8
113.09677	1.3
117.07026	12.3
119.08560	3.5
121.06481	3.0
121.10151	17.4
123.11728	4.8
129.07021	1.2
129.16559	0.9
131.08578	14.4
133.10135	16.0
135.08075	1.6
135.11717	14.1
145.06522	1.1
145.10164	1.2
147.11676	1.2
149.09618	1.7
149.13271	34.5
151.11192	1.6
157.10280	1.5
159.11707	21.8
177.12755	10.3
183.08119	1.3
195.13821	14.3
208.08707	1.6
213.09215	1.6
213.12677	1.4
213.14854	0.9
214.09938	1.2
251.10646	1.3
269.08258	8.7
269.11322	6.4
269.17496	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03930	2.8
55.01864	2.7
55.05515	21.7
56.96563	2.1
57.03444	25.3
57.07064	4.4
65.03925	2.7
67.05511	81.2
69.03428	1.3
69.07076	25.9
71.04990	7.0
71.55592	1.5
73.05923	0.9
77.03912	1.2
79.05499	43.9
81.03419	2.4
81.07065	100.0
83.04991	9.9
83.08624	18.5
85.06551	6.2
91.05490	28.3
93.07053	69.9
95.05006	7.2
95.08054	1.7
95.08617	24.9
97.05988	1.5
97.06540	16.6
97.10151	1.6
99.04454	1.0
99.08075	4.7
104.99252	2.4
105.04514	2.0
105.07044	11.8
107.08603	38.3
109.06490	3.3
109.10162	6.1
111.08084	10.0
111.11687	1.0
117.07034	13.2
119.08582	4.2
121.06467	1.7
121.10148	19.2
123.08108	1.4
123.11699	3.8
125.57742	1.2
129.07004	1.3
131.08589	11.6
133.10138	13.5
135.08076	2.2
135.11705	12.5
139.11188	1.3
147.11687	1.7
149.13274	41.2
151.11188	2.3
157.10107	1.8
159.11700	23.8
161.13185	2.6
163.07545	2.6
169.06581	1.0
171.11639	2.2
177.12729	12.4
179.14328	1.8
195.13824	16.3
213.09123	4.6
213.14925	1.2
214.09952	5.7
223.11092	1.5
226.06274	1.8
232.92702	1.2
236.12094	1.2
237.05534	1.3
241.12161	1.7
241.15968	1.2
251.14317	1.4
251.19839	1.1
253.04980	1.2
269.05054	1.7
269.08060	17.8
269.11597	4.4
269.17474	50.0
270.17819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.9
55.01874	2.5
55.05519	22.7
56.96576	16.5
57.03443	30.8
57.07076	8.4
60.05826	2.3
65.03938	2.9
67.05511	84.3
69.07079	29.9
71.04987	7.8
71.08619	2.4
71.55095	4.1
75.32227	3.0
79.05501	52.4
81.03409	4.3
81.07066	100.0
83.05012	11.6
83.08637	21.7
85.06549	6.4
85.53950	2.6
91.05495	29.0
93.07052	72.5
95.04974	7.7
95.08625	31.2
97.06533	17.0
98.97593	3.7
99.08071	3.9
104.99284	4.0
105.07041	14.0
107.08600	37.2
109.06551	4.4
109.10150	7.3
111.08076	9.6
117.07047	11.6
119.00181	7.5
119.08616	7.0
121.06556	3.8
121.10164	25.7
123.11738	5.6
131.08598	12.6
133.10152	13.9
135.11696	13.3
139.11197	3.3
140.45430	2.3
143.01868	2.6
143.08614	4.0
145.10184	3.6
147.11705	2.9
149.13278	44.4
151.11224	3.8
154.39816	2.4
159.11682	22.6
163.03922	9.0
165.40945	2.2
167.08635	2.6
171.08035	3.6
177.12781	8.6
185.28363	2.3
193.05023	4.3
195.12062	3.3
195.13814	16.1
207.06503	13.0
211.10767	2.7
211.14874	4.8
225.10150	2.8
240.95451	2.5
241.12311	4.0
251.10703	6.5
251.14420	2.8
253.04584	2.8
269.08115	27.8
269.11874	13.6
269.17435	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
53.28773	2.4
55.01878	4.3
55.05291	2.8
55.05514	26.9
56.96553	7.8
57.03440	31.9
57.07079	6.6
65.03922	3.4
67.05509	78.8
68.09972	2.9
69.03444	2.9
69.07076	35.2
71.04990	10.9
71.08633	3.0
71.54768	2.8
79.05066	4.3
79.05494	56.0
81.03429	5.6
81.07063	100.0
83.04967	9.4
83.08627	17.4
85.06543	3.9
91.05487	30.2
93.07050	72.3
95.04964	9.5
95.08607	31.6
97.06531	19.4
105.07005	14.9
107.08595	35.8
109.10178	5.9
111.08063	8.7
117.07013	11.8
117.48170	2.8
119.08561	7.8
121.06505	2.9
121.10148	27.2
123.11686	3.7
131.08554	15.3
133.10155	15.0
135.11694	8.1
143.08524	3.9
145.06505	2.8
145.10091	3.2
147.11693	3.6
149.13269	41.6
157.10135	5.9
159.11693	24.5
161.09523	3.3
163.07504	3.6
165.06978	4.5
169.10217	3.4
171.11662	3.2
177.12746	8.2
179.08441	2.7
180.08881	5.5
181.09995	2.6
183.11742	3.3
185.13329	3.8
195.07986	2.8
195.13789	10.9
199.11250	2.8
199.14699	3.0
201.81763	2.5
206.10574	4.1
206.72923	2.7
207.07918	4.1
208.08383	34.0
209.09677	3.5
211.14795	3.0
213.09114	13.0
214.09868	14.1
219.07654	6.1
222.09988	6.8
223.11034	5.0
225.12773	3.5
234.09991	8.8
235.07433	10.1
236.07901	73.8
237.08630	4.5
241.11983	4.2
250.09419	12.9
251.10550	12.9
252.10988	11.3
254.08908	24.0
254.11652	9.4
259.20248	3.1
268.10547	3.2
269.08084	29.7
269.11368	73.8
269.17285	40.4
269.22491	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01881	3.0
55.05265	4.3
55.05515	60.2
56.96569	5.6
57.03441	13.4
57.07077	34.6
60.03408	2.3
62.26980	2.4
65.03949	2.8
67.05508	66.5
69.03428	13.8
69.07072	100.0
71.04983	6.7
71.08632	16.7
71.55012	3.3
71.92381	2.2
79.05499	41.3
81.07059	83.3
83.04981	15.4
83.08624	61.7
85.06544	5.8
85.10173	6.5
87.04468	22.0
91.05474	13.9
93.07046	56.7
95.05011	3.7
95.08611	57.8
97.06546	20.7
97.10181	28.9
98.97592	5.5
99.08072	3.2
101.06038	13.9
105.07027	10.8
107.08590	42.7
109.10159	45.6
111.08071	8.2
111.11740	7.0
113.09665	5.7
115.03936	9.0
117.07040	6.7
119.04922	3.8
119.08591	5.6
121.10150	60.9
123.08109	2.7
123.11730	33.3
125.09621	6.7
125.13258	3.5
127.11192	3.7
131.08577	6.1
133.10132	4.4
135.08060	3.2
135.11710	46.2
137.13306	4.0
139.11166	9.1
143.08536	4.8
145.10172	3.7
147.11710	4.4
149.13268	29.0
151.14886	2.4
153.12729	7.9
157.10123	5.6
159.11717	8.8
161.59766	2.5
163.14821	6.1
165.07048	2.9
169.06590	2.6
173.13292	3.8
175.14888	3.0
177.05531	3.2
179.17953	7.8
197.19000	8.4
198.06313	2.9
205.19513	54.9
213.16522	3.9
223.07500	2.7
223.20575	20.2
227.06958	3.1
233.18987	5.5
234.98872	2.6
241.05650	3.5
241.08516	5.8
241.21634	26.2
245.51230	2.5
249.08722	3.3
257.74579	2.7
269.08246	14.5
269.11551	12.6
269.17493	4.3
269.21170	15.6
269.23138	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	269.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45789	2.3
53.03944	3.8
53.09349	1.9
55.01871	5.8
55.05264	4.0
55.05514	59.6
56.96570	3.8
57.03439	11.5
57.07081	32.9
59.04992	2.3
65.03951	2.4
67.05508	80.2
69.03442	13.8
69.07074	100.0
71.04981	7.9
71.08647	16.8
71.55298	3.1
77.03899	1.9
79.05501	48.1
80.69039	2.0
81.03409	6.0
81.07065	91.0
83.04992	17.0
83.08624	55.5
85.06556	7.6
85.10189	8.8
87.04471	22.2
91.05489	13.3
93.07053	60.4
95.05011	4.7
95.08617	68.4
97.06541	22.4
97.10178	27.1
98.97611	4.5
99.08082	4.8
101.06053	12.4
105.07057	9.9
105.85634	2.1
107.08610	44.4
109.10164	44.1
111.08083	8.7
111.11711	10.5
113.09613	2.4
115.03940	9.4
115.07559	5.0
117.07081	3.1
119.08597	7.7
121.09311	4.6
121.10151	61.2
123.11700	24.0
124.90407	2.4
125.09621	4.8
125.13279	3.5
127.11245	5.3
129.05544	4.7
129.06975	3.2
131.08565	7.5
133.10136	6.2
135.08064	2.6
135.11702	46.3
137.13254	6.4
139.11195	7.5
141.12730	3.0
143.08586	3.4
145.10179	3.9
147.11681	3.4
149.13266	31.7
151.14665	2.6
152.06236	2.3
153.12755	4.5
159.11699	6.6
163.14816	8.0
167.14296	2.9
171.11664	2.7
173.06136	2.5
175.14809	4.5
177.12709	3.9
179.18005	6.2
185.13274	3.3
197.19022	6.9
199.14908	3.7
205.19528	45.8
213.16417	4.6
215.18207	3.0
223.11227	2.8
223.20558	17.3
227.07074	4.2
241.08737	3.3
241.12273	3.2
241.21637	32.7
268.38275	2.8
269.08179	17.3
269.11728	12.2
269.17957	4.4
269.21130	15.3
269.22769	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	270.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51999	26.9
70.74639	35.5
70.74982	61.0
89.28307	27.5
101.00862	40.5
113.88331	30.4
119.01915	61.1
129.65469	28.1
136.06197	90.8
138.05502	100.0
143.01825	36.3
157.03412	39.8
215.00348	36.8
225.81482	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	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03936	0.1
53.19070	0.0
54.00708	0.0
55.01869	0.1
55.05511	0.1
55.75178	0.1
56.96555	0.1
65.03943	0.2
67.01526	0.1
67.01868	1.6
67.05509	0.1
68.99787	1.2
69.03429	0.2
69.07059	0.1
69.88831	0.1
69.89226	0.2
73.02895	0.1
79.05497	0.1
81.03416	0.2
81.07058	0.1
84.81400	0.1
85.02895	0.1
91.05487	1.9
93.07064	0.1
97.02891	0.2
98.97563	0.1
99.04458	0.2
105.07026	0.1
107.08595	0.1
109.02898	0.3
111.00805	0.3
119.04951	5.5
119.08600	0.1
120.08094	0.1
121.02878	1.9
125.02363	0.2
127.03890	0.4
128.06250	0.1
129.01852	0.3
131.04942	0.2
135.08098	0.1
137.05971	0.1
141.07021	0.3
145.02847	1.5
145.06512	0.1
145.10046	0.1
147.04405	0.1
147.08087	0.1
149.02388	0.2
153.01836	11.5
154.02153	0.1
155.04919	0.1
157.06534	0.1
159.04414	0.1
159.08041	0.1
163.03911	1.0
165.07027	0.1
169.06485	0.3
171.02881	0.9
173.05986	0.1
185.05922	0.1
187.03961	0.4
197.06035	0.4
200.04688	0.1
201.05547	0.1
202.06224	0.1
203.07071	0.2
211.04036	0.1
211.07565	0.1
213.05365	0.1
215.07013	0.4
217.04971	0.1
225.05492	0.7
228.04230	0.2
229.04982	0.5
238.09428	0.1
243.06532	1.0
247.06021	0.3
253.04913	0.3
253.08934	0.1
253.11703	0.1
256.03610	0.2
256.06357	0.1
271.06021	100.0
272.06329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05503	0.4
56.96558	0.4
65.03915	0.2
67.01865	1.3
67.05513	0.3
68.99783	1.0
69.03444	1.3
70.66392	0.3
70.66752	0.4
71.04979	0.3
73.02901	0.6
81.03428	1.2
81.07055	0.4
81.79755	0.2
83.01376	0.2
85.02882	0.7
91.05473	1.9
91.81915	0.2
95.04971	0.3
95.08586	0.2
95.85256	0.2
97.02868	0.8
99.04462	1.8
105.07029	0.3
108.70830	0.2
109.02886	2.1
109.10181	0.2
119.04954	4.3
121.02855	1.4
121.10093	0.2
125.02363	0.2
127.03908	2.5
128.32367	0.2
129.01820	0.3
131.04961	0.3
131.08560	0.2
133.10127	0.2
137.05945	0.2
141.06978	0.3
144.05685	0.3
145.02817	1.7
149.02357	0.2
153.01831	9.9
163.03906	0.7
165.06987	0.4
169.06528	0.2
171.02867	0.7
171.04390	0.3
172.05185	0.4
174.03139	0.4
183.07990	0.2
185.05832	0.2
187.03986	0.4
197.05983	0.5
200.04662	1.5
203.06963	0.3
211.07474	0.4
214.09534	0.2
215.07007	0.4
216.10524	0.4
216.80847	0.2
217.05017	1.2
225.05428	0.6
228.04146	2.4
229.05089	0.4
243.06462	1.4
247.06068	0.3
253.04926	0.2
256.03671	4.7
271.06012	100.0
272.06314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0604
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05513	0.1
65.03942	0.1
67.01527	0.1
67.01872	1.9
67.05513	0.1
68.99793	1.0
70.33568	0.1
70.45785	0.2
70.46172	0.2
77.59005	0.1
81.03422	0.1
81.07068	0.2
84.92738	0.1
91.05492	1.7
95.08616	0.1
111.00813	0.4
111.16164	0.1
115.05456	0.1
119.04961	5.4
120.05365	0.1
121.02890	1.7
125.02347	0.1
129.01830	0.3
131.04924	0.1
141.07010	0.1
145.02861	1.5
153.01848	11.5
155.05000	0.1
156.67113	0.1
163.03946	1.0
163.95030	0.1
169.06511	0.3
171.02898	0.6
173.05959	0.1
187.03912	0.4
197.06004	0.3
201.05595	0.1
203.07053	0.3
225.05464	0.7
229.04961	0.6
243.06526	0.7
247.06137	0.2
253.04927	0.2
271.06033	100.0
272.06415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1445
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
50.32421	0.7
54.49295	0.7
55.05502	1.0
56.05026	0.9
56.96552	0.9
64.87511	0.8
67.05505	2.4
67.70280	0.7
69.07070	0.9
70.59344	1.6
70.59711	1.4
73.71808	0.7
79.05489	3.4
81.05806	1.5
81.07057	2.2
83.08633	1.0
84.76692	0.8
91.05470	3.0
93.05778	1.2
93.07057	2.3
94.06564	2.2
95.08614	1.8
96.08152	4.5
97.06510	0.7
105.07047	2.1
106.06561	3.3
107.08612	1.9
108.08134	15.6
117.07045	0.8
119.08659	0.9
122.09691	3.2
122.66769	0.7
128.06232	0.9
129.00188	0.7
129.07051	1.4
132.08112	1.2
133.10159	1.8
134.05977	1.8
136.07574	1.7
137.06012	1.1
142.07825	1.2
143.08543	0.8
144.08099	2.0
145.06471	0.9
150.18042	0.7
153.01904	1.3
154.06529	1.1
155.08525	1.2
156.08173	1.1
157.10121	1.6
158.09677	1.7
159.08051	2.0
159.11629	1.0
165.06998	1.3
166.07811	1.6
168.08075	4.5
169.08849	5.6
170.09653	2.3
170.97629	1.0
171.09248	1.5
172.07571	2.5
174.09212	1.7
181.10164	1.4
182.09644	3.1
183.08044	1.3
183.10426	6.1
185.10789	2.7
186.09181	1.5
186.11557	2.0
196.07623	7.6
197.08377	11.5
198.09105	2.2
198.12778	8.8
199.08682	11.9
199.12334	1.6
200.09235	0.9
200.13077	2.1
208.11270	1.4
210.09186	2.6
210.11348	1.1
211.07867	1.6
211.09935	23.3
211.73018	0.7
212.09453	1.8
213.10262	19.6
213.13667	0.9
214.10988	7.3
215.07271	0.8
215.15506	6.3
225.11707	0.9
225.13855	2.3
226.12291	49.4
227.08264	1.5
227.11789	21.6
228.12590	34.3
229.13078	0.7
239.11882	2.2
241.09850	3.6
242.10381	2.3
242.14108	1.0
243.14967	31.0
253.13412	7.6
253.15793	1.3
254.11781	3.2
254.24765	0.9
255.11324	18.0
256.09418	1.2
256.12091	22.7
271.06128	12.6
271.14444	100.0
271.24164	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1908
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03947	4.3
55.01864	3.9
55.05515	43.5
56.96569	6.5
57.03442	31.1
57.07071	3.0
60.72180	0.8
65.03935	2.0
67.05511	61.5
69.03448	5.9
69.07074	35.0
70.70541	1.7
70.70879	1.8
71.04997	13.4
73.02926	1.7
73.06573	1.8
79.05498	25.2
81.03455	4.3
81.07064	98.7
82.07386	1.0
83.04979	6.1
83.08624	23.2
84.04485	3.8
84.08070	0.9
85.02903	1.9
85.06549	10.3
91.05488	24.1
93.07053	23.7
95.04967	3.0
95.08614	100.0
97.02890	1.3
97.06538	18.9
97.10178	5.6
98.20837	1.2
98.97566	1.9
99.04451	5.3
99.08117	6.1
105.04467	1.1
105.07041	18.6
107.08615	10.1
109.02885	5.6
109.06509	4.0
109.10162	15.0
111.08072	4.5
113.05967	1.2
113.09619	1.7
117.07035	2.5
119.08594	24.3
121.06505	2.6
121.10126	5.9
123.08080	4.9
123.11707	1.2
124.99155	1.0
125.09650	1.4
127.03942	7.4
127.07559	1.7
128.06180	1.5
130.05005	1.6
131.08531	0.9
133.10132	14.8
135.11725	9.3
137.06020	1.8
137.09648	4.7
137.13203	7.2
143.00183	3.2
144.79230	0.8
145.10141	1.5
147.08038	3.3
147.11647	0.9
149.13303	1.4
151.14763	1.3
159.08008	1.6
159.11697	2.1
161.01213	1.1
161.09674	1.4
161.13255	28.1
163.11110	1.1
165.07014	2.7
169.10049	1.1
171.08165	1.9
173.09729	1.1
179.14340	14.1
183.08156	2.5
187.11177	0.9
197.09740	1.9
199.06430	1.8
211.11220	2.6
213.12682	1.6
215.10822	1.3
225.12755	1.3
229.07426	5.0
243.17313	1.1
247.08592	3.2
249.02814	1.4
253.15741	1.4
253.18030	2.8
271.06049	18.1
271.09634	6.0
271.19113	59.7
271.24167	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01864	2.6
55.05274	2.3
55.05519	37.9
56.96574	10.9
57.03445	27.4
57.07058	2.1
61.55134	1.1
65.03940	3.4
66.76456	1.3
66.91374	1.2
67.05513	58.9
69.03419	2.2
69.06730	2.0
69.07076	31.6
71.05003	13.0
71.13351	2.3
71.13680	2.1
71.27169	1.1
79.05069	1.5
79.05501	25.8
81.03398	2.6
81.07066	90.0
83.04985	6.1
83.08633	20.2
84.22640	1.3
84.96027	1.5
85.02903	1.8
85.06557	10.0
91.04976	1.9
91.05491	26.2
93.06490	1.4
93.07054	24.6
95.04955	3.7
95.08618	100.0
97.02911	1.2
97.06540	18.8
97.10157	5.0
98.97556	4.0
99.08068	4.0
105.07040	17.2
107.08093	1.0
107.08613	10.5
109.02882	2.3
109.06504	5.3
109.10166	13.1
111.08071	4.9
113.09679	1.6
115.05469	1.4
116.98665	1.4
117.02707	1.3
117.07031	1.9
119.08601	25.6
121.06494	2.0
121.10154	9.6
123.04427	1.2
123.08043	5.0
123.11671	2.5
124.99105	4.2
127.03911	2.8
131.08572	2.9
133.10146	16.3
135.11674	10.1
137.05980	3.0
137.09601	4.3
137.13213	4.9
138.00058	1.4
141.06995	1.8
143.00185	7.8
145.10123	2.3
147.08049	1.8
147.11716	1.6
149.13222	1.6
152.96548	1.6
153.01875	1.7
153.06981	1.5
157.10080	1.4
159.08028	2.4
159.11693	2.7
161.01247	7.3
161.13286	29.3
165.07001	2.8
170.99631	1.5
171.08006	2.9
173.05991	2.0
173.13240	1.3
175.14848	1.6
179.08569	1.2
179.14355	14.9
181.04929	1.3
181.06432	2.0
183.07991	2.4
183.11754	2.3
185.01274	1.3
187.11041	1.6
187.14760	1.3
189.00807	1.6
197.06000	1.7
197.09676	1.8
197.15314	2.8
201.09030	1.4
201.16270	1.8
203.02249	1.5
211.07452	3.5
213.16457	1.6
215.07037	1.5
229.08803	1.4
229.28442	1.2
238.09367	1.3
243.06331	1.6
249.02840	5.0
253.11884	4.7
253.15764	1.3
267.03918	7.8
269.10696	1.4
271.05978	21.2
271.09601	11.8
271.13168	5.1
271.19006	52.7
271.24182	4.0
285.04926	1.8
294.21771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
56.05014	1.9
56.96562	7.6
65.27588	1.8
69.72076	8.0
69.72485	4.8
70.06592	9.0
78.71789	2.1
81.03436	2.3
83.01102	7.6
84.01884	2.5
84.04473	2.7
84.08150	4.5
84.96036	2.6
85.02910	3.8
85.08566	2.2
95.01116	13.5
96.01871	7.0
98.20775	4.3
98.97578	9.1
99.04519	2.3
102.87863	2.2
111.00552	2.7
112.01328	3.9
113.02146	19.3
116.98606	3.3
124.99060	2.1
134.99655	2.8
143.00189	4.2
157.04752	4.7
158.99612	3.4
161.01234	4.2
167.03261	5.2
185.04222	19.8
201.03740	29.8
202.04691	2.3
249.02905	2.9
254.25000	2.4
261.21378	2.3
272.06369	3.7
272.11087	100.0
272.23230	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	272.1131
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
54.03385	0.3
55.01878	0.6
56.96574	3.6
57.03441	2.2
61.02946	1.8
63.94960	0.3
65.03951	5.7
67.05507	0.5
69.03445	3.7
70.06591	1.3
71.04958	0.3
71.16206	0.6
72.08153	0.8
73.02926	1.7
75.56436	0.3
80.05026	0.9
81.03424	0.9
84.08144	0.5
84.96046	1.2
85.02429	0.6
85.02917	9.3
86.77302	0.3
87.04471	0.7
91.03938	0.3
92.05016	67.2
93.05334	0.4
93.05805	6.6
94.06578	10.3
97.02902	2.9
98.97598	2.9
99.04472	0.4
101.00872	0.6
109.02884	1.2
110.06055	100.0
110.97585	0.6
111.06402	0.8
112.99161	0.4
115.00713	0.6
116.98647	0.7
119.01875	0.9
124.99123	2.0
127.03928	2.6
127.75606	0.3
128.98587	0.4
138.05521	0.6
140.02310	0.4
140.98509	0.4
143.00182	2.4
143.01903	0.8
145.04897	0.7
146.02330	0.4
152.07060	3.6
153.05754	0.6
155.01881	0.5
158.99707	1.4
159.18919	0.3
161.01244	1.9
161.02757	0.6
168.98004	0.3
170.03360	0.4
170.99614	0.6
171.93040	0.3
173.03116	0.3
173.96249	0.3
177.00810	0.4
178.04976	0.8
182.03310	1.5
189.00743	0.4
191.03923	4.0
196.63998	0.3
200.04462	0.5
201.00751	0.8
203.03999	0.5
205.00233	0.8
212.09229	0.6
219.01787	1.0
223.01332	0.8
236.09116	0.5
241.06854	0.3
248.99147	0.6
254.10246	3.3
261.02673	0.4
272.11334	26.3
279.03836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
56.05042	4.0
56.96562	2.0
57.07094	3.1
59.05001	1.6
60.04527	6.5
65.03943	0.8
67.05508	14.0
69.03458	0.7
69.07069	2.5
70.00009	1.1
70.00420	1.9
70.05582	0.5
70.06594	1.9
71.04980	1.8
75.96871	0.6
79.05497	0.7
81.07069	1.3
82.06549	0.6
84.04512	66.3
84.08149	100.0
85.02925	2.1
85.06554	2.5
85.79070	0.5
86.09711	1.5
88.04002	3.0
91.05463	0.9
95.04974	21.3
97.06530	0.5
98.97589	2.1
99.08099	2.3
101.09658	2.6
102.05572	1.8
105.54126	0.5
107.08592	1.0
108.08129	1.4
110.97577	0.7
112.07614	5.0
116.10754	1.1
120.80682	0.5
122.09687	0.9
123.97002	0.5
127.07567	31.0
129.44299	0.5
130.05016	10.3
130.08652	10.9
131.08600	0.6
144.10208	61.8
150.09117	3.6
178.72116	0.6
181.06575	1.3
182.11723	2.7
195.11292	0.6
196.09650	2.9
210.11310	4.7
256.11841	8.4
273.04852	1.2
273.07718	1.2
273.11871	1.0
273.14548	6.0
273.18869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1852
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03950	1.1
55.05511	5.1
55.88972	0.8
56.96549	1.7
57.03429	1.9
57.07064	2.7
59.04999	1.1
61.13258	0.9
65.55476	0.9
67.05512	7.9
69.03432	3.4
69.07071	4.9
71.04999	5.5
71.06148	1.9
78.53437	1.0
79.05505	7.0
80.57835	0.9
81.07056	8.5
83.04972	4.6
83.08620	3.0
85.06519	3.6
91.05478	9.7
93.05074	1.1
93.07059	11.4
95.04977	23.8
95.08611	7.5
97.06527	3.2
98.97577	1.7
99.08113	2.2
103.05465	1.2
105.07040	20.1
107.08605	13.9
109.06528	25.5
109.10166	10.5
111.08073	4.4
115.05467	1.6
116.06190	0.9
117.07022	7.9
119.04961	0.8
119.08591	29.5
121.06504	2.3
121.10175	7.3
123.08079	16.2
123.11716	2.4
125.09605	1.1
128.06230	1.9
129.07024	7.0
130.07782	3.0
131.08583	15.0
133.06544	1.2
133.10147	11.1
134.84250	1.0
135.08072	7.3
135.11725	1.7
137.08638	1.3
137.09607	9.0
141.06984	2.5
142.07771	8.1
143.08568	16.2
144.09332	2.4
145.06462	1.6
145.10130	44.7
145.46371	0.9
147.08029	5.5
147.11702	15.0
149.09651	3.7
151.07529	1.9
151.11194	3.3
153.06969	1.6
154.07767	1.2
155.08543	4.5
156.09360	11.2
157.10143	27.7
158.10924	5.1
159.08044	4.1
159.11707	13.4
161.09637	6.1
161.13239	4.3
163.11212	3.9
165.06924	1.3
167.08591	3.3
168.09386	1.4
169.10194	5.6
170.10953	2.8
171.11713	21.3
172.12498	4.1
173.09676	9.3
173.13283	29.7
174.10425	2.4
175.11179	11.2
175.14793	0.9
177.12781	1.6
179.10689	2.4
181.10190	3.0
182.10921	5.1
183.11700	3.4
184.08791	1.2
185.09662	1.3
185.13258	10.0
186.10393	1.2
187.11205	17.8
187.14804	7.3
188.11888	1.5
189.05392	1.0
189.12750	18.7
193.10037	0.9
195.11790	4.7
196.12480	1.9
197.09810	1.3
197.13272	14.4
198.14055	2.2
199.11185	11.6
200.11954	2.0
201.12791	2.7
203.14346	5.4
203.18045	1.2
205.12212	1.2
207.11633	2.8
211.14856	4.5
212.15616	3.4
213.12816	4.5
213.16397	13.2
214.13513	2.9
215.14333	41.3
217.12257	9.6
222.14177	1.3
225.12825	2.7
227.14407	1.2
227.17952	1.9
229.15921	3.9
230.16626	1.3
231.13933	1.2
231.17459	18.8
237.16434	3.9
240.15222	1.5
243.13860	2.6
245.18964	1.7
255.17455	31.3
273.18512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03947	2.5
53.30861	2.1
55.05511	19.6
57.07083	10.1
66.79765	1.6
67.05505	33.3
69.07070	45.6
69.28345	6.2
69.28774	10.8
79.05494	17.7
81.07059	82.9
83.08619	17.7
91.05487	14.1
93.07051	45.3
95.08611	84.3
97.10167	10.4
98.21581	2.4
105.07028	33.3
107.08598	60.4
109.10165	60.1
111.11736	3.5
119.08586	28.4
121.10152	54.7
121.11025	2.8
123.11706	47.2
131.08591	4.3
133.10129	17.6
135.11687	38.3
137.13258	12.6
145.10150	3.4
147.11699	23.7
149.13264	50.2
151.14865	9.3
161.13255	32.8
163.14822	30.7
165.16429	3.8
175.14879	12.1
177.16391	18.3
179.59128	1.6
189.16370	24.7
191.17992	10.9
203.17966	18.7
214.54530	1.6
217.19505	32.0
231.21022	5.5
273.25778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49038	5.4
53.75885	4.5
56.96566	42.3
58.23363	4.2
58.75809	4.3
69.03423	11.1
70.32247	7.0
70.32574	10.5
70.98125	38.0
73.02919	10.7
82.06573	10.4
82.99879	7.8
84.04493	11.2
84.08141	10.0
84.38504	4.8
85.02901	15.2
88.99174	9.0
97.00750	4.5
97.02918	10.3
97.44165	5.6
98.97569	30.0
101.00892	64.7
110.97572	7.0
113.00887	13.8
116.98610	7.7
117.03999	6.8
119.01920	95.0
127.02434	11.5
128.07063	8.5
128.98607	10.4
131.01920	28.2
137.03015	11.8
138.80849	4.6
139.97075	5.1
141.70055	5.3
143.01901	25.1
145.01675	9.1
145.03481	55.7
146.99617	12.6
154.96478	6.6
155.01877	33.8
156.98129	11.5
157.03439	8.2
159.05023	30.7
161.02969	20.6
167.02028	8.8
169.03465	28.2
170.74669	4.8
172.97623	27.6
173.02950	36.1
174.99167	33.7
177.16725	4.8
180.18132	5.3
185.02994	21.9
186.03426	4.9
187.04520	31.1
189.02490	11.9
190.98669	28.4
193.00244	18.4
197.02992	6.7
203.03975	24.9
205.05585	5.6
207.03494	6.4
213.02521	19.8
215.04152	11.2
215.25824	5.2
221.05011	6.4
229.05594	9.7
231.03485	13.9
232.99680	19.5
245.04973	7.6
247.06670	5.7
274.97659	6.7
275.01965	14.0
275.06375	34.0
275.11008	100.0
293.03448	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	275.0377
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
54.94662	3.1
55.05497	4.2
55.93506	3.5
56.05026	3.9
56.96577	21.6
58.06593	3.5
66.07319	2.6
67.05508	6.0
69.03431	6.9
69.07074	5.3
70.06584	11.1
71.54284	3.0
72.08153	10.1
74.02455	4.1
76.59698	3.0
79.05516	4.3
81.07099	4.8
82.06577	7.2
83.04978	2.7
84.04517	15.5
84.08151	30.2
85.02927	16.9
86.09720	19.9
87.10036	7.9
91.05498	4.6
95.04957	3.7
95.06098	5.9
97.02896	9.3
98.97597	31.8
100.07646	5.9
110.97573	2.8
111.04457	3.9
116.07122	6.1
116.98638	12.7
119.01962	17.3
128.07101	6.0
128.98631	4.0
129.10251	5.1
130.05025	6.4
137.03036	5.4
140.00264	7.3
144.10205	5.1
145.03493	4.1
146.08144	9.5
158.01270	7.1
158.13727	4.5
158.15402	3.4
158.99706	10.9
159.05055	5.7
161.12871	5.4
162.13177	3.6
177.00745	8.7
185.02893	4.1
215.01645	6.5
219.01903	3.1
222.22073	4.3
226.07585	4.9
243.01701	4.0
245.04735	2.9
257.02701	70.8
261.02875	3.5
274.27368	9.4
275.03723	52.7
275.11069	100.0
275.21585	2.8
297.66956	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	275.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
57.71763	0.8
58.99872	1.3
63.74683	0.7
65.03947	1.4
67.05486	3.4
68.98287	0.8
69.03426	1.6
70.67641	2.0
74.24263	0.8
82.99835	8.5
83.04984	1.2
84.08116	1.2
85.01378	1.5
86.99355	0.7
93.03410	2.5
95.04982	4.6
97.02892	1.7
98.97578	1.2
101.00888	53.4
102.62458	0.8
103.02450	1.1
103.20229	0.8
109.01394	3.3
111.04442	2.6
113.00882	1.1
115.02397	1.4
117.04000	2.0
119.01931	78.3
120.02022	1.2
121.02902	6.7
125.04459	1.0
127.02431	25.0
129.04012	1.4
131.01923	1.2
133.03481	2.1
137.02965	10.6
139.02414	1.7
139.03920	1.2
141.03954	1.8
142.03496	1.0
143.01903	6.7
143.05537	2.4
143.58501	0.9
145.03473	55.8
147.01404	2.1
151.02417	3.4
153.03958	2.8
155.01862	1.7
157.03487	12.2
159.05051	10.3
161.02974	7.5
163.04510	3.1
167.01883	3.7
169.03476	73.5
170.03558	1.3
171.01428	3.0
171.05058	12.4
173.03024	1.5
175.04431	1.7
177.06133	2.6
179.01883	2.5
185.02977	28.6
185.06555	2.6
187.04539	78.4
189.02492	6.0
193.03526	2.0
195.05075	7.2
197.02971	16.2
203.02174	1.5
203.04001	6.5
205.05553	8.6
207.03453	1.8
210.06126	1.2
211.04610	4.6
213.02466	4.5
213.06113	4.4
214.96596	0.9
215.04018	16.1
221.03000	5.3
229.05603	48.7
231.03506	5.0
239.04089	3.7
247.06638	24.0
249.04686	1.5
257.05084	5.1
270.08157	1.1
275.06134	100.0
276.06302	1.9
293.07153	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	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.6
59.47567	1.0
70.06599	1.1
70.12542	4.3
72.08131	1.6
74.02448	1.0
80.00883	0.9
82.06586	1.3
84.04503	2.6
84.08110	1.8
85.02921	1.4
86.09698	1.2
98.97568	2.9
101.00823	1.7
119.01895	1.2
145.03398	1.0
146.08125	1.7
167.48326	1.0
168.39252	0.9
219.01912	1.1
257.02658	10.4
266.59088	1.0
275.03775	5.7
275.11017	100.0
276.11285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	3.8
55.01878	10.3
55.05516	16.8
57.03435	4.6
57.07057	5.8
59.25801	1.5
65.83361	1.5
67.05509	29.0
69.03415	1.9
69.07067	13.0
71.04994	3.4
71.55512	2.3
77.03885	1.6
79.05506	28.8
81.07066	39.9
83.04975	3.8
83.08636	7.7
85.04642	1.5
85.06533	2.4
91.05491	52.2
93.07052	25.5
95.04979	4.0
95.08607	19.9
97.06542	10.1
97.10159	3.0
101.31377	1.7
103.05476	2.1
105.07044	83.4
107.04958	9.4
107.08584	16.5
109.06525	5.1
109.10200	8.7
111.00302	2.3
111.08117	1.5
113.41187	1.4
115.05508	1.7
117.07027	12.7
119.07788	3.3
119.08591	39.9
121.06498	3.5
121.10144	9.8
123.08078	1.7
123.11707	1.6
125.09631	3.2
129.07036	3.3
130.07735	1.9
131.08580	19.1
133.06468	1.7
133.10144	44.8
135.08055	4.9
135.11726	4.9
137.09676	2.2
143.08556	3.2
145.10114	13.5
147.11713	19.8
149.09627	10.6
156.97461	3.4
157.10188	3.6
159.11681	10.4
161.09624	2.9
161.13300	4.4
161.36525	1.8
163.11174	3.1
170.20563	1.5
171.11711	2.4
173.13268	5.0
174.98615	2.2
176.65463	1.9
177.12819	2.3
183.11699	3.5
185.13266	2.2
191.14351	2.2
201.12683	2.4
201.16289	2.1
203.14378	3.2
213.00087	5.0
215.17867	1.6
219.17410	12.8
229.19508	3.2
239.17883	3.8
245.08212	1.4
247.20694	2.3
257.19083	9.7
275.11234	3.4
275.20093	100.0
275.27762	13.4
276.20480	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	275.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01864	1.9
55.05268	1.3
55.05515	17.1
57.03436	1.0
65.03938	1.9
67.05505	16.8
69.07066	9.4
70.04857	3.7
71.04986	2.5
79.05498	18.0
81.07057	19.1
83.04978	1.5
83.08604	4.1
85.06538	1.7
88.07643	1.4
91.05486	47.2
93.06480	1.1
93.07048	17.3
95.04984	2.2
95.08610	14.3
97.06563	1.3
97.10149	2.2
103.05488	1.4
105.07033	69.9
107.04934	1.7
107.08599	12.0
109.06481	1.5
109.10168	4.7
115.05449	1.4
117.07009	10.9
119.08582	35.5
121.06508	2.9
121.10146	5.5
123.08082	1.6
123.11696	1.7
129.07004	3.3
131.08563	15.0
133.10135	49.2
135.08101	1.0
135.11725	4.3
137.09503	1.1
141.07042	1.0
143.08572	3.5
145.10123	17.9
147.11690	24.8
149.09637	6.9
155.08559	1.6
157.10117	2.9
159.08119	1.0
159.11699	7.4
161.09575	1.6
161.13295	5.7
163.11157	2.7
169.10092	2.0
171.11678	4.1
173.13260	4.7
175.11194	1.8
177.12683	1.1
183.11732	3.6
185.13153	1.1
189.12794	1.0
197.13269	3.9
201.12714	1.5
215.14372	1.3
229.19621	1.1
239.17909	4.0
257.19003	10.4
275.20071	100.0
275.27759	8.1
276.20517	1.0
297.98196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01873	3.3
55.05302	1.4
55.05517	14.5
57.03428	3.6
57.07090	2.5
67.05514	20.2
69.03399	1.7
69.07079	11.5
70.04736	6.6
71.05000	6.9
71.24108	1.3
79.05505	20.9
81.06638	2.3
81.07069	24.8
83.04990	2.8
83.08612	6.0
85.06537	4.2
88.07626	1.5
91.05488	39.8
93.07050	21.6
95.05000	2.7
95.08617	18.0
97.06527	2.5
97.10178	1.7
103.05487	1.8
105.07046	50.4
107.04961	4.2
107.08600	18.0
109.06540	7.6
109.10166	6.6
111.08076	5.0
117.07015	9.7
119.07789	2.8
119.08595	35.8
121.06522	3.9
121.10146	12.7
123.08070	3.8
129.07016	4.8
131.08582	17.5
133.06500	1.6
133.09114	2.1
133.10133	36.2
135.08055	10.5
135.11710	3.7
137.05971	1.8
137.09607	5.1
142.07785	3.0
142.45970	1.6
143.08585	7.0
145.10150	19.2
147.08040	2.7
147.11696	20.6
149.09621	11.1
149.13277	3.0
150.87616	1.6
151.11192	2.1
155.08511	2.3
157.10141	11.4
158.10941	1.8
159.11708	18.2
161.09634	2.5
161.13255	7.5
163.11148	4.6
169.10106	3.0
171.11678	4.7
173.13277	20.5
174.14085	1.7
175.11169	3.4
175.14857	2.1
177.12796	3.3
183.11693	5.1
185.13301	3.8
187.11162	2.1
187.14851	2.6
191.14323	6.2
197.13312	3.3
199.14836	6.3
201.12729	2.5
203.14276	1.7
213.16409	3.7
215.18016	3.2
217.15817	2.0
239.17969	5.6
257.18982	13.1
275.20078	100.0
275.27823	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.88959	0.6
53.03941	0.9
55.01861	2.0
55.05273	1.1
55.05516	13.3
57.03429	1.0
57.07081	0.9
59.25526	0.6
65.03941	1.7
67.05508	14.5
69.07074	8.1
69.78342	2.2
70.06577	1.4
71.04985	2.4
77.03909	0.5
79.05495	18.2
81.07062	20.1
83.04974	2.4
83.08627	4.4
85.06541	1.3
88.07627	1.7
91.05486	44.2
93.07050	15.0
95.04981	2.9
95.08620	10.4
97.06542	1.3
97.10143	2.5
98.21484	0.9
102.09190	1.0
102.99413	0.6
103.05473	1.3
105.07034	61.1
107.04967	2.5
107.08598	11.8
109.06511	1.8
109.10156	4.5
111.08080	1.0
111.99976	1.1
115.05441	1.1
117.07015	9.2
117.99522	0.6
118.07799	0.9
119.08584	31.0
119.63803	0.6
121.00491	2.1
121.06503	2.1
121.10141	5.4
123.08125	1.4
123.11673	1.4
125.09657	1.1
129.06992	2.1
131.08577	14.6
133.10138	37.4
133.91701	0.5
135.08078	1.9
135.11684	3.7
137.09592	0.8
139.11151	0.7
141.06987	1.3
143.08559	2.5
145.10127	16.2
147.07986	1.1
147.11696	24.5
149.02362	0.7
149.09619	6.0
151.11243	0.9
155.08539	1.3
157.10091	3.0
159.11693	7.8
161.09618	1.4
161.13271	4.8
163.11203	2.1
164.34488	0.7
167.99702	1.1
169.10115	2.2
171.11719	3.2
173.13243	4.3
175.11200	1.2
175.14864	0.9
177.00305	1.3
177.12703	0.8
183.11742	2.8
185.13222	1.4
187.11139	1.0
187.14922	0.7
197.13269	2.4
199.14697	0.6
201.12628	0.7
208.01949	1.0
211.14818	0.9
215.14413	0.9
215.18045	0.9
217.02592	0.7
219.13872	1.3
229.19499	1.0
239.18022	3.0
247.20724	0.8
252.04727	1.2
252.55005	0.7
257.19016	8.9
275.20071	100.0
275.27753	14.1
276.20441	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	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03941	2.8
55.01866	4.6
55.05267	1.4
55.05518	23.0
55.55988	0.9
57.03435	1.5
57.07073	1.4
57.31424	0.9
59.05002	1.4
65.03957	1.1
65.50662	1.1
67.05511	36.6
69.07072	6.8
69.94068	3.9
69.94477	2.2
71.04990	2.2
76.36316	0.9
79.05500	47.2
81.03427	1.2
81.07071	23.3
83.05000	2.7
83.08636	5.6
91.05492	38.1
93.07051	26.2
95.04971	3.3
95.08618	12.3
97.06540	1.9
97.10195	5.4
98.05179	1.0
99.08138	1.3
105.07043	50.2
107.04963	26.1
107.08605	29.6
109.06503	2.0
109.09470	1.2
109.10167	17.5
111.08106	1.5
115.05460	1.6
117.07034	12.3
119.08595	29.9
121.06506	3.2
121.10144	10.6
123.08054	1.3
123.11722	4.4
124.06797	0.9
125.09634	4.6
129.07027	3.9
131.08585	14.5
133.06496	2.0
133.10141	31.8
135.08037	5.3
135.11705	3.3
137.09654	1.8
141.07027	1.3
143.08577	2.0
145.10126	13.9
147.10637	2.0
147.11700	20.8
149.09636	53.3
153.09128	1.8
155.08569	1.3
155.10655	2.5
157.10161	3.1
159.11700	8.8
161.09662	1.8
161.13257	8.0
162.57588	1.0
163.11221	3.8
169.10201	2.1
169.12276	1.9
171.11702	2.7
173.11768	2.7
173.13275	5.9
175.14890	1.6
177.12708	1.5
183.11703	2.3
187.11241	2.0
187.13348	2.2
187.14845	1.5
197.13293	1.4
201.12805	1.3
204.24829	0.9
213.16408	1.1
215.17950	2.6
220.11467	1.1
229.19534	9.1
233.15448	2.1
239.17966	4.3
247.20628	2.7
257.19046	16.3
275.20084	100.0
279.80957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	1.4
55.01868	4.6
55.05518	14.8
62.82412	1.3
65.03949	2.1
67.05511	21.0
69.07073	10.6
70.05045	5.1
71.05002	3.5
71.86649	1.2
79.05504	24.6
81.03426	1.6
81.07066	25.9
83.04971	3.3
83.08614	4.7
85.06571	1.5
91.05492	41.5
93.07056	23.0
95.04962	5.8
95.08622	19.3
97.06537	7.1
97.10146	1.6
99.13072	1.4
103.05474	2.4
105.07042	59.7
107.04966	5.8
107.08607	16.2
109.06528	5.1
109.10168	6.5
111.08101	1.7
117.07027	11.5
119.08595	36.2
120.70309	1.2
121.06519	6.4
121.10152	9.8
123.08042	3.1
125.09654	1.3
129.07054	1.8
131.08594	16.7
133.06526	2.4
133.10146	38.7
135.08072	3.3
135.11708	4.6
137.09645	3.4
143.08556	1.7
145.10138	13.3
147.08060	1.4
147.11711	19.0
149.09647	6.7
151.11163	4.6
155.08566	1.8
157.06670	1.2
157.10182	3.1
159.11714	9.6
161.13321	7.1
163.11201	6.4
165.12761	2.6
169.10181	2.5
171.11761	2.3
173.09717	1.3
173.13280	6.2
175.11205	1.9
175.14922	1.3
177.12701	2.3
183.11748	2.5
187.11122	1.6
197.13333	2.9
211.14967	1.6
215.14304	1.4
215.18027	2.2
229.19568	4.3
233.15451	1.5
233.18889	1.8
239.18016	7.4
247.20706	4.0
257.19009	11.9
275.20102	100.0
276.20401	1.7
289.88193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2735
Annotation	Kaurane
Peak:m/z	Relative Intensity
53.03942	1.6
55.05273	0.9
55.05515	15.8
57.07086	9.7
64.09538	0.9
64.36389	1.0
67.05511	29.5
69.07075	29.3
69.26676	6.0
69.27098	2.5
71.08626	3.4
79.05136	1.0
79.05505	13.5
81.07063	100.0
83.08624	13.8
85.10186	1.3
86.01039	1.0
91.05475	6.2
93.07051	14.9
94.38724	1.0
95.04984	1.5
95.08614	85.7
97.10166	9.2
102.44528	1.2
105.07045	5.4
107.08601	20.7
109.10164	55.4
111.11741	7.3
111.12397	1.3
119.08558	3.6
121.10147	12.2
123.10827	1.5
123.11724	28.1
125.13283	1.9
131.08542	1.4
133.10132	3.6
133.42188	1.1
135.08009	1.8
135.11703	12.3
137.13269	11.1
145.10120	1.4
149.13274	12.2
151.14825	5.8
156.97385	1.0
159.11705	1.3
162.45425	1.0
163.11249	1.2
163.14848	5.5
165.16411	1.5
173.13268	1.6
177.16283	2.2
179.17966	1.6
191.17949	1.7
195.58485	1.0
202.99677	1.2
205.19534	1.9
213.00117	3.3
214.99860	2.0
245.13239	1.4
257.19089	1.5
275.11191	1.1
275.20270	9.3
275.27390	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	selenoneine
Peak:m/z	Relative Intensity
61.06249	10.5
70.34093	36.7
73.39015	10.5
86.47738	11.0
101.33722	11.9
138.14073	11.5
170.80736	11.2
172.53342	10.6
277.03305	100.0
277.06253	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	277.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39063	0.5
53.06954	0.4
55.01894	0.6
55.05532	1.0
56.05034	3.3
56.96570	10.3
60.31420	0.5
60.99635	0.7
63.83567	0.5
65.03963	1.8
67.05504	3.3
69.03436	3.6
69.65545	2.8
71.05002	1.0
71.95280	0.9
74.97628	0.6
77.00934	0.7
81.03429	2.2
82.99894	1.6
83.04993	2.8
84.04514	77.0
84.08140	2.4
84.96020	0.6
84.99567	2.9
85.02923	4.3
85.04854	0.5
85.08504	1.1
86.99353	0.7
87.01187	0.5
88.99116	0.9
93.03406	1.9
95.04971	4.6
97.02895	2.1
98.97597	35.7
99.04492	1.0
100.00102	0.7
101.00899	15.1
102.00982	1.9
102.05551	18.5
103.00645	26.9
103.01282	1.6
103.02449	0.9
105.02212	1.3
107.00163	1.1
109.02878	2.3
110.97594	1.0
111.01155	1.8
111.04443	2.5
112.04794	0.6
113.00893	1.4
115.00661	0.8
115.02437	2.2
116.98640	22.0
117.02200	1.1
118.01146	1.0
119.01935	35.3
120.02015	7.6
121.01678	83.2
121.02880	4.5
122.03214	0.5
123.02251	0.5
124.99099	0.8
127.02422	2.4
127.04214	1.4
128.02522	0.5
128.98611	1.3
129.02165	15.2
130.05019	28.8
130.08623	0.5
131.00140	1.6
131.01938	3.8
131.03696	1.9
133.01736	2.3
133.03506	5.3
134.99672	7.6
135.03207	1.8
137.02977	7.5
137.04683	0.6
138.03050	1.5
139.02705	21.3
139.03796	1.9
140.00290	0.5
140.98448	0.5
141.02133	1.4
141.04005	0.6
142.03532	0.5
143.00168	1.7
143.01904	10.7
143.03709	1.6
144.03198	1.5
144.98119	1.0
145.01706	4.1
145.03470	10.2
145.05275	2.3
146.03635	4.5
147.03201	55.8
148.06062	35.9
149.01180	1.5
149.04735	1.1
151.04500	1.0
153.00751	1.2
153.02136	1.8
154.94193	0.5
155.01892	1.1
155.03645	2.6
156.02684	0.9
157.01634	0.7
157.03485	13.7
158.03615	0.8
158.99673	3.1
159.01321	1.3
159.03189	11.6
159.05046	1.2
160.02176	0.9
161.01266	1.8
161.02937	27.7
161.04750	4.2
162.99150	1.7
163.02716	10.6
163.03983	1.2
163.06358	1.5
165.04248	4.7
167.02031	1.1
168.06590	5.8
169.00229	0.7
169.01656	3.3
169.03445	5.0
170.03586	2.8
170.04871	0.6
171.03198	55.0
173.01146	2.2
173.02945	3.3
173.04767	11.0
175.02911	1.2
175.04539	10.9
177.00858	3.1
177.02158	0.5
177.02783	0.6
177.04265	4.7
178.01134	0.8
179.04008	1.1
179.05804	1.3
181.01656	1.6
183.05011	1.5
184.04543	1.0
185.02995	7.4
185.04622	1.0
185.51950	0.7
186.03065	1.3
186.99113	1.8
187.00955	1.4
187.02690	28.6
187.04503	5.8
187.06300	2.4
188.04652	4.3
189.04263	81.2
191.02296	3.2
191.03929	0.9
191.05711	2.5
192.00026	0.6
195.03247	0.9
196.06039	1.8
197.02933	1.5
197.04764	5.9
198.03079	1.0
198.99052	0.6
199.02725	14.0
199.04521	1.5
201.00856	0.7
201.06189	2.4
203.04121	4.6
203.05774	0.9
204.98492	0.7
205.00266	9.7
205.01889	1.1
205.03741	9.6
205.05650	0.5
205.48116	0.6
206.05595	0.6
207.01787	0.5
207.05344	12.5
209.03062	1.1
212.05902	2.9
212.93105	1.6
213.00153	0.8
213.04250	5.7
214.07120	4.3
214.96349	1.9
215.02298	2.9
215.03917	0.7
215.05771	3.4
216.04042	0.8
216.96211	0.9
217.00105	1.5
217.03760	17.9
217.05469	0.7
219.01950	2.2
221.03189	1.0
222.97047	0.7
222.99182	0.7
223.00917	1.2
223.02907	3.9
227.96474	0.7
228.98102	1.1
229.03592	0.8
229.05589	1.4
230.94228	1.4
230.97891	3.2
231.05376	46.1
231.99588	0.7
233.03230	3.7
233.07014	0.7
235.01054	2.1
235.95078	0.7
239.98874	0.5
240.05153	0.8
240.98152	3.2
241.03722	3.5
241.98479	0.8
245.04930	1.7
249.06453	25.7
250.98839	0.6
251.04492	2.7
252.96295	0.7
253.04097	0.9
253.96397	3.0
253.99367	2.4
254.94014	1.9
256.97748	3.0
258.97211	2.3
258.99701	2.8
259.04489	5.1
259.09192	1.1
260.07678	4.1
262.48663	1.1
262.96817	1.7
263.50232	0.7
270.99292	6.1
271.48657	1.0
271.99112	1.6
272.07977	1.2
272.94501	2.7
274.00293	0.7
276.93814	2.3
277.05768	100.0
278.06219	1.0
290.95346	0.9
294.92932	1.8
294.97449	1.8
295.06271	6.2
295.08453	25.5
296.95255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03948	5.1
54.23566	0.7
54.74012	0.8
55.01880	15.7
55.05517	23.0
56.96552	1.4
57.03436	2.1
57.07086	5.1
59.94431	0.7
65.03931	1.8
67.05511	50.2
68.26665	0.9
69.03416	1.4
69.07073	17.6
69.79682	4.4
71.04984	3.7
71.08636	16.3
73.06551	1.2
77.03934	1.7
77.12559	0.8
78.89396	0.7
79.05499	52.8
81.03426	5.2
81.07065	49.3
83.04990	5.3
83.08634	14.1
85.06546	2.5
85.10183	2.8
91.05491	32.6
93.07053	63.9
95.04984	10.0
95.08618	28.2
95.09116	0.4
95.09237	1.0
97.06547	8.9
97.10170	5.0
99.08107	13.2
105.04513	2.3
105.07042	24.2
107.04951	4.8
107.08603	36.5
109.06532	7.8
109.10169	13.7
111.08090	15.5
113.09639	2.5
115.05446	0.9
117.07014	4.6
119.08592	16.9
121.06502	2.7
121.10150	22.5
123.08087	5.3
123.11716	5.8
125.09624	2.2
128.06206	1.0
129.07001	4.1
131.08574	5.3
133.06552	1.1
133.10139	17.3
135.08070	2.7
135.11711	22.3
137.09587	2.5
137.13277	1.5
139.07530	1.0
139.11220	1.8
141.12741	3.0
143.08568	3.0
145.10155	7.2
147.08026	1.1
147.11705	13.5
149.09657	3.9
149.13257	15.1
151.11182	10.3
151.14828	1.0
153.12737	2.5
157.10156	3.6
159.11703	3.6
161.09634	3.4
161.13260	10.9
163.03975	1.0
163.11200	13.3
163.14809	6.5
165.12770	8.3
169.12234	1.0
171.11742	5.3
173.13248	2.9
175.11157	2.0
175.14821	4.2
177.12723	2.3
177.16370	1.4
179.10608	1.0
179.14322	5.2
181.12253	1.3
185.13272	2.8
189.12746	3.0
189.16292	1.0
189.55959	0.9
191.14293	1.1
193.12267	1.8
193.15897	1.3
195.13882	1.3
199.14835	1.7
203.14409	1.7
207.13905	4.3
213.16299	1.0
217.15895	0.9
217.19633	1.8
221.15385	4.0
231.17522	1.4
231.21039	3.3
235.16963	2.5
241.19511	6.3
249.22174	4.8
253.11157	0.8
254.11505	1.3
259.20578	11.2
266.44199	1.0
277.21643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.89852	1.2
51.02385	1.2
51.85744	1.2
53.03959	6.9
55.05513	17.5
57.07077	2.7
65.03938	1.9
65.14757	1.1
67.05182	2.1
67.05514	32.3
69.07072	19.8
70.04388	4.6
70.04722	1.3
71.04964	2.1
77.03928	2.6
79.05501	75.3
81.07059	35.9
83.04967	2.2
83.08637	7.1
85.06524	3.0
91.05490	26.7
93.07053	100.0
95.04965	5.2
95.08620	28.0
97.06505	1.8
97.10149	3.5
105.04503	2.6
105.07037	18.0
107.08604	54.0
109.06501	1.7
109.10160	13.3
117.07001	4.8
119.08589	10.1
119.26414	1.2
121.10153	45.9
121.11027	2.7
123.08069	1.9
123.11691	2.3
125.09689	1.5
127.07703	1.4
129.07048	2.5
131.08557	4.4
133.10123	10.8
135.08073	1.5
135.11702	52.9
137.24023	1.4
143.08560	2.3
145.10117	3.7
147.11708	7.0
149.09651	1.8
149.12184	2.2
149.13269	21.8
159.11644	3.6
161.13239	4.1
163.11133	1.9
163.14806	6.9
167.38176	1.2
171.11719	2.6
173.13225	3.0
175.14812	1.9
176.18983	1.1
177.12712	1.4
185.13307	1.7
187.96721	1.4
189.12750	2.3
195.13795	1.3
199.14825	2.1
207.13850	2.6
213.16316	1.5
221.15352	4.2
235.16917	3.8
241.19597	2.3
259.20572	4.0
277.21640	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03958	5.4
55.01867	3.5
55.05265	1.2
55.05518	15.2
57.03424	3.6
57.07082	4.6
57.19039	1.2
63.34206	0.9
65.03931	2.2
67.05513	38.3
69.03400	1.5
69.07076	16.9
69.86248	4.4
71.04992	1.9
71.08288	1.6
71.08642	21.6
74.80782	0.9
76.71957	1.0
79.05503	64.8
81.03424	6.2
81.07069	46.3
82.41341	1.0
83.04977	4.3
83.08631	9.1
85.06537	2.2
91.05492	25.6
93.07059	100.0
93.69254	1.2
94.04212	1.0
95.04990	10.0
95.08621	36.1
97.06539	5.8
97.10160	4.1
99.08112	15.8
105.04514	2.2
105.06384	1.8
105.07040	20.7
107.04964	3.4
107.08609	48.7
109.06530	3.3
109.10166	10.5
111.08072	1.5
117.07040	3.8
119.08582	12.8
121.06488	1.2
121.10159	37.7
123.08076	2.5
123.11693	2.4
125.09631	1.0
129.06992	1.7
131.08554	4.6
133.10146	9.5
134.44815	1.0
135.08043	1.0
135.11711	53.1
137.09671	2.2
137.13338	1.1
139.11140	0.9
141.09097	3.2
143.08549	3.2
145.10162	5.3
147.11697	7.2
149.13277	16.8
151.11198	9.6
157.10202	2.1
157.53923	1.1
159.11725	2.9
161.09654	1.5
161.13295	7.6
163.11214	5.4
163.14847	5.3
165.12770	1.1
167.10678	3.0
168.27692	0.9
171.11726	2.8
173.13321	1.4
175.11263	1.1
175.14735	2.7
177.12767	1.8
179.14319	23.7
179.15836	1.8
181.12201	2.2
185.13242	2.3
189.02104	1.0
189.12694	1.5
193.12138	1.5
195.13815	1.8
199.14864	1.7
203.14325	1.3
207.13847	2.2
213.16325	1.2
217.19521	1.4
221.13359	0.9
221.15388	4.5
235.16980	6.5
241.19485	2.8
259.20651	7.0
277.21664	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02374	1.7
53.03940	4.5
55.05520	23.1
57.03444	8.2
57.07068	3.0
64.05145	1.4
65.03925	2.2
66.10036	1.8
67.05179	2.8
67.05512	38.4
69.07074	21.0
69.27489	11.8
69.27900	3.3
71.04987	2.5
77.03900	2.7
79.05504	80.5
81.03396	1.5
81.07066	50.7
81.14314	1.5
83.04981	2.5
83.08618	8.9
85.06533	4.3
86.95837	1.5
90.70858	1.6
91.05492	30.7
93.07055	95.6
95.04984	7.7
95.08057	2.5
95.08618	40.9
97.06562	2.4
97.10178	3.7
99.08147	1.7
101.31892	1.4
103.61038	2.1
105.04537	1.6
105.07039	18.0
106.07866	2.0
107.08610	62.2
109.06524	5.3
109.10191	14.4
111.08123	1.5
113.09638	1.9
117.07037	4.4
119.06001	2.1
119.08590	14.6
121.09328	2.7
121.10162	52.1
123.08066	3.8
123.11731	2.0
129.06998	3.6
131.08594	9.4
133.10144	15.9
135.11711	48.8
137.09625	3.6
139.11205	1.8
143.08537	3.7
144.89653	1.5
145.10173	8.7
147.11694	13.0
149.13278	26.7
151.11192	1.7
157.10152	2.6
159.11710	5.7
161.13200	5.2
163.14813	6.7
165.12819	2.2
169.80644	1.9
171.11647	2.6
173.13284	2.3
175.14830	3.5
177.12677	2.4
181.12192	2.5
185.13298	2.7
187.14845	7.1
195.13814	2.6
203.17804	1.8
205.15915	5.4
207.13838	2.8
215.17986	2.0
221.15381	3.7
221.18964	2.2
235.16980	3.1
241.19458	3.6
259.20569	9.2
267.17505	1.8
270.61502	1.8
277.21652	100.0
287.29324	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	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03942	3.8
55.05310	1.3
55.05518	16.2
57.07070	2.3
67.05508	34.5
69.06777	1.3
69.07072	13.6
70.79578	3.9
71.04979	2.4
77.03931	2.8
79.05502	76.5
81.07064	35.6
83.08641	7.2
85.06561	1.8
91.05489	29.5
93.07055	100.0
95.04969	4.7
95.08611	23.4
97.06536	1.8
97.10184	3.5
101.65765	1.4
105.04549	1.5
105.07043	11.5
107.08605	52.3
109.06489	1.9
109.10170	14.7
117.07020	2.3
119.08593	10.3
121.10151	38.0
123.08100	1.5
123.11698	2.6
129.06993	1.7
131.08591	3.7
133.10153	10.5
135.08081	1.5
135.11710	57.3
143.08569	2.0
145.10155	3.7
147.11703	7.2
149.09615	1.9
149.13266	26.0
159.11678	3.1
161.13254	4.4
163.11151	2.4
163.14841	6.4
171.11656	3.6
173.13251	2.0
181.12233	1.7
195.13817	3.8
199.14772	3.0
203.14249	2.3
207.13843	2.8
213.16330	3.2
221.15355	3.5
235.16956	4.2
241.19466	1.9
259.20609	3.6
277.21649	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73574	0.6
51.26802	0.6
56.96294	0.9
56.96567	16.1
57.07081	3.4
62.91212	0.6
66.90156	0.7
67.05510	0.7
70.87300	1.3
71.95258	1.5
75.15404	0.7
78.59051	0.7
81.07030	0.8
98.97590	100.0
99.97948	0.6
102.96879	1.4
104.99262	1.7
110.97580	22.2
111.67789	0.8
116.98627	48.4
120.97959	1.0
120.98764	1.0
121.02893	1.5
124.95472	0.7
128.98618	20.8
131.00191	1.3
131.24788	0.6
133.69386	0.7
134.99667	15.7
140.00175	5.0
142.96562	1.6
143.00148	0.6
146.99670	10.8
149.02339	22.5
152.00232	1.7
153.00763	1.4
158.01314	2.1
158.99667	29.6
160.97597	1.5
165.00658	0.8
167.03415	1.0
170.01297	1.4
170.99684	11.5
177.00719	38.7
182.99706	1.5
189.00717	23.4
189.02348	1.2
191.02324	0.7
195.01773	3.4
200.02304	5.6
201.00673	3.7
207.01791	11.6
210.88965	0.9
210.92162	0.8
212.02321	2.8
214.91562	0.6
218.95383	0.6
219.01761	5.2
224.02443	0.9
224.58182	0.6
230.03371	1.4
232.92734	1.0
232.96118	1.5
232.99974	0.8
237.02843	8.0
249.02736	1.3
250.97108	1.3
255.04022	2.0
258.90591	0.7
277.00708	0.9
278.96912	1.6
279.03848	5.4
288.05273	1.3
288.91901	1.5
296.97849	0.8
297.04965	1.4
300.98837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65856	1.0
51.60310	0.8
53.03941	2.2
55.05513	40.2
56.96575	5.4
57.07083	12.2
57.98793	0.9
58.99587	19.6
65.03933	1.8
67.05511	2.2
69.03435	2.7
69.07047	1.8
70.06587	1.0
71.36213	1.6
73.01148	2.1
75.35357	1.1
76.02239	6.4
76.03999	4.2
79.05498	2.6
81.07056	2.5
83.08620	32.7
84.08154	1.4
85.02903	2.2
86.09692	1.9
86.99055	15.2
88.02220	4.9
91.05457	2.3
92.63988	1.0
93.07027	1.4
95.04995	1.9
97.02892	1.9
97.06528	1.1
98.97582	10.1
101.09662	2.3
103.05447	1.0
105.03378	2.6
105.07014	1.8
107.04963	1.7
107.08600	1.4
109.02907	1.3
109.06535	1.3
110.97578	2.9
113.05993	1.5
115.03877	0.9
115.05482	1.5
116.01683	62.2
116.98614	3.6
117.07016	1.4
119.08507	1.0
120.41550	1.1
121.02835	4.5
121.03999	0.8
121.10084	0.9
128.98610	2.1
130.04971	1.5
133.06499	1.8
134.99638	1.3
137.05986	1.8
144.01143	27.5
147.04413	2.5
149.02347	84.1
158.99638	2.8
159.08353	7.3
161.06003	2.8
162.02211	100.0
163.02644	1.1
167.03423	1.5
169.04974	1.3
170.99591	1.4
173.05986	1.3
175.07597	1.2
177.00752	3.3
181.04961	2.2
189.00772	1.9
189.05464	1.4
189.09181	1.3
193.04915	1.1
205.04849	1.1
205.08655	1.5
207.10135	0.9
208.04967	1.7
211.57983	1.1
217.08627	0.9
219.01843	2.8
219.06543	1.1
219.10199	2.0
221.08092	1.9
233.08249	1.5
237.02800	2.8
261.11295	1.4
262.11105	20.9
279.03943	1.8
279.08774	4.1
279.13348	1.7
279.17807	1.8
280.07077	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	279.1707
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.05516	0.6
56.96569	2.3
57.07084	6.7
65.03954	0.7
67.05511	0.8
69.03442	1.0
69.07069	1.0
70.06615	1.0
71.37524	0.6
71.37855	0.8
74.93561	0.5
79.05484	1.4
81.07087	0.6
84.08176	0.6
84.96030	0.6
85.02912	1.2
86.09718	100.0
91.05508	2.0
93.03402	0.7
93.07063	1.3
95.08580	0.6
97.02905	1.1
98.97598	5.8
103.05484	4.4
105.03391	0.5
105.07029	0.9
107.08601	0.6
108.68909	0.4
109.02928	0.5
110.97573	1.1
111.04449	0.5
116.98652	2.9
116.99333	0.6
118.48019	0.5
120.08121	75.3
121.02867	2.5
128.98618	1.4
131.04938	0.6
132.10167	0.8
133.06523	0.8
134.99620	0.5
146.99727	0.8
149.02365	46.8
152.79160	0.5
158.99664	1.2
161.06015	0.9
166.08656	10.0
167.03461	1.2
177.00771	2.7
179.86304	0.6
181.05023	1.9
187.51949	0.7
193.06404	0.7
205.06654	0.6
205.08556	0.6
207.01790	0.7
220.64384	0.5
221.08116	1.3
233.16576	1.5
237.02866	0.7
251.10512	0.7
279.08859	3.5
279.12946	0.8
279.17065	4.3
300.06323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Crepenynic acid
Peak:m/z	Relative Intensity
51.73560	1.3
54.23634	1.3
54.71434	1.3
55.01865	1.8
55.05519	12.5
56.96563	1.7
57.03435	2.3
57.07080	17.8
65.03930	3.0
67.05509	89.8
69.03457	1.5
69.07065	11.9
70.10276	2.8
70.10647	5.4
71.08282	1.8
71.08637	21.3
79.05496	18.7
80.18706	1.3
81.07063	100.0
83.04993	4.3
83.08609	9.7
85.06525	3.2
85.10180	21.2
91.05485	17.4
93.07051	21.7
95.05013	1.8
95.08614	83.4
97.06532	3.3
97.10182	3.1
98.97613	6.6
99.08107	19.4
105.07047	11.0
107.08607	11.8
109.06541	1.4
109.10169	28.3
110.97557	1.7
111.08072	2.6
113.09649	29.2
113.72119	1.6
116.98653	2.5
117.07045	2.4
119.08567	5.9
121.02825	1.8
121.10142	9.1
123.11705	12.9
131.08572	4.9
133.10138	15.9
134.99666	1.9
135.08011	2.2
135.11705	8.0
137.13243	9.7
145.10127	5.4
147.11705	14.1
149.01149	2.5
149.02353	42.8
149.09680	2.7
149.13272	8.3
151.11189	1.6
151.14848	5.8
153.12743	2.2
158.99696	1.9
159.11682	2.4
161.13284	2.1
163.11211	4.7
163.14859	4.8
165.12781	6.6
167.14301	1.9
173.13235	6.7
177.00851	1.8
177.12766	2.0
179.14407	1.8
181.12372	1.6
181.15895	2.8
187.14885	2.0
191.14403	2.4
195.13841	2.2
209.15355	4.6
223.16811	3.2
243.21112	4.4
261.09271	3.1
261.22076	9.3
279.09943	4.3
279.23212	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03946	1.1
55.01861	0.5
55.05516	9.5
57.03435	1.5
57.07078	5.5
60.16441	0.4
65.03951	2.3
67.05509	99.5
69.03462	0.6
69.06717	0.9
69.07070	11.5
71.04996	1.4
71.08616	0.5
79.05495	13.7
81.07062	100.0
82.07395	0.6
83.04992	1.3
83.08630	5.7
85.06557	1.7
91.05477	4.2
93.07053	14.2
95.04997	1.1
95.08614	80.3
97.06537	1.6
97.10184	3.2
99.08133	0.9
105.01858	0.5
105.07036	3.7
107.08598	7.2
107.54966	0.5
109.06519	0.9
109.10163	47.7
111.08097	0.8
111.11722	1.5
117.07030	1.3
119.08596	5.0
121.02848	0.8
121.10152	9.2
123.08073	1.2
123.11720	25.5
131.08559	4.2
133.10167	2.8
135.07069	0.4
135.08086	1.4
135.11713	4.6
137.09650	1.3
137.13261	10.4
141.09122	0.6
145.10123	2.9
147.11668	2.4
149.01151	1.0
149.02351	18.9
149.09630	1.7
149.13255	2.7
151.11192	1.3
151.14830	2.4
153.12743	0.5
159.11708	2.3
161.13303	2.6
163.11258	1.7
163.14841	2.0
165.12834	1.1
165.16373	0.8
167.10649	1.0
173.13258	3.0
177.12750	1.4
177.16380	0.8
178.86777	0.4
179.14307	1.2
181.12231	1.3
187.14882	3.0
190.07849	0.6
191.14346	1.4
195.13785	2.6
201.16393	1.2
205.15884	1.0
209.15378	3.6
215.08531	0.5
218.07338	2.5
219.05672	1.1
219.07805	0.6
219.21085	0.8
223.16916	4.5
233.09576	3.4
236.08310	0.9
237.09258	0.8
237.16299	0.5
237.18532	1.0
240.74585	0.5
243.21059	3.2
251.10513	0.7
261.09164	8.6
261.22119	4.9
264.07898	3.0
279.10184	9.8
279.19928	2.0
279.23193	35.7
280.23737	0.7
280.26553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1174
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
54.58911	0.7
55.05510	1.0
59.38913	0.6
67.05499	2.3
68.99769	0.8
69.03426	2.6
69.07069	0.8
69.86263	0.6
71.25263	1.2
78.98025	0.7
79.05498	1.8
81.07053	0.7
83.01356	1.7
83.04958	0.6
91.05500	3.5
93.07037	0.8
95.04958	2.9
95.08580	0.8
98.97576	1.2
105.07027	2.0
115.05466	1.1
116.98660	0.9
117.07029	1.2
119.08604	0.6
121.06546	1.3
121.10186	0.5
123.04409	0.6
128.06258	1.5
129.07033	4.9
131.04944	0.7
133.06480	0.8
133.10138	0.9
141.06963	2.3
143.08511	1.2
145.06508	6.7
147.04381	1.8
152.06230	2.2
153.07016	2.3
154.07736	0.7
155.08530	2.8
157.06497	3.5
157.10123	1.6
158.07291	2.0
159.08069	1.2
159.11784	0.8
165.07019	4.7
166.07785	3.4
167.08595	6.2
168.05708	0.8
168.09320	0.8
169.06473	1.6
169.10165	2.6
170.07281	2.0
171.08104	3.8
171.11671	0.7
177.07004	0.9
178.07759	4.7
179.08562	5.2
181.06491	7.3
181.10097	5.0
182.07262	3.3
182.10922	1.8
183.08101	5.4
183.11777	1.5
184.05217	1.1
185.05968	14.2
185.09593	7.6
186.00693	1.4
187.07542	1.1
189.07011	1.4
190.07961	0.7
191.08580	5.6
192.09367	8.9
193.10130	7.6
194.07259	3.4
194.10902	0.8
195.08066	36.1
196.08813	10.1
197.06032	1.7
197.09660	4.5
197.13258	2.1
198.06633	1.0
202.07750	6.4
203.08559	2.8
204.09167	0.8
205.06512	10.1
206.07266	3.7
207.08112	3.5
207.11722	8.5
208.08813	2.1
209.05885	0.7
209.09612	9.0
210.06778	1.8
210.10426	23.4
211.07628	5.8
211.11183	8.6
212.08328	0.8
215.08464	0.7
216.09360	0.9
217.10129	3.1
219.08066	11.6
219.11540	1.1
220.08841	21.8
221.06158	1.5
221.09634	10.4
222.06822	1.5
222.10353	6.2
223.07568	16.7
223.11139	0.9
224.08336	12.7
225.05522	0.7
225.09204	10.7
225.12740	22.3
227.07037	1.2
231.08096	1.5
233.05980	1.8
233.09619	0.9
234.06760	2.2
234.10391	0.7
235.07654	1.2
235.11205	26.1
236.08360	1.1
236.11935	1.1
237.05598	3.7
237.09123	11.3
237.12836	2.1
238.09904	53.9
239.07181	3.1
239.10686	41.3
240.07767	2.4
240.11174	0.7
245.09663	3.7
247.07480	3.2
248.08351	26.6
249.09103	5.9
250.06351	1.5
251.07069	29.7
251.10654	2.3
252.07782	6.8
252.11523	1.0
253.08717	3.0
253.12254	56.7
254.09595	1.0
254.12408	1.0
263.10699	26.0
264.11386	1.2
265.08603	5.5
266.09406	47.6
281.11746	100.0
281.18628	1.9
282.12070	1.0
299.06296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1174
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
53.03958	0.7
57.03442	0.9
60.94499	0.6
67.05499	1.3
69.03427	3.5
69.58652	1.6
69.59067	2.8
79.05493	0.9
91.05478	1.0
95.04967	1.2
95.08587	0.8
98.20746	1.3
98.97572	0.8
114.03191	0.8
117.07037	0.7
141.07016	1.0
145.06442	2.1
154.07751	1.1
155.08551	1.9
159.08044	0.9
165.07036	2.0
166.07677	1.2
167.08569	1.8
169.06465	1.6
169.10139	2.2
171.08055	1.4
178.07788	1.8
179.08556	2.8
181.06465	3.0
181.10068	1.0
182.07272	2.6
183.08121	1.9
184.08835	5.0
191.08542	3.8
192.09367	6.8
193.10158	1.8
195.08064	10.5
196.08842	3.2
197.09636	29.0
202.07819	3.4
203.08757	1.0
205.06514	6.0
207.08083	1.1
207.11713	5.3
209.09669	4.4
210.10379	6.3
211.07582	1.7
211.11171	2.9
217.10106	2.7
219.08102	4.7
220.08850	19.9
221.09657	3.8
223.07552	13.7
224.08325	5.7
225.09180	4.6
225.12747	6.8
234.10600	0.7
235.11182	23.5
237.09171	6.5
238.09895	28.6
239.10683	4.0
247.07617	0.9
248.08327	4.6
249.09119	0.9
249.32541	0.8
251.07033	3.0
252.11540	1.8
253.12247	26.4
253.14885	1.3
263.10745	5.3
265.08661	0.9
266.09396	9.0
281.11734	100.0
281.26666	1.7
282.12143	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	281.1176
Annotation	PHENPROCOUMON
Peak:m/z	Relative Intensity
55.01861	0.7
55.05505	1.5
56.96552	1.1
57.07079	1.4
60.95838	1.6
67.05518	2.8
69.07071	1.1
71.85322	0.5
72.08151	0.5
79.05491	1.5
79.65753	0.6
81.07058	2.5
83.05007	0.8
83.08605	0.9
86.09701	2.0
91.05464	1.3
93.07055	1.0
95.08598	1.8
96.36329	0.5
98.21484	1.6
98.97591	1.6
104.10748	2.1
105.07040	1.3
107.08580	0.8
109.06558	0.7
109.10159	1.0
109.71659	0.6
116.98618	0.9
119.08612	1.0
121.10161	0.7
124.99995	0.8
131.52107	0.8
133.10207	0.6
134.99527	1.2
140.52635	3.0
155.08583	0.9
157.10078	0.6
159.53395	1.8
167.08585	0.9
168.53931	0.6
169.10146	0.6
171.04279	0.6
176.94505	0.7
178.07791	0.9
179.08618	1.4
181.06464	1.6
182.07291	0.7
183.08069	0.6
184.07378	1.9
190.07834	0.6
191.08640	0.7
192.09367	3.0
193.10153	0.9
195.08093	3.3
196.08861	1.5
197.09639	3.0
202.07799	3.2
203.08540	1.4
205.06514	2.4
206.07382	0.8
207.08115	1.9
207.11763	1.7
209.09642	1.6
210.06825	1.9
210.10446	1.7
211.07532	0.7
211.11102	0.9
217.10158	1.8
219.08084	6.0
220.08853	11.7
221.09637	1.2
223.07518	3.9
224.08344	13.4
225.09198	3.6
225.12854	2.2
234.92084	0.7
235.11183	12.2
236.38824	0.5
237.09122	1.6
238.09912	5.6
239.04413	0.9
239.10857	0.6
243.14378	0.6
245.09598	1.1
248.08357	2.9
251.07185	0.8
253.12302	6.6
263.10754	6.2
265.08527	0.8
266.09427	3.3
280.63678	1.0
281.11758	100.0
282.12204	0.8
299.06137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1176
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
53.03922	0.8
53.08496	0.7
55.01864	2.2
55.05518	6.4
56.05023	2.2
56.96569	5.6
57.07074	1.1
58.06595	1.0
62.63688	0.9
65.03926	0.9
67.05517	3.8
69.03417	2.3
69.07074	4.9
70.06630	1.0
79.05483	2.9
80.05011	1.8
81.03400	0.9
81.07069	4.0
82.05895	0.7
82.06579	7.4
83.04965	1.4
83.08216	0.9
83.08627	12.0
84.04521	1.3
85.02902	1.5
91.05481	4.9
93.07026	3.3
94.06577	0.9
95.04944	1.2
95.08607	3.8
97.02888	0.9
97.06523	1.6
98.97588	2.9
101.06007	1.1
105.07014	3.3
107.04981	1.5
107.08584	1.5
108.04466	1.3
108.08109	3.7
109.02861	1.0
109.06487	1.2
109.10163	2.4
110.06069	1.1
111.08070	3.0
115.05457	1.2
117.06993	2.0
119.08538	2.4
121.06503	1.6
122.06046	12.0
123.09174	1.8
125.10778	5.7
128.06223	1.5
129.07030	3.9
131.08543	2.8
133.06396	0.9
133.10097	0.8
134.06012	1.0
136.07588	1.6
137.22350	0.7
138.07884	1.6
139.03867	0.9
141.06976	1.5
143.00148	1.0
144.05638	1.0
145.06461	2.9
149.08337	1.8
153.06935	1.2
157.06454	2.3
157.08582	1.1
159.08020	2.9
161.01192	1.2
161.06012	1.7
165.07002	2.1
166.07767	0.8
166.96837	0.9
167.08575	1.4
169.10104	1.2
173.05981	3.2
175.07568	1.0
175.09679	1.6
178.07787	1.8
178.12323	0.9
179.08508	2.8
181.06473	2.4
181.10129	1.0
183.08058	2.2
185.06001	1.6
187.07532	2.9
188.10677	3.2
189.07138	0.8
189.51526	0.9
190.12260	1.8
191.08612	5.4
192.08984	9.5
193.10107	1.9
195.08084	5.0
196.08768	2.4
197.05930	0.8
197.09697	1.2
199.07585	1.0
202.07793	3.2
203.08559	1.9
204.07835	2.6
205.06450	3.4
206.07306	0.9
206.11690	1.4
207.08049	3.8
207.11725	3.9
208.08742	2.8
208.13304	1.3
209.09615	3.4
210.10313	4.4
211.07564	1.1
217.08568	1.5
217.10379	1.1
218.07266	1.0
219.08055	6.9
220.08675	16.1
221.09657	5.0
222.10306	2.3
223.07607	6.1
223.11099	0.9
224.08321	1.8
225.09140	2.3
225.12750	1.7
226.14381	0.9
234.06697	2.0
234.10370	2.5
235.07475	3.2
235.11186	24.3
236.12895	6.4
237.05556	1.6
237.09097	5.9
237.12772	3.9
238.09911	34.4
239.10556	2.3
245.09688	1.8
245.16554	3.9
246.14961	0.9
247.07567	2.4
248.08363	16.3
249.09129	8.1
250.06345	2.3
250.09470	21.0
251.07057	9.9
251.10744	1.0
253.12242	32.3
263.08902	4.5
263.10629	13.1
263.17587	17.3
264.11426	1.4
264.15961	48.9
265.08545	9.0
265.12195	3.4
266.09412	54.5
267.09946	1.0
268.38736	0.8
271.57953	1.0
281.08316	5.9
281.11679	100.0
281.18558	29.2
299.06021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1176
Annotation	PHENPROCOUMON
Peak:m/z	Relative Intensity
55.05508	0.8
57.56441	0.6
61.28603	0.5
65.75095	0.5
67.05517	0.9
67.42887	0.7
69.03455	1.0
69.17551	5.7
79.04271	0.6
79.05505	1.0
80.19347	0.6
80.90603	0.5
81.00547	0.6
81.07056	1.2
91.05500	1.2
98.97583	0.8
105.07104	0.7
109.71423	0.6
119.08654	0.8
137.33148	0.5
153.07045	0.9
165.07051	3.1
167.08580	1.6
178.07826	1.9
179.08559	1.3
181.06560	0.7
181.10231	0.7
189.06929	1.5
190.07787	2.5
191.08594	3.2
192.09421	3.1
193.10219	1.3
194.07330	1.2
195.08075	3.3
195.11694	0.6
196.08894	1.8
202.07784	7.8
203.08539	3.7
204.09325	1.4
205.06525	2.6
205.10178	2.6
207.08092	1.2
207.11742	1.6
208.08826	3.3
209.09669	1.7
210.10445	1.3
215.08702	0.8
216.09386	0.9
217.10164	2.7
218.07291	2.1
219.08089	10.4
220.08850	19.0
221.09593	1.7
222.10445	2.6
223.07681	0.8
223.11259	1.6
225.12811	1.3
233.09624	1.3
234.10289	0.9
235.11203	69.5
236.11621	0.9
237.12785	1.2
245.09735	1.7
248.08379	1.2
251.10707	0.9
253.12273	4.6
263.10709	84.4
264.11029	1.6
266.09344	1.1
278.90561	0.8
281.11752	100.0
282.12259	1.1
290.15317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1174
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
55.05507	5.1
55.23934	1.2
67.05511	1.8
69.03438	1.6
69.19455	1.2
70.15253	2.7
70.15655	2.9
71.47370	1.2
79.88337	1.4
81.07056	2.2
85.06564	1.7
93.07091	1.8
97.06536	1.3
98.41391	1.2
98.97547	1.3
106.55280	1.1
107.08691	1.3
109.10171	2.2
153.07045	2.9
154.80986	1.3
165.07011	25.0
165.08307	2.0
166.00998	1.3
166.07802	4.6
167.08568	5.1
174.36572	1.2
178.07751	13.5
179.08577	29.2
180.09242	1.3
181.06514	10.8
181.10139	3.4
182.07304	2.0
183.08000	1.4
189.07008	4.3
190.07800	15.2
191.08571	23.2
192.09357	48.9
193.10139	7.6
194.07266	4.6
195.08139	5.9
202.07729	11.0
203.08653	6.9
205.06473	7.9
205.10136	13.2
206.07230	1.6
206.10863	2.2
207.08105	5.5
207.11707	66.7
208.08847	2.8
209.09651	8.7
217.10147	5.8
218.07297	19.9
219.08035	19.1
220.08846	20.9
221.09723	7.1
223.07713	2.2
223.09248	2.3
223.11226	34.3
225.09296	1.4
232.08949	1.6
233.09572	11.2
234.10466	2.4
235.07603	2.5
235.11189	54.5
235.52963	1.2
236.08336	2.2
237.09177	10.8
238.09930	4.8
239.07155	2.0
245.09641	1.8
248.08377	5.5
249.09129	2.5
251.10692	38.4
253.12257	5.2
261.10321	6.5
263.10703	100.0
264.11282	4.4
265.08771	1.6
269.08640	1.7
281.08569	1.6
281.11670	24.9
281.14471	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	281.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
53.08496	0.7
55.01864	2.2
55.05518	6.4
56.05023	2.2
56.96569	5.6
57.07074	1.1
58.06595	1.0
62.63688	0.9
65.03926	0.9
67.05517	3.8
69.03417	2.3
69.07074	4.9
70.06630	1.0
79.05483	2.9
80.05011	1.8
81.03400	0.9
81.07069	4.0
82.05895	0.7
82.06579	7.4
83.04965	1.4
83.08216	0.9
83.08627	12.0
84.04521	1.3
85.02902	1.5
91.05481	4.9
93.07026	3.3
94.06577	0.9
95.04944	1.2
95.08607	3.8
97.02888	0.9
97.06523	1.6
98.97588	2.9
101.06007	1.1
105.07014	3.3
107.04981	1.5
107.08584	1.5
108.04466	1.3
108.08109	3.7
109.02861	1.0
109.06487	1.2
109.10163	2.4
110.06069	1.1
111.08070	3.0
115.05457	1.2
117.06993	2.0
119.08538	2.4
121.06503	1.6
122.06046	12.0
123.09174	1.8
125.10778	5.7
128.06223	1.5
129.07030	3.9
131.08543	2.8
133.06396	0.9
133.10097	0.8
134.06012	1.0
136.07588	1.6
137.22350	0.7
138.07884	1.6
139.03867	0.9
141.06976	1.5
143.00148	1.0
144.05638	1.0
145.06461	2.9
149.08337	1.8
153.06935	1.2
157.06454	2.3
157.08582	1.1
159.08020	2.9
161.01192	1.2
161.06012	1.7
165.07002	2.1
166.07767	0.8
166.96837	0.9
167.08575	1.4
169.10104	1.2
173.05981	3.2
175.07568	1.0
175.09679	1.6
178.07787	1.8
178.12323	0.9
179.08508	2.8
181.06473	2.4
181.10129	1.0
183.08058	2.2
185.06001	1.6
187.07532	2.9
188.10677	3.2
189.07138	0.8
189.51526	0.9
190.12260	1.8
191.08612	5.4
192.08984	9.5
193.10107	1.9
195.08084	5.0
196.08768	2.4
197.05930	0.8
197.09697	1.2
199.07585	1.0
202.07793	3.2
203.08559	1.9
204.07835	2.6
205.06450	3.4
206.07306	0.9
206.11690	1.4
207.08049	3.8
207.11725	3.9
208.08742	2.8
208.13304	1.3
209.09615	3.4
210.10313	4.4
211.07564	1.1
217.08568	1.5
217.10379	1.1
218.07266	1.0
219.08055	6.9
220.08675	16.1
221.09657	5.0
222.10306	2.3
223.07607	6.1
223.11099	0.9
224.08321	1.8
225.09140	2.3
225.12750	1.7
226.14381	0.9
234.06697	2.0
234.10370	2.5
235.07475	3.2
235.11186	24.3
236.12895	6.4
237.05556	1.6
237.09097	5.9
237.12772	3.9
238.09911	34.4
239.10556	2.3
245.09688	1.8
245.16554	3.9
246.14961	0.9
247.07567	2.4
248.08363	16.3
249.09129	8.1
250.06345	2.3
250.09470	21.0
251.07057	9.9
251.10744	1.0
253.12242	32.3
263.08902	4.5
263.10629	13.1
263.17587	17.3
264.11426	1.4
264.15961	48.9
265.08545	9.0
265.12195	3.4
266.09412	54.5
267.09946	1.0
268.38736	0.8
271.57953	1.0
281.08316	5.9
281.11679	100.0
281.18558	29.2
299.06021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1175
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
51.98197	0.5
55.05516	1.3
55.18587	0.6
56.96576	3.5
57.03448	0.7
57.07070	1.0
63.86338	0.5
67.05499	1.9
69.03425	1.2
69.07073	1.8
70.88185	0.6
70.88525	1.1
73.02911	0.8
79.05499	1.0
81.07059	1.4
91.05473	1.9
93.07035	1.1
95.04971	0.7
95.08620	1.3
97.02934	0.7
97.06547	1.3
98.97583	4.1
105.07023	1.5
107.08585	1.6
109.02892	1.4
109.06481	0.8
109.10172	0.7
110.97581	1.3
116.98630	1.5
119.04957	0.6
119.08575	1.4
121.06541	0.9
121.10155	0.8
128.98601	2.3
131.08597	1.1
133.06526	1.1
133.10153	1.1
135.08061	1.1
143.00166	0.6
145.06596	0.8
146.99663	0.8
147.04399	1.2
158.99709	0.7
161.01239	0.8
165.07030	1.5
167.08592	0.7
171.08022	1.2
175.07527	0.8
178.07811	1.6
179.08546	2.5
181.06488	1.7
181.10028	0.6
182.07301	0.8
183.08051	1.1
189.07057	0.7
191.08574	2.1
192.09332	2.8
193.10152	1.4
194.07301	0.7
195.08044	4.0
196.08873	1.1
197.09595	1.4
202.07782	3.6
203.08556	3.0
205.06519	9.2
206.07324	1.0
207.08096	1.8
207.11705	1.9
209.09596	1.1
210.06813	1.6
210.10435	2.8
211.07533	1.5
211.11198	1.5
217.08298	0.6
217.10161	1.5
219.01738	1.4
219.08061	10.7
220.08855	24.6
220.10983	1.3
221.09631	1.9
223.07591	3.6
224.08350	6.5
225.09114	1.8
225.12791	2.3
231.08072	2.4
233.09808	0.7
234.06790	1.0
234.10426	0.9
235.07489	1.3
235.11201	26.7
236.11766	0.9
237.02859	1.5
237.09175	2.8
237.12878	0.7
238.09898	14.6
239.07030	0.7
239.10756	1.7
245.09669	2.0
247.07503	2.2
248.08359	17.5
249.09053	2.5
250.06192	1.3
251.07202	2.9
251.10654	1.2
252.07773	0.7
253.12250	12.6
263.10742	22.0
264.11411	0.9
265.08582	3.0
266.06448	1.0
266.09421	20.7
281.11740	100.0
282.11987	1.5
298.16125	0.6
301.14368	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.6
55.01868	6.2
55.05256	2.9
55.05514	36.1
56.96561	6.7
57.03445	28.5
57.07073	2.3
65.03939	4.2
67.05511	87.1
69.03440	2.0
69.07076	15.9
71.04993	3.8
73.06562	3.2
79.05502	100.0
81.03423	16.5
81.07067	67.4
83.04989	37.0
83.08636	11.8
85.06532	4.4
87.04459	1.9
91.05487	73.2
93.07050	77.1
95.04979	27.7
95.08615	40.2
97.06525	7.2
97.10180	6.2
98.21506	4.2
98.97570	6.2
99.08078	3.0
103.05489	2.7
105.04514	4.0
105.07041	51.2
107.04977	10.4
107.08607	22.4
109.06509	9.8
109.10194	10.7
111.08079	1.9
115.05429	1.8
116.98562	2.4
117.07008	9.2
119.08584	32.8
120.36183	1.5
121.06538	3.8
121.10144	7.1
123.08031	10.8
127.07547	2.7
128.06218	4.8
129.07028	19.8
131.08582	4.6
133.10164	17.6
135.08000	1.7
135.11661	2.8
141.06958	2.1
143.08563	10.5
145.10149	11.8
147.04425	2.2
147.08023	3.3
147.10648	2.6
147.11700	34.4
155.08591	2.0
159.11725	1.6
161.09618	6.0
161.13272	17.2
165.06961	2.2
171.11694	29.3
179.08577	2.3
179.14160	2.3
182.07277	1.6
186.00735	3.0
189.12747	12.7
195.08003	2.5
207.13837	11.7
210.06888	1.6
220.08887	3.1
229.70403	1.6
235.11113	5.5
239.10793	3.5
248.08479	1.9
253.12166	3.5
263.10574	2.4
266.09402	1.9
281.04654	5.9
281.08020	9.7
281.11636	13.6
281.14389	1.7
281.17438	39.0
299.11566	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	281.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.0
55.01869	7.2
55.05265	1.9
55.05518	31.8
56.96564	3.3
57.03443	29.8
57.07074	1.6
65.03942	3.7
67.05512	85.5
69.03434	3.3
69.07076	18.8
71.04987	4.3
71.06373	3.9
72.94148	1.2
73.06553	1.9
79.05501	100.0
81.03423	19.2
81.07066	62.5
83.04991	36.1
83.08612	10.9
85.02924	1.4
85.06544	2.3
90.02901	1.4
91.05492	73.5
91.97868	1.5
93.07056	64.9
95.04977	32.2
95.08616	42.4
95.09231	1.5
97.02880	2.7
97.06557	8.5
97.10162	5.5
98.97586	3.3
103.05449	2.7
105.04530	3.7
105.07042	52.5
107.04986	12.3
107.08611	22.3
109.02879	3.4
109.06519	10.2
109.10178	8.4
111.08128	3.5
115.05463	2.8
117.07025	12.2
119.08592	35.0
121.06519	3.5
121.10155	5.5
123.08102	9.0
127.07550	2.9
128.06255	3.2
129.07018	17.7
130.07771	1.4
131.08612	5.3
133.06525	2.3
133.10139	19.7
135.11653	4.0
141.09132	1.6
143.08562	10.6
145.06480	2.5
145.10155	12.1
147.08061	3.7
147.11700	38.7
154.12437	1.4
154.31671	1.4
161.09642	5.6
161.13246	17.6
165.07106	2.4
171.11696	31.0
178.07878	1.6
179.08514	2.6
189.09114	1.8
189.12737	8.2
189.64856	1.4
193.10162	1.7
196.08849	1.6
202.07742	2.3
205.06651	1.5
207.08099	1.6
207.12012	2.5
207.13817	11.8
209.09648	1.4
219.08096	2.3
220.08875	6.7
223.07616	1.5
225.09189	1.7
225.12950	1.9
235.11292	9.0
238.09888	8.2
239.07013	1.7
239.10583	4.3
248.08414	3.8
251.07062	1.8
251.10587	1.9
253.08736	1.7
253.12245	7.3
263.10791	17.1
263.16638	1.6
266.09387	5.9
281.08154	8.1
281.11731	30.6
281.17493	36.2
299.06189	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	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.8
55.01867	6.2
55.05267	2.4
55.05518	32.3
56.96555	5.2
57.03187	1.8
57.03444	28.1
57.07066	3.2
59.04988	1.8
65.03931	4.8
67.05511	82.8
69.03429	2.6
69.07078	17.4
69.70448	8.2
70.94711	1.4
71.04983	4.3
73.06570	2.5
77.03938	1.7
79.05502	100.0
81.03059	1.3
81.03435	16.5
81.07066	63.2
83.04988	37.6
83.08626	11.5
85.02901	2.6
85.06531	3.6
91.05486	79.0
93.07056	66.0
95.04977	31.1
95.08614	38.4
97.02884	3.0
97.06552	7.3
97.10161	4.8
98.97585	4.5
99.04445	1.7
103.05489	2.6
104.20831	1.4
105.07047	48.9
107.04967	8.7
107.08602	22.9
109.06522	9.6
109.10173	9.5
111.04395	2.2
111.05747	1.7
111.08100	3.4
115.05482	1.3
116.98640	2.2
117.07019	9.8
119.08598	30.6
121.02862	1.7
121.06478	4.5
121.10148	5.9
123.08079	9.8
123.11745	2.2
127.07506	2.6
128.06216	5.9
129.07016	21.2
131.08528	5.3
133.06499	2.9
133.10150	16.5
135.07997	2.4
135.11682	2.8
143.08580	9.2
145.10152	9.4
147.08057	3.4
147.11707	38.0
150.02734	1.7
153.06972	1.6
155.08435	1.8
159.11678	2.2
161.09631	6.2
161.13260	16.7
165.06952	2.1
169.45297	1.5
171.11713	31.0
189.12775	13.6
195.08083	3.0
205.06516	2.9
207.11861	3.2
207.13788	12.4
209.09724	2.0
211.07527	1.5
219.08073	3.4
220.08818	5.4
221.09593	1.5
224.08293	2.9
225.09204	2.3
225.12830	1.7
227.13953	1.4
235.11250	11.3
237.12682	2.0
238.09843	2.6
238.18022	4.0
239.07101	3.2
239.10687	2.8
248.08324	2.6
248.46594	1.7
253.12279	5.6
260.07840	2.2
263.10822	11.2
266.99969	1.9
281.08035	4.0
281.11655	24.0
281.15158	2.0
281.17508	36.7
281.22156	3.0
299.06155	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	281.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01873	0.7
55.05498	0.9
56.05033	3.4
56.96563	1.8
58.96352	0.3
64.53368	0.4
65.03922	0.8
67.05502	1.8
69.03411	1.0
69.07045	0.7
70.06583	0.8
71.30641	0.7
71.74610	0.4
73.02928	0.5
73.04760	0.4
79.05479	1.6
80.05014	1.0
81.03400	0.6
81.07063	2.5
82.02935	0.3
83.04966	0.6
84.04500	0.7
84.08125	1.1
85.02881	0.6
86.09719	0.8
91.05471	2.5
93.07042	1.1
94.06564	3.3
95.04940	1.2
95.08595	1.2
96.04501	2.1
97.02853	0.6
97.06516	0.4
98.06065	0.5
98.97591	1.9
103.05460	0.4
105.03374	2.7
105.07058	1.8
106.02908	0.4
106.06496	0.7
107.04919	0.6
107.08605	0.8
108.04474	2.2
108.08113	0.8
109.06498	0.7
110.02414	1.9
110.06063	2.1
110.97541	0.4
111.04436	0.6
111.08094	0.4
115.05485	0.6
116.98632	0.9
117.07009	1.2
119.04978	0.5
119.08588	1.7
120.04482	0.4
120.08070	1.6
121.02879	6.8
121.05278	0.7
121.06461	0.7
121.10141	0.5
122.03186	0.4
122.06035	23.9
123.04411	0.4
123.06770	0.6
123.08084	0.5
124.07538	0.6
128.98572	0.6
129.06987	0.7
129.10211	0.5
131.00093	0.5
131.08537	1.6
133.06508	0.8
133.10138	1.0
134.06030	3.2
135.09148	0.5
136.07570	5.5
138.07883	0.6
141.06993	0.4
143.08560	0.7
145.06450	1.1
146.09673	0.5
147.09169	0.9
148.07567	1.3
149.08391	4.4
149.09570	0.7
151.03967	0.6
153.01833	1.4
157.06537	0.5
157.10072	0.5
159.08067	1.5
160.11139	0.6
161.05963	0.9
161.09610	1.2
162.12833	0.6
163.11134	0.5
167.61142	0.4
172.11192	0.9
173.06097	0.6
174.09190	0.8
176.10706	0.7
177.05507	0.6
178.12251	1.6
179.03278	0.5
185.05818	0.5
187.07494	0.8
188.10719	3.3
189.09077	0.4
190.12257	4.3
192.04179	0.5
196.04318	0.4
200.10646	0.8
203.06964	0.6
205.04944	1.5
206.11748	3.8
208.13333	3.3
217.04985	1.1
218.11742	2.5
219.06544	1.3
220.09000	0.4
226.14423	1.0
235.06003	1.8
236.10420	0.7
236.12814	14.0
237.02838	1.2
248.08290	0.4
251.05513	1.6
251.09314	0.5
253.12201	0.5
263.05533	8.5
263.09186	1.8
263.17587	0.8
264.15952	100.0
265.16293	0.6
266.99896	0.4
281.06509	3.5
281.09595	0.6
281.15018	0.7
281.18600	21.4
299.06180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
53.98298	0.3
55.01876	0.5
55.05510	0.6
56.05039	2.5
56.96555	1.1
65.03938	0.3
67.05505	1.2
69.03442	0.7
69.07076	0.6
70.06592	0.5
71.05025	0.3
71.55621	0.4
74.06094	0.4
79.05493	2.3
80.05032	1.4
81.03432	0.7
81.07066	2.2
83.04967	0.3
84.04539	0.4
84.08153	0.5
85.06558	0.6
91.05486	2.8
93.05788	0.3
93.07038	1.3
94.06574	3.0
95.04970	1.2
95.08627	1.1
96.04488	1.9
98.06041	0.5
98.97595	0.9
105.03392	1.1
105.07060	1.7
106.06512	0.3
107.04979	0.8
107.08606	0.7
108.04505	3.2
108.08130	0.5
109.02888	0.5
109.06561	0.4
110.02412	1.6
110.06052	2.4
117.07030	0.6
119.08612	1.4
120.08127	2.4
121.02896	2.6
121.05285	0.6
121.06503	0.7
121.08432	0.5
121.10156	0.5
122.06051	23.9
123.06859	0.7
124.03953	0.6
124.07616	0.7
128.06236	0.3
128.98633	0.3
129.06996	0.6
131.04919	0.5
131.08604	1.4
133.06537	0.3
133.10179	1.8
134.06017	2.8
135.04424	0.9
136.07605	5.0
138.09119	0.3
141.07001	0.5
143.08546	0.4
145.06517	0.5
145.10147	0.5
146.09651	0.7
148.07584	1.2
149.08397	5.2
149.09555	0.5
150.05545	0.4
150.09082	0.4
151.03937	0.4
154.97939	0.9
159.08067	0.9
160.11255	0.6
161.09631	1.2
162.09131	0.4
167.07031	0.3
172.11201	0.7
172.98927	0.9
174.09219	0.8
175.07588	0.4
176.10707	0.6
178.12265	2.0
180.10223	0.8
181.04932	0.5
181.08582	0.3
183.13982	0.3
185.13252	0.3
187.07567	0.9
188.10699	4.0
189.09164	0.6
190.12297	3.2
191.07025	0.5
200.10704	0.8
206.11803	4.2
207.09988	0.4
208.13370	3.3
210.06763	0.4
215.00154	0.3
218.11795	3.0
221.20183	0.5
226.14339	1.8
235.11284	0.8
236.12852	13.1
238.09914	0.5
246.15065	0.4
248.08368	0.5
253.12329	0.6
263.10739	0.5
264.15982	100.0
265.16409	1.0
266.09348	0.8
281.12085	2.2
281.18634	19.2
299.06122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
54.57180	0.3
55.01896	0.4
55.05521	0.8
56.05043	3.0
56.96581	0.7
57.03464	0.3
66.70091	0.3
67.05218	0.2
67.05524	1.2
68.05042	0.3
69.07085	0.7
71.05007	0.3
71.55646	0.3
71.56011	0.3
79.05489	1.3
80.05024	1.4
81.07072	1.8
82.06603	0.3
83.05029	0.3
84.04534	0.4
85.02954	0.3
85.06561	0.7
91.05483	1.8
93.05836	0.5
93.07083	0.9
94.06580	3.3
95.04981	0.4
95.08636	1.1
96.04485	1.9
97.06565	0.4
98.06105	0.5
98.97617	0.5
105.07062	1.2
106.06595	0.6
107.04989	0.5
107.08640	0.5
108.04478	2.8
108.08165	0.6
109.02900	0.3
109.06544	0.9
109.10150	0.4
110.02387	1.5
110.06055	2.8
117.07042	0.5
119.08624	1.0
120.04445	0.3
120.08132	1.0
121.05268	0.8
121.06565	0.4
122.06039	24.6
123.06816	0.8
124.07656	0.4
131.08624	1.1
133.10146	1.6
134.06052	3.1
136.07599	5.2
136.08559	0.5
141.07027	0.3
143.08577	0.6
146.09674	0.6
148.07614	1.2
149.08383	5.0
149.09534	0.6
150.09164	0.7
151.03931	0.6
159.08080	0.9
160.11243	0.4
161.09668	0.9
162.12820	0.7
164.10759	0.4
172.11284	0.4
173.09645	0.3
174.09171	1.0
176.10745	0.4
178.12318	1.9
180.09238	0.3
181.08618	0.3
187.07565	0.7
188.10747	3.1
189.09081	0.4
190.07777	1.0
190.12315	3.6
191.08568	7.7
200.10782	1.0
206.11784	4.4
206.15356	0.6
207.08128	0.5
208.13353	3.2
218.11769	2.5
218.15343	0.4
219.08093	5.2
220.08952	0.7
226.14319	1.5
236.08752	1.3
236.12834	14.7
238.14340	0.6
251.10709	6.0
251.13303	0.5
264.15967	100.0
265.16342	1.4
281.11621	1.0
281.18613	17.5
282.14905	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	282.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48643	0.5
54.56962	0.4
56.64447	0.5
56.96568	11.5
63.82190	0.5
69.07076	0.5
69.65386	0.6
70.25950	1.9
71.95265	2.9
77.09664	0.6
81.84190	0.6
96.33652	0.5
98.97594	100.0
116.98634	69.3
119.01921	2.9
134.09720	0.6
134.99675	30.7
137.03026	0.6
138.11443	0.5
140.00206	0.8
153.00700	4.4
158.01283	1.4
165.57730	0.5
177.00960	3.2
179.00676	0.8
200.92227	0.6
216.98756	0.8
219.02017	9.5
220.02182	2.0
221.02054	0.5
234.99850	0.9
236.98735	3.9
238.09123	0.6
240.98581	3.6
258.99780	49.4
260.00067	1.0
277.00815	71.6
278.00986	0.9
282.01315	1.8
282.13242	0.6
282.22171	1.2
283.00116	1.6
295.01584	0.7
300.02374	2.2
300.06076	0.9
300.18863	0.5
301.01007	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	282.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96585	3.1
66.29995	0.6
69.99996	0.9
70.00392	1.8
70.06580	1.6
72.08138	1.2
84.04510	1.0
85.02912	1.3
86.09702	1.1
88.28014	0.6
97.02854	0.8
98.20688	0.7
98.97590	4.0
109.02908	0.8
116.98650	1.7
120.08083	2.4
121.02888	1.0
121.08437	1.6
124.03938	0.7
127.83305	0.7
128.98610	0.7
134.09676	1.6
136.06184	1.4
138.09149	2.4
140.00220	0.7
150.07767	32.0
152.06834	3.8
153.01552	1.1
154.08427	0.9
158.99707	0.9
170.04155	0.6
177.00731	0.8
188.42949	0.6
236.08955	27.4
236.11302	1.5
254.13852	0.7
264.08301	3.6
282.09491	100.0
282.22165	2.7
283.09717	2.1
283.12622	1.4
300.06271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51380	3.0
70.06593	0.5
77.52029	0.4
81.07066	0.4
91.89262	0.4
92.75306	0.4
98.20777	0.9
98.97569	0.4
121.02884	0.8
142.83949	0.4
146.03752	0.4
165.07048	0.7
165.70030	0.4
178.07802	1.4
179.08554	4.5
189.06972	1.2
190.07805	2.2
191.08582	5.7
193.10115	1.0
202.07832	1.2
203.08582	3.4
204.09326	1.4
205.06520	0.8
205.10155	2.5
206.07288	0.9
207.08073	6.7
215.08678	0.9
217.06529	1.9
218.07297	4.5
219.08076	9.6
220.08699	1.0
221.06017	3.6
221.09564	4.7
222.06760	0.9
222.10399	0.9
233.09659	4.5
234.08018	1.0
234.10423	27.6
235.07568	31.9
235.11148	1.0
236.08305	4.8
236.11566	0.8
237.09047	1.4
249.09120	2.6
250.09932	42.0
251.10300	0.7
254.12752	0.4
264.11111	1.6
265.12265	100.0
266.12628	2.0
282.12039	2.3
282.14935	3.6
304.63205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1491
Annotation	N-Methylasimilobine
Peak:m/z	Relative Intensity
51.79238	0.5
55.21144	0.6
56.96579	0.7
66.49592	0.5
67.05493	1.1
69.65915	2.1
69.66322	0.9
76.04007	0.5
76.76221	0.6
81.03373	0.5
81.07033	1.2
83.08646	0.6
93.07079	0.7
95.08599	1.0
96.04524	0.5
107.08578	0.8
110.06001	0.6
112.75590	0.6
121.02866	1.7
121.17993	0.5
122.06043	2.2
123.06399	1.8
128.86813	0.5
135.11719	0.6
165.06935	3.1
178.07854	0.6
179.08571	3.5
180.09354	2.0
181.06535	1.1
189.07059	3.1
190.07784	13.5
191.08569	100.0
192.09085	1.3
193.06516	0.6
193.10152	0.5
201.10890	0.6
203.08482	0.6
205.10147	3.0
207.08095	4.1
208.08856	7.1
218.07286	3.0
219.08072	80.7
220.08830	11.9
220.84628	0.5
222.06879	0.6
227.12692	0.7
229.07701	0.7
233.09677	1.4
236.08337	17.2
237.13190	1.9
251.10689	80.2
252.11023	1.5
264.15762	1.0
265.16299	19.5
282.14914	52.9
282.18741	3.2
283.15335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0692
Annotation	Niflumic acid
Peak:m/z	Relative Intensity
54.78935	18.4
65.17734	19.6
69.89120	100.0
69.89498	39.8
75.05649	18.4
78.70388	18.8
83.39091	19.1
97.16675	19.8
98.20831	34.8
134.27345	20.8
168.00555	27.5
170.38402	25.7
265.05881	25.0
283.06918	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21542	29.3
69.53277	27.5
71.18135	54.0
77.78568	23.0
83.28271	24.5
114.02175	28.5
162.32446	28.9
223.28445	26.2
265.05865	53.6
283.06848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
53.24524	0.3
55.01879	1.5
55.05518	1.7
56.96554	1.2
57.03445	2.2
57.07061	0.3
60.91410	0.3
61.02904	0.5
63.70555	0.3
65.03938	3.3
67.05508	1.9
69.03436	4.0
69.07072	1.7
71.04984	1.0
71.27776	0.5
71.28091	0.3
79.05495	3.0
81.03423	6.0
81.07064	2.4
83.01315	0.3
83.04971	2.1
83.08619	1.0
85.02905	5.7
85.06544	0.4
91.05478	1.7
93.07041	3.7
95.04980	7.5
95.08618	2.6
97.02895	2.1
97.06527	1.1
98.97591	0.4
99.04465	1.3
105.07047	0.8
107.04955	1.8
107.08604	2.3
109.02882	2.8
109.10135	0.6
111.04469	2.8
111.08107	0.3
117.07016	1.2
119.08595	0.9
121.02874	100.0
121.03880	3.0
121.10138	1.4
122.03183	0.6
123.08036	0.3
127.03934	0.8
129.06985	0.4
131.08559	0.6
133.10147	0.5
135.08102	0.5
135.11693	4.0
136.19614	0.3
139.03911	8.6
142.43323	0.4
143.08559	0.5
145.10109	2.4
147.08072	0.6
153.12805	1.5
155.08615	0.5
157.06477	0.3
163.03938	1.5
163.11188	5.0
165.07069	0.5
169.06631	0.3
173.09581	0.6
177.62398	0.4
181.10020	0.5
181.12267	1.1
183.08064	0.4
191.08678	0.5
191.10703	0.4
194.07304	0.6
195.08195	0.5
196.08884	0.4
197.06052	0.6
201.63396	0.5
209.09734	0.8
209.11610	0.4
211.11270	0.4
212.08446	0.3
213.09087	0.8
217.08667	0.9
225.09105	0.5
227.10686	0.4
227.12776	5.5
235.07610	0.5
235.09848	1.2
237.09105	0.8
237.12845	0.7
240.07849	0.4
241.08676	0.9
241.12308	0.4
250.09811	0.8
255.13766	0.7
258.65131	0.8
265.06854	1.9
265.11926	0.5
266.12680	0.9
269.12360	0.8
282.66315	0.4
283.09647	3.5
283.15594	7.2
283.20508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01871	1.4
55.05505	1.7
57.03229	0.3
57.03445	2.8
60.97330	0.3
61.02920	0.5
65.03950	3.2
67.05515	2.0
68.99811	0.3
69.03439	4.1
69.07067	0.9
70.25474	0.3
70.25813	1.1
71.01347	0.3
71.04977	0.9
79.05501	2.6
79.48188	0.3
81.03423	9.0
81.07064	3.0
83.01347	0.4
83.04988	1.5
83.08611	1.0
85.02917	5.4
91.05480	1.6
93.07062	3.6
95.04980	5.6
95.08614	1.5
97.02886	1.7
97.06547	0.9
99.04471	1.1
105.07043	1.2
105.79284	0.3
107.04959	1.0
107.08620	1.8
109.02879	2.9
109.10144	0.4
111.04456	2.8
115.46692	0.3
117.07050	1.0
119.08607	1.1
121.02879	100.0
121.10145	1.0
122.03208	0.6
123.08054	0.3
127.03947	1.1
131.08582	0.6
135.11700	2.7
139.03914	8.3
145.10162	1.9
149.09677	0.4
153.12769	1.0
163.11198	3.4
165.07109	0.3
173.09676	0.6
181.12260	1.0
189.35168	0.3
191.10728	0.4
192.08986	0.6
209.11810	0.7
219.08185	0.4
220.08481	0.6
227.10747	0.4
227.12785	3.9
237.09102	0.5
250.09866	0.6
252.11098	0.8
265.07089	4.1
265.12091	0.5
268.07224	0.4
283.06134	0.4
283.09674	2.8
283.12866	0.4
283.15570	3.0
283.20441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1331
Annotation	CHEBI:69248
Peak:m/z	Relative Intensity
55.01865	1.6
63.56678	0.9
67.05514	2.0
69.03409	3.4
69.07070	1.2
70.79552	2.6
79.05498	2.3
81.07059	2.4
83.01344	2.1
83.04976	1.3
83.08614	1.0
85.02905	1.5
91.05473	2.5
93.07029	3.0
95.04963	1.4
95.08595	1.3
95.65598	1.0
105.07001	1.3
111.04454	0.9
115.82744	0.8
119.08597	1.5
121.06491	2.5
121.10184	1.4
128.72385	0.9
131.08551	2.0
137.06039	1.2
141.58276	1.1
145.10141	1.1
147.08011	1.7
159.08046	1.7
163.11229	2.0
165.07010	2.6
166.07799	1.1
167.08626	1.1
171.08041	1.7
174.83928	1.1
179.08534	5.7
181.06490	1.8
181.10092	1.4
181.12204	1.1
185.09554	1.7
186.66579	1.0
189.06952	1.4
193.10094	1.8
194.07364	1.0
194.10870	2.6
195.08093	2.9
196.08862	2.8
196.34222	0.9
197.09665	1.5
199.07632	1.5
199.11209	1.1
203.08562	3.4
204.09311	3.5
205.10042	1.8
207.08075	9.0
208.08800	2.7
209.09621	3.8
211.07538	3.0
211.11354	1.5
212.08429	1.6
213.09248	1.4
213.69307	1.0
217.06506	1.0
218.07278	1.8
219.11693	4.2
219.27795	1.0
221.06018	1.1
221.09702	3.5
222.10435	17.8
223.07498	1.1
223.11081	2.6
224.08305	1.8
225.09209	5.7
226.09848	1.7
227.10670	2.1
227.12746	2.2
231.08154	2.4
232.08887	6.5
233.09572	4.2
234.06779	2.7
235.07552	15.9
236.08287	3.2
237.09070	4.0
237.12735	17.2
238.10167	1.0
238.12929	1.0
239.07059	5.9
239.10658	2.4
240.07751	3.2
240.11435	2.4
241.08615	2.8
247.11191	6.6
249.09061	6.7
250.09912	42.9
251.10745	8.2
253.08626	75.0
254.09422	20.7
255.10168	12.8
255.13800	4.2
263.10739	2.1
265.12259	71.2
266.12982	5.4
267.10007	3.6
268.10953	24.0
281.11755	17.1
283.09772	5.6
283.13263	100.0
284.13562	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	283.1332
Annotation	Juncunone
Peak:m/z	Relative Intensity
53.03998	0.4
55.01927	0.7
55.05580	2.1
56.96623	0.6
57.03513	1.5
58.56049	0.3
67.05583	1.3
69.03496	0.8
69.07135	0.6
70.45216	1.0
79.05585	1.3
81.03498	0.9
81.07147	1.1
83.05073	1.2
83.08688	0.8
91.05579	1.1
93.06588	0.5
93.07041	1.7
95.05025	0.7
95.08689	0.9
95.28094	0.3
97.02986	0.4
97.06593	0.5
98.21447	0.3
105.07124	1.4
107.05042	0.6
107.08711	1.2
109.06609	0.4
111.04562	0.6
111.08128	0.3
117.07111	0.8
119.08674	1.1
121.06532	3.3
121.10247	0.8
123.08172	0.4
128.06314	0.3
129.07047	0.4
135.11717	1.7
143.08653	0.4
145.06482	1.7
145.10202	1.4
147.08133	0.6
153.07007	0.7
153.12817	0.5
155.08588	0.6
157.06535	0.4
157.64285	0.4
158.07368	1.2
159.08125	1.0
163.11217	2.4
165.07104	1.3
167.08662	0.7
168.03481	0.3
168.05760	0.6
171.08087	6.1
172.08879	0.7
173.09724	1.2
178.07881	0.4
179.08664	1.0
180.09404	1.0
181.06499	0.4
181.12296	0.4
182.07234	0.5
183.08066	6.6
184.08936	1.4
185.09625	1.8
189.06866	0.3
190.07759	0.5
190.73315	0.3
191.08574	0.3
191.10551	0.3
193.10197	0.7
195.08118	1.0
195.11766	0.7
196.08966	1.0
197.06056	1.4
197.09656	1.8
198.10429	3.2
199.11317	0.5
205.10194	1.2
207.08128	1.1
208.08852	4.4
209.09761	0.4
209.11710	0.7
210.06844	0.4
211.07574	7.9
211.10948	1.4
212.08318	2.6
212.12012	0.6
213.09183	0.4
213.12772	5.5
214.13181	0.3
222.10315	0.5
223.11201	3.7
224.08311	0.5
225.09140	5.1
226.09924	2.6
227.12730	1.5
235.11102	0.3
237.12621	0.5
239.10739	2.7
240.11485	5.5
241.12256	100.0
242.12560	1.4
255.13933	0.4
265.12286	1.8
283.09705	1.8
283.13239	26.7
284.13638	0.5
297.14563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1332
Annotation	Juncunone
Peak:m/z	Relative Intensity
50.82013	0.4
53.03943	1.1
54.76897	0.4
54.93187	0.4
55.01868	1.0
55.05505	1.3
56.27975	0.5
57.03426	0.5
61.07331	0.5
62.72131	0.5
64.11597	0.5
67.05511	1.2
69.03435	6.7
69.07055	1.6
70.05743	1.5
70.06137	0.9
71.01288	0.5
79.05498	1.8
81.07056	2.0
83.01349	1.3
83.04979	1.7
87.59507	0.6
91.05479	3.6
93.07037	1.8
95.04985	1.1
95.73816	0.6
97.06510	0.9
105.07047	1.4
107.08562	1.4
109.06499	1.0
115.05463	1.5
117.07008	1.2
119.08584	1.1
121.06518	13.5
128.06235	0.6
129.07002	1.4
131.04924	0.7
131.08582	1.1
132.05690	0.7
133.06477	1.9
135.08086	5.7
137.05965	2.6
141.07042	1.3
143.08534	1.2
144.05724	1.1
145.06509	6.1
147.08064	10.2
149.05965	1.3
155.08569	0.6
157.06534	1.0
158.07281	3.1
159.08076	5.8
161.06003	4.3
163.07477	0.6
165.07019	2.1
166.07767	0.7
167.08559	2.1
169.06525	0.7
169.10239	0.7
170.07269	1.1
171.08073	9.3
172.08881	1.9
173.09645	1.7
174.06747	0.7
175.07541	3.0
178.07793	1.1
179.08574	6.0
180.09370	0.8
181.06477	1.8
181.10100	1.9
182.07224	1.3
183.08121	2.7
184.08859	1.3
185.05980	1.4
185.09634	5.4
187.07544	3.8
187.11230	1.9
189.07069	1.2
191.08546	0.8
193.10123	2.2
194.07350	1.2
194.10913	2.7
195.08076	4.3
196.08868	2.9
197.05997	0.9
197.09641	6.9
198.06747	0.5
198.10504	2.5
199.11203	2.5
200.08392	0.5
203.08539	2.2
204.09305	2.5
205.10091	0.6
207.08105	7.3
208.08846	5.4
209.09610	4.1
209.13277	2.1
210.06729	0.7
210.10342	0.8
211.07616	5.6
211.11214	3.1
212.08363	1.2
212.12022	3.5
213.09146	3.0
213.12769	4.0
218.06830	0.5
219.11751	4.1
220.08867	0.5
220.67398	0.6
221.09637	4.0
222.10419	19.3
223.07619	0.6
223.11143	4.2
224.08492	1.3
224.11862	0.6
225.09134	7.6
226.09882	3.8
227.10788	3.1
227.14340	9.5
231.08083	1.0
232.08864	4.7
233.09590	1.7
235.07533	5.4
235.11137	0.6
236.08321	1.5
237.09166	1.4
237.12761	22.6
238.09843	0.9
239.07257	0.8
239.10658	2.3
239.14391	1.5
240.11501	9.6
241.08636	1.8
241.12280	8.7
247.11237	5.1
248.11755	0.8
249.09084	2.9
250.09914	17.7
251.10747	3.5
252.07730	0.7
253.08621	9.2
253.12221	0.9
254.09389	5.4
255.10210	1.6
255.13826	35.0
265.12250	37.7
266.12775	1.2
267.10205	1.4
268.10977	16.5
283.13312	100.0
284.13638	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23407	0.7
51.41346	0.6
55.01863	1.4
55.05501	3.1
55.34306	0.7
57.03431	2.9
65.33433	0.7
67.05502	3.1
69.07058	1.6
70.85392	1.6
75.14700	0.8
79.05489	4.0
81.03426	1.3
81.07061	3.2
83.04974	1.5
83.08622	1.6
91.05472	1.6
93.07057	5.1
95.04973	1.9
95.08600	4.2
99.04465	0.7
101.77589	0.7
105.07039	1.1
107.04967	1.5
107.08611	4.0
111.04472	1.4
117.07058	1.6
119.08572	2.6
121.02891	2.4
121.10147	1.9
135.11691	7.0
137.65694	0.8
145.10135	4.7
149.09628	0.8
153.12688	1.2
163.11206	8.9
181.12276	2.5
187.46178	0.8
205.04552	0.7
209.11603	0.8
211.75681	0.7
226.23300	0.8
227.12814	10.0
227.14908	1.0
229.95073	0.7
233.11479	4.7
265.14227	0.9
269.12463	4.0
283.09958	2.8
283.15234	100.0
284.15585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.4
55.01621	3.5
55.01878	55.8
55.05261	4.5
55.05518	79.4
56.96572	15.2
57.03444	76.8
57.03675	1.3
57.03731	2.2
57.07082	5.4
59.05002	12.4
65.03947	5.5
67.05512	53.9
69.03430	9.0
69.07078	20.0
71.01371	4.9
71.04999	19.7
79.05500	80.6
79.11817	2.4
81.03426	54.7
81.07066	78.7
83.01355	47.8
83.04991	59.9
83.08628	47.3
85.02919	12.7
85.06535	4.3
91.05492	55.8
93.07056	94.6
95.04976	32.3
95.08617	31.7
95.26639	2.2
97.02900	13.5
97.06536	21.9
97.10175	4.3
98.97610	4.3
99.04481	10.7
103.05515	4.0
105.04551	2.9
105.07042	38.7
106.23364	2.4
107.04977	40.5
107.08612	49.7
109.06535	24.7
109.10168	8.2
110.57760	2.2
111.04461	17.1
111.08112	9.7
116.07013	2.2
116.98640	3.1
117.07032	27.9
119.08588	30.6
121.02862	3.6
121.06526	12.6
121.10155	26.1
123.08083	28.4
125.06026	5.0
125.09662	4.1
129.07033	7.2
130.07823	6.4
131.04890	3.3
131.08604	13.9
133.10155	7.1
135.08110	8.7
135.11707	53.9
137.09677	8.2
137.52409	2.1
139.07556	3.9
143.08624	5.3
145.06538	4.4
145.10138	58.5
146.38474	2.2
147.08087	8.4
149.05981	2.8
149.09654	5.9
153.12743	23.8
155.08595	5.3
163.11198	100.0
165.06961	2.5
171.06773	2.4
173.09587	13.0
181.10651	3.9
181.12236	22.9
183.08138	3.0
187.08125	2.9
191.10699	14.8
193.12296	5.2
203.05881	3.8
209.09863	3.1
209.11719	28.6
209.13336	2.9
211.07507	3.2
211.13289	3.3
216.17513	2.1
223.07697	2.7
225.05603	3.5
227.10805	4.9
227.12880	16.9
237.12802	2.6
239.07208	2.3
240.07983	3.2
241.12480	4.5
246.08784	2.4
250.10031	4.0
253.05188	3.3
255.09418	2.2
255.13786	3.4
265.12109	4.8
267.09216	14.0
267.12509	3.9
268.07199	2.9
283.06262	5.8
283.09741	30.7
283.15546	87.8
285.10129	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.4
55.01878	4.6
55.05518	13.3
55.59927	1.3
56.96570	1.5
57.03214	1.5
57.03446	13.1
57.07072	2.8
57.17460	1.1
60.47501	1.1
65.03977	1.6
67.05516	24.4
69.03439	2.0
69.07074	10.0
69.20251	4.8
69.20666	8.2
71.04996	5.1
76.74381	1.3
77.35601	1.2
79.05499	38.9
81.03423	4.5
81.07062	33.0
83.04984	8.5
83.08620	9.5
85.06555	1.5
85.10236	1.1
89.06033	1.2
91.05491	16.5
93.07056	49.8
93.13715	1.3
95.04981	11.3
95.08615	52.5
97.02886	4.3
97.06516	6.3
98.20778	2.8
98.97592	3.5
99.04449	5.4
103.05485	1.5
105.07045	11.1
107.04950	11.2
107.07874	2.1
107.08604	39.7
109.06522	3.3
109.10187	3.5
111.04466	5.5
111.08076	2.3
116.98614	1.3
117.07020	12.8
119.08585	12.5
120.98000	1.6
121.06554	8.2
121.10159	15.4
123.11771	1.7
125.05991	2.7
129.06972	1.2
130.07799	3.8
131.08595	8.7
133.10132	3.6
135.08063	3.5
135.10681	2.9
135.11711	57.8
139.07542	3.2
143.08583	2.0
145.10143	35.6
146.79019	1.2
153.12769	3.5
155.08528	1.8
163.11197	76.8
173.09657	3.9
173.13272	7.7
181.12257	16.8
187.11218	1.3
191.14397	2.9
209.09785	1.4
209.11708	4.4
209.13454	1.6
227.12796	100.0
228.13240	1.6
253.04944	1.5
253.08607	1.7
255.13994	1.4
265.12195	2.0
278.00952	2.1
283.06161	3.7
283.09677	10.1
283.13425	2.2
283.15582	20.7
283.20511	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	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01873	4.9
55.05516	12.9
57.03442	10.7
57.07072	1.7
65.03944	1.4
67.05511	21.4
69.03427	1.3
69.07077	8.4
69.23874	1.4
69.24280	6.8
71.04993	3.5
73.02930	1.6
79.05499	32.2
81.03426	3.6
81.07064	24.5
83.04993	6.3
83.08628	8.7
85.06533	1.3
91.05483	12.2
93.07053	42.8
95.04977	9.5
95.08614	41.4
97.02908	4.7
97.06555	5.8
97.10171	1.5
98.21559	2.0
98.97526	1.1
99.04486	3.8
105.07041	10.7
107.04974	11.9
107.08607	30.9
109.06490	4.6
109.10169	3.6
111.04466	3.0
111.08122	1.3
115.05455	1.0
117.07043	13.1
119.08591	12.6
119.92120	0.8
121.06518	8.1
121.10146	16.6
123.08035	1.3
125.06004	3.8
130.07784	2.1
131.08592	3.4
133.10139	3.8
135.08063	2.0
135.11702	53.2
136.29836	0.8
139.07581	1.5
143.08549	2.1
145.06529	1.4
145.10135	34.2
147.08035	1.6
147.11720	1.5
153.12772	2.2
163.11194	75.1
168.53139	0.9
173.09694	1.8
175.11153	1.1
181.12241	16.7
191.10657	1.4
209.11754	3.3
214.70329	1.0
225.05531	1.1
227.12790	100.0
240.07790	1.1
283.06174	2.6
283.09723	9.6
283.15298	25.1
283.20508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03991	1.8
55.01932	5.3
55.05570	11.9
57.03024	0.8
57.03497	14.2
57.07145	2.3
59.05043	0.8
64.57088	0.7
65.03997	0.9
67.05511	24.6
69.03490	2.4
69.07141	7.5
69.29152	6.4
71.05054	3.1
71.08686	0.9
73.02985	2.1
78.54639	0.7
79.05499	30.9
81.03506	3.3
81.06618	1.3
81.07063	24.5
83.01416	0.9
83.04991	7.1
83.08624	9.4
85.02921	0.7
85.06567	0.8
85.10265	0.8
89.06071	1.2
91.05490	14.9
92.15337	0.8
93.03494	0.7
93.07055	43.3
95.04974	9.7
95.08617	41.9
97.02891	6.0
97.06529	5.4
97.10227	1.2
98.21490	1.4
99.04469	4.3
103.05534	1.0
105.04646	0.8
105.07036	9.2
107.04972	13.7
107.08606	30.9
109.06579	3.6
109.10169	3.7
111.04456	4.4
111.08124	1.3
117.07040	11.2
119.06139	0.7
119.08595	13.8
119.09321	1.1
121.06532	7.5
121.10166	16.8
123.08195	1.0
125.06055	3.1
129.07106	2.6
130.07841	2.9
131.04962	0.9
131.08640	3.2
133.06523	1.4
133.10121	3.7
135.08141	3.4
135.11707	53.5
136.93201	1.3
139.07585	1.8
141.07047	0.7
143.08649	2.3
144.09421	0.9
145.06627	0.8
145.10135	34.0
147.08096	1.1
149.09679	1.1
153.12820	1.9
154.94196	1.8
155.08623	1.9
163.11200	72.2
172.95313	2.0
173.09680	3.1
181.12236	16.3
181.13696	1.3
190.96329	1.5
191.10774	3.3
209.11661	4.9
225.05576	0.9
227.12796	100.0
228.13176	1.8
228.97948	1.1
240.07855	1.5
241.12212	1.0
246.98981	2.3
255.15952	1.7
265.19595	1.1
268.07333	1.2
283.06018	2.8
283.09549	11.0
283.15375	28.6
283.20453	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01874	6.1
55.05511	11.6
57.03439	10.7
57.07072	1.3
61.38498	1.0
64.09652	1.0
67.05164	1.6
67.05506	18.5
69.07064	8.3
70.70226	2.3
71.04977	3.3
72.06416	1.2
73.02898	1.0
79.05494	27.8
81.03407	3.3
81.07063	19.0
83.04979	4.5
83.08615	7.8
85.02879	1.2
91.05478	9.1
93.07050	36.7
95.04976	8.1
95.08611	40.9
97.02900	5.9
97.06521	4.1
97.10179	1.3
99.04450	3.3
99.98620	0.9
105.07039	9.3
107.04954	13.1
107.08601	30.8
109.06505	2.6
109.10148	1.9
111.04465	3.5
115.05473	1.2
117.07018	11.6
119.08569	10.5
121.06495	5.7
121.10158	13.7
125.05997	4.0
127.36382	0.9
129.06985	1.3
130.07860	2.0
131.08589	1.4
133.10129	1.5
135.08043	2.2
135.11697	49.3
139.07549	2.9
139.11253	1.4
143.08559	1.8
145.06413	1.3
145.10124	30.7
153.12781	1.7
160.19368	1.2
163.11188	73.1
173.09685	1.8
181.12254	15.3
191.10559	1.3
209.11792	2.8
227.12784	100.0
228.13130	1.2
255.16075	1.4
283.09906	1.7
283.15417	22.3
283.20264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11661	1.2
53.03941	2.4
55.01871	5.8
55.05518	13.2
57.03445	12.9
57.07070	2.5
65.03954	2.6
65.78403	1.4
67.05512	20.6
69.03436	1.9
69.07072	10.5
69.30685	2.7
69.31092	10.7
71.05001	3.9
73.26928	1.2
75.95231	1.3
79.05503	30.0
81.03425	3.0
81.07068	23.6
83.04980	5.8
83.08636	10.2
89.06035	3.3
91.05486	12.0
93.07054	43.0
95.04964	8.9
95.08618	41.1
97.02890	4.6
97.06554	4.9
98.20664	2.5
99.04467	2.1
103.05461	1.6
105.07036	10.7
107.04980	10.7
107.08603	29.5
109.06551	3.0
109.10185	1.9
111.04449	2.6
111.08109	1.6
113.06004	1.9
117.07026	12.5
119.08582	13.3
121.06528	8.4
121.10161	15.8
123.08044	1.8
125.06018	3.9
130.07820	2.8
131.08592	3.4
133.10150	4.7
135.08075	2.8
135.11708	50.5
139.07564	2.2
145.10136	29.8
153.12790	1.5
163.11203	72.9
173.09692	3.3
181.12267	14.7
191.10719	2.0
205.04965	1.6
209.11728	2.6
225.05377	2.5
227.12793	100.0
251.06963	2.1
253.05067	1.8
283.06079	6.1
283.09680	14.8
283.15353	22.9
283.28519	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89848	1.8
53.03936	3.6
55.01862	5.4
55.05519	12.3
56.82202	1.4
57.03442	11.7
57.07071	3.7
67.05509	18.4
69.03414	1.7
69.07084	10.7
71.04987	2.1
71.08643	2.3
71.11277	1.8
71.55384	1.4
71.55778	2.8
72.54892	1.6
73.02904	1.4
79.05502	31.4
81.03416	3.8
81.07065	22.8
83.01386	1.5
83.04979	4.2
83.08624	9.2
89.06033	4.9
91.05479	11.4
93.07056	44.7
95.04985	9.7
95.08623	41.6
95.98354	1.4
97.02889	4.7
97.06548	4.4
99.04454	5.4
105.07030	9.5
107.04961	11.7
107.08604	28.4
109.06506	2.5
109.10184	3.4
111.04484	3.1
117.07055	9.6
119.08585	12.2
121.06541	7.9
121.10135	17.8
125.06007	2.5
130.07816	1.6
133.08612	1.5
133.10103	2.0
135.08070	3.6
135.11703	44.9
139.07590	2.1
145.10135	33.2
163.11197	71.4
173.09613	2.2
174.32834	1.5
181.12253	15.8
209.11649	2.0
215.66695	1.8
223.19057	1.5
225.05524	1.9
227.12804	100.0
283.06085	7.2
283.09714	11.6
283.15500	19.3
283.22406	2.5
283.26303	4.1
284.29422	2.0
288.63123	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	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01879	9.7
55.05517	19.4
57.03439	19.4
57.07078	2.4
65.03954	2.3
67.05506	28.1
69.03451	2.4
69.07074	11.8
70.12762	6.9
70.13094	1.7
71.04978	4.7
73.02924	2.6
79.05060	3.0
79.05495	34.0
81.03427	8.2
81.07058	29.3
83.01333	4.5
83.04986	11.7
83.08617	12.1
85.02916	2.2
89.06047	2.2
91.05490	17.7
93.07048	47.7
95.04962	11.3
95.08609	42.6
97.02908	8.1
97.06550	8.5
99.04447	6.8
99.36641	1.8
105.07029	15.6
107.04968	17.7
107.08601	33.7
109.06536	4.3
109.10165	6.1
111.04447	5.4
111.08105	2.5
113.05244	1.6
117.07029	13.4
119.08583	13.6
121.06522	10.0
121.10149	18.0
123.08092	2.5
125.05981	4.5
129.07011	3.1
130.07803	3.8
131.08556	4.8
133.10109	4.3
135.08113	3.7
135.11705	49.1
135.29829	1.8
137.09650	1.8
139.07516	2.3
145.10143	40.7
146.53758	1.6
153.12733	5.6
155.08514	2.8
163.11194	78.2
173.09586	5.3
181.12248	20.6
191.10693	5.3
209.11685	8.8
227.12788	100.0
230.99640	1.6
236.56847	1.7
283.06161	5.0
283.09680	13.0
283.15414	46.0
283.20419	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	283.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76969	2.0
53.03937	8.7
55.01627	2.1
55.01880	33.2
55.05519	58.4
57.03445	54.4
57.07069	5.2
59.04993	8.8
65.03925	3.6
65.28958	2.3
67.05181	3.2
67.05515	46.1
69.03429	2.1
69.07082	18.3
70.20615	8.4
71.01369	2.5
71.05001	13.8
71.08624	2.8
73.02924	2.6
79.05504	71.2
81.03431	27.8
81.07068	61.6
83.01354	26.8
83.04548	3.6
83.04990	40.3
83.08630	34.6
85.02910	11.7
85.06544	4.6
89.06056	11.9
91.05489	51.9
93.07061	92.1
95.04983	24.5
95.08068	2.9
95.08624	47.3
97.02911	11.7
97.06540	14.2
97.10184	3.5
99.04453	11.2
103.05489	2.6
105.04519	3.3
105.07050	34.4
107.04967	26.1
107.08610	47.6
109.06504	18.2
109.10176	9.5
109.69119	2.1
111.04467	14.3
111.08050	6.2
113.05992	2.2
117.07026	26.1
119.08602	24.8
121.06536	11.8
121.10161	28.9
123.08076	20.5
123.11723	2.7
125.05981	7.2
125.09606	5.1
128.06265	2.6
129.04994	2.4
129.07068	4.1
130.07765	5.8
131.08597	13.1
133.08601	6.7
133.10139	9.7
135.08014	8.2
135.11707	62.9
137.09631	3.7
139.07585	3.0
143.08586	6.2
145.06454	3.6
145.09056	3.0
145.10150	59.6
147.08014	5.1
147.11679	2.9
149.09641	4.9
153.12788	14.5
155.08533	6.2
163.11209	100.0
173.09636	12.1
179.03592	1.9
181.12263	25.2
191.10687	8.2
209.11720	23.1
209.13394	2.8
225.05460	2.9
227.10567	5.2
227.12801	71.9
240.07840	3.7
253.04929	3.6
268.07184	2.2
283.06003	7.2
283.09619	19.5
283.15408	89.7
283.20462	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01879	6.8
55.05516	15.7
57.03449	12.4
57.07093	2.4
65.03954	2.3
65.97948	1.0
66.90591	1.1
67.05169	1.8
67.05508	23.0
69.03421	2.2
69.06034	1.2
69.07071	9.4
69.34459	2.1
69.34864	8.2
71.04984	3.9
71.08633	1.2
73.02908	1.6
79.05499	39.0
81.03423	4.7
81.07064	25.3
83.04991	8.6
83.08614	7.1
85.06534	2.1
91.05491	16.1
93.07050	49.6
95.04983	10.1
95.08614	45.9
95.09237	1.8
97.02876	5.1
97.06541	6.1
97.10168	1.8
98.97592	1.4
99.04459	6.0
103.05436	1.1
105.04551	1.1
105.07036	13.5
107.04372	1.4
107.04977	12.5
107.08603	38.0
109.06552	1.5
109.10168	5.1
111.04429	4.5
111.08084	3.2
115.05459	1.1
117.07024	13.5
119.08579	14.9
121.06519	8.9
121.10160	22.7
124.88583	1.1
125.05962	4.0
126.87861	1.2
129.07034	1.5
129.25746	1.1
130.07820	2.8
131.08615	1.8
133.10136	5.8
135.08078	3.8
135.11702	59.0
139.07541	2.2
143.08542	2.5
145.06476	1.4
145.10143	33.1
147.08029	1.3
147.11658	3.7
149.09645	2.0
152.11876	1.1
153.12776	3.8
155.08635	2.0
163.11198	79.3
173.09601	3.8
175.11176	1.4
181.12228	20.6
187.80544	1.1
191.10687	3.1
197.05843	1.3
209.11729	4.1
225.05470	1.3
227.12802	100.0
240.07692	1.9
274.58463	1.3
283.06345	2.3
283.09650	7.3
283.15219	25.0
283.20551	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	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
55.01883	6.4
55.02108	1.3
55.05521	15.4
57.03446	14.8
57.07081	2.4
60.24147	1.1
65.03939	1.9
67.05514	21.5
69.03443	2.6
69.07082	10.8
71.05000	3.8
71.08623	1.2
73.02918	2.0
79.05061	2.1
79.05504	34.3
81.03420	4.1
81.07073	24.8
83.04987	6.5
83.08644	9.1
85.02894	2.0
89.06045	1.9
90.48565	1.4
91.05489	13.8
93.07060	46.2
95.04989	9.6
95.08623	39.2
97.02905	5.2
97.06530	7.3
99.04452	5.9
105.07043	11.2
107.04978	13.1
107.08611	29.6
109.06552	2.7
109.10168	4.6
111.04449	3.6
111.08083	2.7
113.06042	1.4
113.09634	1.2
117.07057	12.7
119.08607	13.3
120.78664	1.2
121.06510	7.0
121.10152	17.7
125.06030	3.8
130.07797	1.8
131.08586	2.4
133.10178	3.5
135.08052	3.3
135.11711	46.7
136.93111	2.9
139.07613	2.0
143.08655	1.6
145.06485	1.6
145.10149	29.5
145.45499	1.3
147.08121	1.1
153.12778	2.2
154.94199	3.2
155.08655	1.4
163.11205	72.8
172.95256	3.3
173.09634	2.7
181.12250	16.7
190.96358	2.1
191.10689	2.9
209.11751	4.5
225.05507	1.3
227.12814	100.0
228.97966	3.9
246.98897	2.8
255.16026	4.3
283.06320	2.1
283.09711	5.3
283.15436	31.0
283.20377	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	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03959	2.8
55.01879	4.8
55.05512	11.1
56.96545	1.4
57.03444	10.2
57.07051	1.4
65.03937	3.6
65.48891	0.6
67.05514	17.3
68.67252	0.6
68.99763	0.9
69.03443	5.9
69.07081	6.3
70.51150	2.0
71.05009	3.2
72.93769	0.6
73.02917	1.0
73.36597	0.8
77.03930	0.9
79.05504	26.4
80.54421	0.5
81.02998	0.6
81.03431	8.8
81.07068	17.9
81.82008	0.7
83.01319	0.7
83.04987	5.8
83.08619	6.5
85.02507	0.5
85.02913	5.3
91.05482	10.2
93.07058	33.3
95.04977	13.3
95.08617	32.3
97.02914	5.6
97.06537	4.9
97.10159	0.7
98.97620	0.8
99.04472	4.5
103.05471	2.9
104.05778	1.0
105.07041	7.9
105.99986	0.7
107.04294	0.8
107.04972	11.5
107.08607	22.5
108.05286	0.7
109.02892	3.2
109.06535	2.1
109.10188	3.0
111.04459	4.2
111.08076	1.2
115.05492	0.9
117.07041	10.3
118.77277	0.6
119.08591	8.7
121.02882	100.0
121.06512	5.7
121.10143	11.4
125.06030	2.7
127.03929	1.3
127.07568	0.7
128.06256	0.8
129.07031	1.1
130.07852	2.0
131.04947	1.1
131.08598	1.8
133.10147	2.1
134.09781	0.8
135.08073	2.4
135.11710	39.7
139.03926	8.0
139.07550	1.8
143.08615	1.4
145.06580	0.8
145.10138	23.6
147.08063	1.0
153.12814	2.2
155.08582	1.6
159.11732	0.6
163.11206	51.7
165.07056	1.2
167.08495	0.6
173.05974	0.8
173.09680	1.5
179.08607	0.8
181.06636	0.8
181.12248	13.0
183.08078	0.6
188.85698	0.7
191.10770	0.9
195.08220	1.1
195.11807	0.8
197.06067	1.5
209.09770	1.3
209.11819	2.1
211.07626	1.2
212.08246	0.9
213.05363	0.7
213.09183	1.6
213.12997	0.7
220.08562	0.6
222.10417	1.2
225.05562	1.4
225.09314	1.2
227.12798	73.8
228.13228	1.0
235.07588	0.8
235.11002	2.1
236.08145	1.8
237.09219	2.2
237.12915	1.1
239.10811	0.7
241.08900	1.8
241.12321	1.1
250.10028	0.9
251.10434	1.3
251.12743	1.2
254.09480	1.7
255.10150	0.6
265.07486	2.1
265.12476	2.8
266.12534	3.5
283.06427	5.6
283.09888	11.2
283.15637	24.1
283.20685	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	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01878	8.7
55.05258	1.4
55.05516	15.7
57.03183	1.3
57.03440	15.5
59.05006	1.6
64.20024	1.1
65.03929	2.2
67.05510	20.5
69.03429	2.4
69.07083	8.5
70.06587	1.7
70.99145	2.8
71.04989	4.1
73.02912	2.3
75.93403	0.9
79.05496	35.5
81.03424	7.8
81.07060	22.4
82.83885	1.0
83.01320	1.4
83.04988	9.0
83.08608	11.2
83.99084	1.0
85.02903	2.5
91.05493	13.5
93.07050	44.5
94.53135	1.0
95.04967	12.3
95.08617	43.4
97.02909	5.1
97.06551	6.4
99.04459	4.5
105.07028	10.3
107.04964	14.7
107.08603	30.9
109.02871	2.1
109.06526	3.1
109.10166	4.1
111.04449	5.4
111.08068	1.8
113.06023	1.2
117.07001	10.3
119.08590	13.3
121.02879	29.6
121.06514	8.6
121.10145	16.2
123.08047	2.0
125.05989	3.7
129.07030	1.7
130.07800	3.2
131.08583	2.3
133.10112	3.0
135.08081	2.9
135.11700	56.0
136.51738	1.0
137.09543	1.2
139.03923	2.1
139.07547	2.0
143.08566	2.0
145.06555	1.3
145.10135	34.2
147.08034	1.6
147.11781	1.1
149.09596	1.4
149.23915	1.0
153.06947	1.0
153.12698	5.2
163.11197	76.2
173.09624	3.6
181.12256	19.9
191.10637	1.9
202.27238	1.1
209.11720	3.4
220.08606	1.5
223.07683	1.6
227.12791	100.0
229.07468	1.1
237.09123	1.3
249.66861	1.1
251.07216	1.9
268.07516	1.1
283.06281	1.7
283.09662	11.8
283.12943	2.6
283.15503	23.9
283.20139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74751	1.3
53.03948	4.5
54.25183	1.2
55.01876	10.8
55.05516	18.6
56.96560	1.4
57.03447	18.1
57.07072	2.1
59.04996	2.9
65.03948	2.8
67.05510	23.1
69.03424	2.4
69.07075	10.2
70.06599	2.0
71.04991	5.3
71.24966	2.8
79.05497	36.5
81.03423	13.6
81.07059	25.2
83.01339	4.7
83.04986	16.6
83.08620	11.0
85.02911	5.7
91.05502	15.2
93.07056	46.2
95.04975	9.3
95.08615	42.8
97.02893	5.7
97.06530	9.7
99.04462	5.3
105.07040	8.7
107.04961	16.0
107.08610	29.7
109.02903	2.2
109.06529	4.9
109.10151	4.2
111.04475	6.8
111.08121	2.6
117.07026	12.5
119.08598	12.1
121.02879	48.8
121.06538	6.8
121.10155	14.6
123.08082	4.5
125.05994	4.9
129.07019	1.7
130.07780	1.9
131.08574	3.8
133.10127	4.2
135.08057	1.8
135.11697	50.7
135.12718	2.8
139.03905	3.4
143.08569	2.6
145.10126	35.3
147.08052	3.1
153.12775	8.8
155.08586	1.7
155.35579	1.3
163.11198	71.2
165.07118	1.8
169.06494	1.6
171.08076	1.5
173.09654	4.5
181.12224	21.4
191.10698	4.2
192.08813	1.8
195.08145	1.7
209.09889	1.9
209.11798	3.5
216.32646	1.3
223.07487	2.0
227.12799	100.0
237.02837	1.5
237.08992	1.3
237.12857	1.3
240.07837	2.1
241.09778	3.2
251.07127	1.8
252.11055	2.3
265.12134	3.0
283.06299	2.4
283.09869	9.4
283.12515	1.7
283.15552	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
51.21554	2.3
53.03957	3.3
55.01868	2.6
55.05516	9.3
57.03432	2.6
57.07066	2.0
67.05502	11.8
68.88696	1.7
69.03411	6.6
69.07085	9.0
70.17978	1.8
70.21158	7.7
71.04988	4.3
75.41213	1.8
78.42332	2.0
79.05499	12.6
81.07056	27.7
83.01334	3.6
83.05004	4.3
83.08630	4.7
87.18224	1.8
89.06020	1.9
91.05489	17.2
93.07058	25.0
95.04973	11.1
95.08620	17.7
97.06525	4.4
97.50539	2.1
98.21407	3.3
99.00790	2.0
105.07036	35.8
107.04995	3.2
107.08605	22.5
107.31803	1.9
109.06525	10.6
109.10171	11.7
111.08070	3.3
117.07017	8.4
119.08592	35.1
121.06509	8.8
121.10151	50.7
123.08064	4.7
123.11709	5.2
128.06229	4.5
129.07010	6.3
130.07748	2.4
131.08583	26.8
133.10141	21.0
135.08067	10.7
135.11711	10.1
142.07794	4.6
143.08614	16.6
144.09352	3.5
145.06473	2.8
145.10129	27.7
146.07228	2.4
147.08069	6.0
147.11668	8.1
149.09627	3.0
149.13338	2.0
153.12683	2.9
155.08525	6.0
156.09367	4.2
157.10175	18.7
158.07291	3.4
158.10925	5.4
159.08031	8.0
159.11719	13.2
161.09656	21.9
161.13240	5.2
163.11211	6.8
165.06979	4.8
167.08548	3.8
169.10114	4.7
169.11392	2.2
170.10901	2.3
171.11719	15.1
173.09692	5.3
173.13275	49.5
173.14690	3.5
175.11148	5.7
175.14803	9.0
179.08549	7.4
180.09259	4.1
181.10106	7.4
181.12262	2.4
183.11650	11.0
185.09558	4.1
185.13309	14.0
187.11131	2.0
187.14813	4.8
189.12680	2.5
193.10112	4.5
194.10916	6.0
195.11679	10.1
196.12544	2.1
197.05978	2.3
197.09613	1.9
197.13219	6.0
197.52608	2.0
198.10382	2.5
199.11205	3.5
199.14774	6.7
201.12741	3.2
201.16318	2.7
207.08095	2.4
207.11700	2.8
208.12494	2.9
209.13295	16.6
211.07559	2.2
213.12836	7.8
213.16443	3.9
219.11606	2.2
222.10368	7.9
223.14813	8.5
225.09062	2.6
225.16411	5.8
226.09750	2.2
227.14316	6.3
232.08797	2.8
235.07393	6.3
237.12773	9.2
237.16197	2.4
239.06990	1.9
240.11226	2.3
241.16029	2.4
247.11040	2.2
249.09108	2.2
250.09912	18.3
250.17012	2.2
253.08627	27.3
254.09384	7.5
255.10159	6.8
255.13771	4.0
255.21098	6.7
265.12234	27.0
265.19540	26.6
266.12869	3.3
268.10944	11.1
281.11694	6.7
283.09729	8.2
283.13254	53.1
283.20563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2059
Annotation	all-trans-Dehydroretinal
Peak:m/z	Relative Intensity
53.03942	2.5
55.01855	3.5
55.05510	13.1
56.96527	1.5
57.03424	4.9
57.07063	4.0
62.00027	1.6
62.72788	1.5
65.03933	2.0
66.66085	1.8
67.05510	26.3
69.03422	7.7
69.07069	14.9
69.09232	1.7
69.17988	16.5
71.05001	9.7
74.70061	1.7
79.05499	26.6
81.03410	2.2
81.07058	31.6
83.05006	8.4
83.08601	5.4
85.06514	1.9
89.06007	1.7
91.04966	2.5
91.05486	25.6
93.07053	33.0
95.04986	12.8
95.08056	2.6
95.08612	24.2
97.06521	6.8
98.97556	2.6
99.04436	2.2
103.05469	3.1
104.15359	1.6
105.07040	51.7
107.04950	4.3
107.08607	29.8
109.06517	9.3
109.10165	18.3
111.04459	4.2
111.08075	3.5
115.05436	3.7
117.07014	15.5
119.08587	32.0
121.06503	10.8
121.10152	100.0
123.08041	9.8
123.11689	6.1
125.09624	2.5
128.06216	4.8
129.07010	6.1
130.07771	4.0
131.08589	31.6
133.06509	2.0
133.07552	2.8
133.10147	25.5
135.08063	10.7
135.11751	13.5
137.09586	1.7
140.13441	1.7
141.06995	3.0
142.07774	4.7
143.08554	15.8
144.09320	2.9
145.06526	2.9
145.10132	40.3
146.07309	3.3
147.08051	4.8
147.11705	9.9
149.09593	3.5
149.13235	2.5
153.12732	6.0
155.08540	4.5
156.09363	6.0
157.10139	15.3
158.10887	6.1
159.08049	5.0
159.11748	13.1
161.05942	1.7
161.09648	19.9
161.13295	4.2
163.11220	13.7
163.14848	2.0
165.07056	2.2
167.08575	4.1
169.10124	6.8
171.08055	2.7
171.11705	13.7
173.09662	3.9
173.13275	48.9
175.11211	2.8
175.14847	5.7
179.08578	4.3
180.09302	2.0
181.10182	7.3
181.12209	4.1
183.11705	5.7
185.09634	2.5
185.13306	9.5
187.11237	2.8
187.14850	8.2
189.12799	2.9
191.10745	2.7
191.14331	1.8
193.10162	3.0
194.10936	4.9
195.06128	1.7
195.08069	3.3
195.11641	9.0
197.13283	4.1
199.11224	3.6
199.14804	4.7
201.12776	3.5
201.16486	3.0
203.08745	1.9
207.11784	1.7
208.12469	1.9
209.13383	11.0
211.07533	2.0
211.14839	2.7
213.12735	3.4
213.16388	3.4
222.10374	2.5
223.14839	6.8
225.05414	3.1
225.16449	4.1
226.10052	1.9
227.10770	2.0
227.12657	4.5
227.14403	4.7
237.12689	2.4
240.07724	1.9
241.16068	2.2
250.09926	5.2
253.08603	7.5
254.09340	2.4
255.10085	2.4
255.13750	1.9
255.21103	7.5
265.12207	6.9
265.19550	20.2
268.07300	2.8
268.10941	3.5
283.06354	3.6
283.09622	15.7
283.13232	20.8
283.15472	4.4
283.20551	86.9
304.90833	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	284.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26516	1.3
53.03958	6.9
55.01884	7.7
57.03455	7.1
60.04525	1.5
61.02939	7.2
68.99796	2.8
69.03084	2.0
69.03437	38.2
69.30296	1.4
69.41381	7.0
69.41783	3.4
71.01353	1.5
71.04987	6.5
71.39468	1.4
73.02931	13.5
81.03427	33.2
85.02914	100.0
87.00838	41.0
87.04466	1.6
91.03957	2.2
97.02284	3.0
97.02904	54.2
99.04461	17.5
99.26564	1.4
105.01884	55.4
108.04497	8.5
109.02896	30.5
117.01845	4.2
126.05505	4.5
127.03933	86.5
129.01874	2.9
144.06610	1.4
145.04977	75.5
147.02892	3.4
159.01686	2.4
159.02907	27.1
177.03903	2.7
189.03906	1.6
213.04002	1.9
230.06535	2.7
231.05025	24.8
248.07697	5.3
249.06004	5.7
250.50919	1.5
257.89789	1.5
271.32202	1.5
284.10037	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.71312	0.2
51.32268	0.2
52.39541	0.2
55.01853	0.2
56.96560	1.0
57.03433	0.3
70.06590	0.6
70.47881	0.4
70.48232	0.5
73.02927	0.3
85.02901	0.4
91.95409	0.2
97.02886	0.2
98.97586	0.6
100.45890	0.2
101.00827	0.2
109.05167	0.4
110.03524	2.8
124.03976	1.7
128.04559	0.6
131.01938	0.4
134.04628	0.4
135.02046	0.4
135.03040	6.7
140.00241	0.5
142.01784	0.6
143.02121	0.4
143.69173	0.2
152.05687	100.0
153.04109	4.7
153.06041	0.6
158.01366	0.3
160.02765	0.3
242.42625	0.3
261.03067	1.4
284.07455	0.3
302.07391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0761
Annotation	Acacetin
Peak:m/z	Relative Intensity
52.87150	0.3
54.13340	0.2
54.50547	0.3
55.05472	0.3
56.00843	0.3
57.03408	0.5
67.05437	1.0
67.05761	0.3
68.15540	0.2
69.07055	0.3
70.24486	0.3
70.94762	0.6
79.05449	0.5
81.03425	1.3
81.07073	1.2
83.08572	0.5
85.02850	0.9
85.93013	0.2
91.05419	0.7
93.06998	0.5
95.04912	0.5
95.08532	0.8
105.06998	0.4
118.04132	0.9
119.04922	0.6
119.08546	0.5
121.02821	1.2
121.10062	0.3
122.68024	0.2
124.01591	1.8
129.06920	0.4
145.02815	0.3
150.76518	0.3
152.01073	2.6
153.01848	2.1
156.00020	0.3
166.03342	0.3
167.03491	0.5
170.02071	0.8
178.46712	0.2
193.12183	0.7
211.13330	0.5
242.05760	12.7
253.05000	1.4
269.04486	10.9
270.05264	49.7
271.05630	0.8
285.07614	100.0
286.07941	1.6
288.17813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	63.7
69.14843	1.1
69.65041	1.0
70.06612	6.4
71.95207	1.2
72.08154	2.2
72.96024	5.6
74.97582	1.5
82.06589	1.2
84.04484	1.9
84.08128	3.4
84.96009	2.2
85.02876	1.9
86.40684	1.3
91.05476	2.6
93.92863	1.1
96.04491	1.8
97.02885	2.1
98.97584	5.1
106.06580	1.7
112.07634	1.7
116.98604	2.0
121.99153	13.7
124.00731	2.6
124.03956	12.8
125.04301	5.8
126.02280	3.2
136.06143	3.2
140.00197	79.7
142.01743	2.1
144.03293	2.8
146.04849	2.2
151.03870	4.0
152.05667	1.2
156.03238	2.7
158.01266	80.4
158.04912	3.8
160.02765	1.9
167.99722	4.7
174.04366	3.2
176.02324	18.1
176.05934	2.8
181.02846	1.3
186.00745	33.1
192.05431	10.9
197.06020	1.6
200.05902	1.7
204.01807	46.8
210.04765	1.6
210.06520	9.3
222.02872	9.9
239.07051	1.8
240.05421	4.2
241.08678	2.1
246.06537	1.4
253.05098	1.7
257.08127	22.4
258.06512	30.6
267.06854	1.7
267.10297	1.9
270.05084	2.4
275.09125	11.5
276.07504	9.8
285.07635	43.3
285.11057	3.1
286.06000	15.8
303.08649	100.0
304.06894	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	285.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20162	13.6
53.69087	12.9
70.31936	45.0
73.16119	11.7
124.03989	100.0
144.05057	14.3
168.00665	14.9
186.55017	13.8
243.39220	13.6
285.08395	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	285.1489
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
51.30492	0.9
53.03941	1.5
55.01861	2.4
55.05513	5.3
56.96555	2.4
57.03445	10.8
62.64837	0.8
63.72922	1.1
63.84806	0.9
67.05513	8.8
69.03419	1.9
69.07079	10.6
71.04993	2.0
71.55463	1.3
79.05502	12.6
81.03434	17.0
81.07063	12.4
83.04970	4.2
83.08615	7.2
85.02917	15.7
85.06547	1.1
91.05481	14.5
93.07034	6.8
95.04980	9.0
95.08625	4.4
97.02879	1.1
97.06541	23.7
97.10153	1.5
98.98459	1.4
105.07030	9.0
107.04987	1.3
107.08601	5.1
107.09193	1.1
109.06510	1.8
109.10202	1.3
111.04453	1.1
111.08076	3.5
113.05968	1.9
115.05504	2.4
116.06292	1.0
117.07011	3.1
119.08612	7.8
121.06519	9.5
121.10172	4.3
123.08022	1.8
128.06221	3.7
129.06979	4.0
131.08569	9.2
133.06465	2.9
133.10112	3.0
135.08078	2.3
141.06979	4.5
143.04846	1.3
143.08607	1.7
144.05699	3.0
145.06479	11.9
145.10161	2.3
147.08041	9.4
147.11687	5.7
149.09659	1.8
151.03903	2.2
153.06943	1.5
155.08585	1.4
157.10085	4.4
159.08078	17.8
159.11725	1.3
160.05234	1.6
161.05998	5.8
161.09607	0.9
163.07555	32.1
165.12668	1.6
167.08565	1.4
167.40306	0.9
169.10178	2.0
171.08070	11.0
171.11664	1.3
173.09563	1.7
173.13269	0.8
175.11224	4.5
181.06464	1.4
181.10020	1.1
182.07407	1.2
183.08023	2.3
185.09628	3.2
187.07579	24.4
189.05473	2.5
189.09111	5.2
193.12260	15.6
195.08087	3.7
196.08882	1.3
197.09615	6.1
199.07501	6.5
199.11205	1.5
201.09178	1.0
203.03384	1.0
209.09630	3.1
210.10329	4.6
211.11148	3.8
211.13287	12.5
212.11922	1.7
213.12808	1.1
215.07047	100.0
217.08667	2.2
223.11151	1.2
224.11902	3.4
225.09212	2.5
225.12769	5.0
227.14375	0.9
229.08627	1.2
237.08923	1.7
239.10675	1.3
239.14314	12.7
240.14931	1.1
241.12230	4.6
241.15913	3.7
243.06570	6.3
249.12650	1.4
252.11308	2.6
253.08597	3.1
257.04535	7.0
257.15341	1.4
267.09424	1.7
267.13800	18.2
270.05164	2.3
285.07559	7.4
285.11127	9.9
285.14774	19.6
285.17087	3.5
285.21893	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1488
Annotation	(Z)-14-(furan-2-yl)tetradeca-9-en-11,13-diynoic acid
Peak:m/z	Relative Intensity
55.05518	12.6
56.96571	2.9
57.03445	5.6
60.50366	1.2
66.76299	1.1
67.05491	4.6
69.03426	1.5
69.07064	2.6
70.49132	1.0
71.04964	1.4
72.98404	1.1
73.06548	1.4
75.04499	1.2
79.05505	6.4
81.03419	9.7
81.07069	8.3
83.04989	11.5
83.08595	5.2
85.02917	6.3
85.06567	1.2
86.58863	1.1
91.05479	7.8
93.07038	3.2
95.04971	3.4
95.08601	3.4
97.06538	14.8
97.74056	1.1
105.07019	3.9
107.08563	1.9
109.06538	1.5
111.08071	1.8
115.05489	1.3
117.07023	1.2
119.08583	5.1
121.06511	9.8
121.10143	1.8
128.06206	2.3
129.06969	2.4
131.08585	7.6
133.10129	2.7
135.08054	7.4
141.06943	2.8
142.07777	1.3
143.08530	1.4
145.06459	4.3
147.08064	16.8
147.11690	1.9
153.07005	3.1
155.08514	2.5
157.10144	1.5
158.07187	3.4
159.08066	10.7
161.05939	1.8
161.09633	2.3
165.06963	3.5
166.07735	1.3
167.08563	5.2
169.06461	2.3
169.10100	3.8
170.07298	8.2
171.08064	27.6
173.09619	3.3
175.11217	2.2
178.07777	2.3
179.08583	6.2
181.06485	2.3
181.10124	3.1
182.07278	2.6
183.08023	7.5
183.11591	1.8
184.08780	3.8
185.09657	10.9
187.07578	3.0
187.11128	1.6
189.09128	1.9
191.08525	4.8
192.09218	2.3
193.10129	6.0
193.12231	8.7
194.07304	1.8
195.08044	14.9
195.11714	1.4
196.08846	7.4
197.09644	24.7
198.06813	2.7
198.10414	1.9
199.07558	2.6
199.11195	12.9
201.09055	1.2
206.10960	7.2
207.07927	1.7
208.08768	3.5
209.09616	19.4
210.10419	22.3
211.07588	3.2
211.11159	18.6
211.13245	6.3
212.11964	12.3
213.09062	4.5
213.12680	4.1
215.07068	10.3
217.10068	1.2
219.08099	5.3
221.09557	1.3
221.13318	6.1
223.07605	1.8
223.11133	5.0
224.08345	2.5
224.11983	21.7
225.09044	4.5
225.12764	13.4
226.13541	2.5
228.11481	1.7
229.08609	3.6
234.10402	5.7
235.11240	1.4
237.09167	10.0
238.09871	11.5
239.02274	3.7
239.10477	4.6
239.14334	100.0
240.15080	7.8
241.12128	2.6
241.15898	40.1
243.06386	3.1
243.10252	2.5
249.12744	6.4
252.11519	18.2
253.08568	1.7
256.10834	2.0
257.03482	2.0
257.15363	17.9
267.09515	1.6
267.13828	37.1
279.05295	1.3
285.07468	3.6
285.14804	77.5
286.15308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1487
Annotation	Allogibberic acid
Peak:m/z	Relative Intensity
53.03949	1.2
55.01860	2.8
55.05505	8.0
56.96566	5.8
57.03433	1.8
63.00055	1.4
67.05498	2.8
69.03445	3.1
69.07056	4.7
69.54874	8.6
70.06584	4.2
70.74410	1.2
71.04964	1.8
79.05484	9.5
81.03417	3.5
81.07051	20.1
83.04980	2.3
84.08146	1.9
84.13546	1.5
85.02921	1.7
85.06542	3.8
86.09692	1.5
91.05489	9.9
93.07058	6.2
95.04980	3.5
95.08588	1.6
97.06522	12.4
98.97577	6.7
98.98430	1.4
103.05469	1.4
103.12032	1.3
105.07034	16.9
107.04960	3.1
107.08595	2.5
108.88795	1.2
109.02842	1.2
109.06521	5.8
113.07165	1.2
115.05472	1.3
116.98597	3.0
117.07020	3.2
119.08552	7.4
121.06492	15.8
123.04438	1.4
124.03960	1.6
125.05977	1.8
127.07555	1.2
129.06995	2.3
131.04903	1.4
131.08580	6.4
132.05687	1.8
133.06502	11.6
133.10188	1.7
135.08063	3.0
141.06969	3.9
143.08556	2.0
144.05629	1.5
145.06522	7.1
145.10132	2.8
147.08043	51.6
149.09607	1.3
151.03867	1.5
153.07014	3.1
155.08522	3.1
157.10020	1.5
158.07278	5.1
159.08075	15.0
160.08818	2.4
161.05983	5.2
161.09639	8.3
163.07550	4.1
165.07053	4.1
166.07736	1.5
167.07030	8.2
167.08554	5.0
169.06453	2.4
169.10110	4.0
171.08034	17.3
173.01295	1.6
173.09622	13.3
175.07605	2.2
177.00829	1.4
178.07797	3.4
179.08510	8.1
181.06482	5.3
181.10112	3.0
182.07199	7.3
183.08075	6.2
184.08795	3.0
185.05975	2.0
185.09584	4.9
186.06812	1.4
187.07581	4.9
191.08572	5.9
192.09294	3.9
193.10162	4.2
193.12192	1.5
194.07281	2.0
195.08060	16.7
195.11658	1.5
196.08842	9.5
197.09604	27.0
198.06735	5.8
199.11179	3.2
201.09171	8.4
205.10217	2.8
206.10883	7.4
207.11671	3.3
208.08862	3.8
209.09610	24.2
210.06894	1.4
210.10402	21.8
211.07550	3.5
211.11156	16.6
211.14720	1.5
212.08386	1.5
212.11908	7.5
213.05716	1.5
213.09090	9.4
215.06927	2.5
215.10617	1.7
216.09285	2.5
219.08055	5.4
219.11584	1.6
221.06047	2.2
221.09599	1.8
221.13206	8.1
222.10355	2.3
223.11206	9.3
224.08463	2.4
224.11948	21.2
225.09262	7.3
225.12704	24.0
226.09883	2.0
227.10684	2.2
227.24960	1.4
229.08667	1.4
231.11681	1.5
233.09666	3.6
234.10399	14.5
237.09146	7.3
237.12689	1.7
238.09935	4.9
239.10516	5.8
239.14302	100.0
241.12254	5.4
243.06993	4.1
249.12724	17.8
249.35114	1.5
251.10722	1.4
252.11406	8.0
253.08594	4.1
257.15417	3.4
267.13773	54.4
285.03931	3.4
285.07584	6.7
285.11392	3.8
285.14691	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01866	2.6
55.05522	8.1
56.31493	0.9
57.03441	9.6
67.05506	13.5
69.00233	0.8
69.03422	2.4
69.07054	3.5
69.46561	7.1
71.04991	1.3
75.36135	0.8
76.43368	0.9
79.05500	14.4
81.03424	100.0
81.07060	12.4
83.04993	6.8
83.08631	17.5
85.02912	8.6
91.05488	15.4
93.07046	7.7
95.04361	1.6
95.04973	26.4
95.08593	4.0
95.74168	1.0
97.02892	3.3
97.06544	1.0
105.07048	11.1
107.04958	4.7
107.08588	4.1
109.06511	2.9
109.10155	2.1
111.04418	2.0
111.08086	11.3
113.05938	1.0
117.07018	1.2
119.08587	10.0
121.06551	1.9
121.10164	4.6
123.08047	1.3
129.07016	6.4
131.08591	6.6
133.06482	3.6
133.09222	0.9
133.10123	3.7
134.43021	0.9
134.71465	0.9
136.49783	0.8
137.09584	1.5
142.07796	1.3
145.10132	1.7
147.08051	2.2
147.11697	9.5
149.09615	3.3
157.10159	9.2
165.12743	1.2
175.11205	12.4
193.12250	39.9
211.13283	9.5
221.06026	1.0
246.70284	1.0
253.08574	1.2
257.04382	2.1
267.13806	0.9
267.16052	8.2
285.03983	1.1
285.07745	1.2
285.11472	1.0
285.16989	7.2
285.22104	2.4
286.04614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03935	4.0
55.01871	3.8
55.05264	1.5
55.05518	22.4
55.11538	1.1
57.03444	46.7
59.05004	1.9
65.03932	1.5
67.05509	34.9
69.03448	6.5
69.07088	10.3
69.38456	10.1
71.05000	10.0
73.06551	1.2
79.05067	2.1
79.05502	35.6
81.03426	100.0
81.07065	41.6
83.04481	1.5
83.04988	20.0
83.08143	1.8
83.08625	33.4
85.02915	68.3
85.06545	2.9
91.05495	45.1
93.07050	25.6
95.04982	36.9
95.08608	18.6
97.02926	3.6
97.06519	6.1
97.10174	3.5
99.08128	2.0
105.07043	29.7
107.04967	8.8
107.08597	9.3
109.06507	6.8
109.10175	2.9
111.04427	2.4
111.08090	19.4
113.06007	5.4
115.05464	2.6
117.06999	3.1
119.08601	28.1
121.06490	2.8
121.10147	14.9
123.08054	3.0
123.11697	3.1
125.09678	2.1
129.07021	15.2
130.93521	1.2
131.08591	18.1
133.06467	4.7
133.10155	14.0
137.09622	1.6
142.07799	3.0
145.10188	1.4
145.55540	1.3
147.08067	5.3
147.11697	23.3
149.09650	8.8
155.08525	1.7
157.10155	18.6
165.12758	7.2
173.25069	1.3
175.11201	21.4
193.12268	77.6
203.03371	2.7
211.13310	53.5
223.07686	1.2
241.07462	1.9
257.04523	9.7
259.08560	2.9
267.16040	6.4
285.04123	1.6
285.07480	1.9
285.16986	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01877	4.1
55.05506	12.1
57.03187	1.9
57.03440	23.5
65.03937	1.4
67.05174	1.8
67.05512	20.4
69.03430	4.4
69.07065	5.6
69.31983	10.4
71.04990	5.1
79.05501	19.0
81.03423	100.0
81.07063	23.4
83.04979	9.4
83.08620	26.8
84.22343	1.3
85.02912	34.3
85.06532	2.4
91.05483	26.6
93.07047	14.8
93.93507	1.7
94.11723	1.2
95.04969	34.2
95.08622	8.9
97.02901	3.0
97.06551	3.4
97.10165	2.9
105.07035	18.7
107.04971	8.6
107.08620	8.5
109.06524	4.1
109.10184	2.2
111.04430	3.5
111.08080	18.0
113.06004	2.4
115.31712	1.4
117.07050	1.8
119.08589	20.8
121.10162	7.5
123.08067	1.9
123.11722	1.4
123.20100	1.2
129.07013	9.6
131.08566	7.4
133.06506	3.5
133.10146	6.6
137.09578	1.7
142.07813	4.5
147.08038	2.9
147.11705	15.3
149.09625	5.9
157.10127	14.8
165.12726	4.8
175.11192	23.1
193.12256	69.3
211.13300	27.2
213.09177	1.4
229.14343	2.0
267.15903	11.2
279.89355	1.2
285.16992	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01871	1.5
55.05518	9.9
56.13595	1.1
57.03445	8.5
64.84130	1.0
67.05517	10.6
68.93677	1.1
69.03433	3.6
69.07078	2.9
69.47935	5.6
71.05008	2.1
72.61703	0.9
73.86764	1.0
79.05509	13.4
81.03429	100.0
81.07069	13.3
83.04990	6.2
83.08625	21.2
83.76920	1.0
85.02914	7.9
91.05496	17.0
93.07067	7.6
95.04984	22.5
95.08619	4.6
97.02913	2.4
97.06544	2.0
105.07040	11.2
107.04973	5.6
107.08601	4.2
109.06527	2.0
109.10159	1.5
111.04441	2.3
111.08101	10.4
116.06184	1.0
119.08611	10.5
121.06522	1.7
121.10164	6.0
123.08060	1.6
128.06279	1.1
129.07022	7.6
131.08578	8.5
133.06502	2.8
133.10141	3.3
142.07809	2.9
145.10144	1.7
147.08105	2.7
147.11702	6.6
149.09660	4.5
157.10149	10.9
165.12761	2.2
175.11197	11.5
192.12160	1.1
193.12260	41.9
198.38968	1.2
210.10478	1.4
211.13245	8.2
227.27663	1.0
239.14302	2.5
258.05283	2.3
267.16016	9.5
272.14026	1.1
285.07562	3.3
285.10892	1.0
285.14569	2.4
285.17102	4.3
286.04678	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01863	5.9
55.05270	2.3
55.05518	30.9
56.96556	2.2
57.03441	52.0
65.03936	2.5
67.05508	51.7
69.03432	6.3
69.07077	12.8
70.79218	3.5
71.01330	1.6
71.04996	13.2
77.03949	1.7
79.05498	55.0
81.03423	100.0
81.07063	56.7
83.04988	22.0
83.08621	38.4
85.02911	94.0
85.06542	5.3
87.04467	2.9
90.80790	1.5
91.05491	60.9
93.07047	36.1
95.04980	46.1
95.08617	23.8
97.02885	5.0
97.06528	8.9
97.10182	4.8
99.08108	1.9
100.11266	1.8
105.07042	47.1
107.04935	8.4
107.08598	15.2
109.06555	8.3
109.10178	8.0
111.04433	4.2
111.08096	22.6
113.05978	7.3
115.05446	2.4
117.07034	2.9
119.07792	2.9
119.08591	31.1
121.06535	2.4
121.10139	22.3
123.08079	5.5
123.11721	2.4
125.09622	2.1
127.07565	1.7
128.06206	1.5
129.06996	16.7
131.08574	21.7
133.06490	4.4
133.10120	19.1
137.09633	5.0
142.07782	4.8
145.10123	4.1
147.08061	5.8
147.10632	2.9
147.11690	29.4
147.12793	2.3
149.09619	11.9
157.10139	23.4
163.11072	2.4
165.12773	6.3
175.11191	24.8
187.07593	3.3
193.12257	84.8
211.13283	54.4
229.14438	2.9
239.07097	1.8
241.12366	2.2
253.08389	1.7
258.05316	2.3
267.10333	2.7
267.16058	5.7
285.07724	4.3
285.11359	4.6
285.16989	63.2
286.04672	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
53.67784	0.9
53.93724	1.0
55.01857	2.0
55.05514	13.5
57.03438	17.9
65.03940	1.5
67.05173	1.7
67.05505	25.4
69.03409	3.9
69.07067	6.2
69.25145	7.7
71.04984	6.7
71.16114	0.9
79.05492	20.8
81.03416	100.0
81.07058	28.8
83.04974	9.6
83.08614	21.6
85.02433	1.7
85.02901	22.0
85.06532	2.9
87.04456	2.3
91.04909	1.2
91.05482	23.6
93.07039	14.8
95.04370	1.5
95.04971	26.9
95.08599	15.7
97.02880	3.1
97.06517	3.8
97.10165	2.3
99.08087	1.2
105.07029	18.8
107.04945	5.3
107.08601	7.2
109.06502	3.6
109.10174	6.1
111.04420	2.5
111.08090	13.9
113.05984	1.6
115.05489	1.3
117.06979	1.2
119.08572	15.9
121.02877	1.5
121.06503	2.2
121.10143	10.8
123.08041	1.1
123.11710	3.0
124.01563	1.3
125.09634	2.1
129.07007	9.8
131.08551	9.2
133.06453	2.8
133.09256	1.2
133.10123	7.1
135.11671	2.6
137.09613	2.2
142.07771	3.2
145.10139	1.3
147.08084	2.9
147.11687	13.5
149.09595	5.6
152.01021	2.8
156.50584	1.2
157.10118	12.1
165.12752	3.7
170.02124	1.1
175.11185	12.9
193.12239	56.6
193.57076	1.0
203.17967	2.1
211.13290	24.2
224.63222	1.0
229.14354	1.4
239.20073	3.2
241.12170	1.9
242.05690	11.6
253.04897	1.4
257.04633	1.2
267.15936	9.7
267.18878	1.5
269.04361	8.4
270.05225	45.4
285.07565	82.0
285.16919	18.7
286.07925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01866	4.4
55.05511	27.9
56.96553	5.4
57.03440	56.5
57.07095	2.3
59.05007	2.6
65.03950	1.9
66.11842	1.9
67.05168	3.1
67.05510	38.6
69.03419	8.6
69.07070	13.8
69.60126	3.7
69.60535	9.4
71.04995	10.4
79.05500	36.2
81.03423	100.0
81.07063	45.9
83.04982	18.8
83.08624	41.6
85.02911	80.9
85.06552	4.3
88.36219	1.9
91.05486	48.2
93.07043	25.3
95.04971	44.2
95.08617	15.9
97.02892	4.5
97.06542	36.7
97.10162	3.7
98.21529	2.5
99.08089	2.3
105.07034	29.0
107.04959	9.0
107.08607	14.1
109.06512	7.7
109.10160	5.1
111.04440	6.1
111.08084	18.4
113.05994	6.9
115.05383	2.0
117.07003	2.9
119.08602	29.0
121.02834	2.9
121.06503	5.8
121.10170	18.7
123.08045	5.7
123.11688	4.5
125.09628	2.2
128.06348	2.1
129.07007	16.0
131.08586	15.7
133.06534	4.3
133.10109	13.1
135.08043	2.8
137.09653	3.3
142.07825	3.8
147.08081	14.9
147.11685	24.2
149.09622	7.2
155.08530	3.0
157.10129	23.9
161.05989	4.0
165.12779	6.1
171.08095	2.0
175.11197	26.8
180.60298	2.3
187.07576	3.5
189.09122	4.1
193.12248	99.7
195.08087	2.1
199.07576	7.9
203.03542	2.0
211.13286	80.5
225.12753	3.2
239.14281	3.7
241.12199	6.5
241.15900	2.6
243.06635	9.5
253.08585	3.7
257.04483	12.0
267.13556	2.6
267.16080	2.4
285.07535	10.7
285.11063	13.3
285.17090	48.8
285.21811	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01861	8.0
55.05513	29.3
57.03442	59.1
57.07072	4.5
63.00037	2.8
63.58928	2.0
65.03940	2.4
67.05171	3.6
67.05506	48.6
69.03435	6.9
69.07069	13.0
69.22002	6.6
69.22429	16.6
71.04998	10.7
79.05490	46.4
81.03422	100.0
81.07059	54.5
83.04981	21.5
83.08624	36.6
85.02905	88.0
85.06539	4.0
91.05485	59.1
93.07049	35.8
95.04970	45.9
95.08606	27.3
95.19049	1.9
97.02911	3.5
97.06514	8.5
97.10161	4.4
98.21572	3.6
99.08088	2.9
105.07038	32.0
107.04948	7.8
107.08614	17.6
109.06531	10.3
109.10180	7.4
111.04469	4.3
111.08073	22.6
113.06003	9.9
115.05460	3.8
117.07014	2.6
119.08584	43.1
121.06532	4.0
121.10136	16.9
122.71623	2.1
123.08040	4.4
123.11716	5.4
129.07033	15.2
131.08609	15.1
133.06468	4.5
133.10121	16.2
135.11694	3.5
137.09644	2.6
142.07761	3.9
145.10146	4.2
147.08084	4.1
147.11705	28.4
149.09586	12.0
157.10129	25.6
163.59787	2.5
165.12775	9.4
175.11194	31.3
185.28902	2.5
193.12253	98.5
211.13289	74.1
211.15288	3.7
229.13420	2.2
257.04352	4.7
267.10239	4.5
285.07513	20.6
285.16910	65.2
285.21777	3.6
285.29767	2.3
285.33450	4.2
289.77667	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76178	2.9
53.03956	6.6
55.01869	5.7
55.05514	23.0
57.03448	52.7
57.07055	4.3
59.05001	3.0
63.00045	3.2
67.05512	41.4
67.67354	2.8
69.03433	8.8
69.07075	15.3
71.04995	8.6
79.05507	45.6
81.03431	93.6
81.07066	50.3
83.04993	17.1
83.08637	42.4
84.01492	2.8
85.02914	97.2
85.06563	6.9
91.05489	87.2
93.07056	31.5
95.04986	42.2
95.08624	23.4
97.02910	5.9
97.06531	5.1
99.08130	3.8
99.45350	2.6
104.60474	2.5
105.07045	39.5
107.04980	8.9
107.08625	16.1
109.06540	8.7
109.10172	5.2
111.04419	7.7
111.08099	18.4
113.06023	7.9
115.05476	3.0
119.08584	37.0
121.10146	19.9
123.08050	6.4
123.11729	5.1
129.07030	17.9
131.05025	3.8
131.08580	19.1
133.06534	3.7
133.10138	16.7
142.07813	4.1
145.10149	6.3
147.08032	6.3
147.11708	23.6
149.09628	6.0
157.10170	22.0
165.12830	5.7
171.01471	4.9
175.11220	28.1
193.12262	100.0
203.03380	3.7
211.13306	75.7
229.14517	4.5
240.90958	2.4
257.04626	4.6
267.10168	30.9
270.05246	8.6
284.33136	4.0
285.07666	31.9
285.10596	4.6
285.16971	66.0
285.22043	6.4
285.33429	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	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03963	6.5
55.05501	16.5
61.24927	3.8
67.05499	25.1
69.07076	69.6
71.04990	8.7
73.60353	4.6
74.88269	4.0
79.05513	21.9
81.03406	5.4
81.07060	42.6
83.08617	15.1
85.02928	3.9
85.44515	4.6
91.05493	33.8
91.30306	4.6
93.07071	34.2
95.04984	10.0
95.08608	48.0
97.06538	14.9
97.10149	7.4
98.21523	9.9
105.07043	63.7
107.08601	52.6
109.06524	27.7
109.10176	32.4
109.22491	4.6
111.08069	16.7
117.07065	7.1
119.08589	78.8
121.06493	15.3
121.10171	42.0
123.08046	5.0
123.11716	24.0
131.08533	13.5
133.10139	68.1
135.08035	15.9
135.11687	17.7
143.08546	9.9
145.10112	26.4
146.07263	9.5
147.11737	23.7
149.09673	4.8
155.08556	7.7
156.09308	5.4
157.10121	15.8
159.11720	14.0
161.09630	100.0
161.13245	7.9
163.43053	4.2
169.10051	8.1
173.13297	10.5
175.11205	6.3
175.14844	64.0
177.16388	8.8
183.11714	7.0
185.13280	16.3
193.15944	10.1
197.13268	16.7
199.14848	4.7
203.17952	7.6
211.14746	13.3
249.86403	4.7
253.05180	5.5
260.88535	4.4
267.10120	8.7
267.21036	20.7
270.05222	6.2
285.07599	33.3
285.22144	45.0
285.30011	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	286.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15045	0.3
53.03938	0.3
53.39774	0.3
55.01871	0.5
55.05496	0.3
56.96569	1.7
58.99591	3.0
61.01153	17.8
62.99108	0.4
69.03435	0.5
69.49352	2.1
70.06602	3.0
72.08170	0.8
73.01151	1.1
73.02918	0.6
78.03452	1.0
80.05020	3.1
84.04528	0.5
84.08146	0.7
85.02905	0.4
86.09712	1.0
86.99064	3.6
89.00620	54.5
96.04518	1.6
96.05035	0.3
97.96772	0.3
98.97585	4.9
102.98528	3.3
105.00094	2.4
105.03413	0.5
106.02930	1.0
110.07156	0.4
116.07092	1.5
116.98696	2.4
117.00077	9.0
123.04406	0.3
124.03957	100.0
125.04295	0.3
127.82543	0.3
134.99626	0.6
135.01112	8.9
143.00188	0.6
149.01250	0.3
149.86299	0.3
161.01257	0.6
163.00612	25.9
168.13832	0.6
173.01245	2.0
173.09239	0.8
186.83423	0.4
189.82677	0.3
191.02281	1.2
201.24220	0.3
217.00049	0.4
219.07007	0.7
245.05122	0.5
250.60660	0.3
281.01752	0.4
286.03763	2.6
286.08115	0.3
286.20242	0.5
290.68942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0926
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03945	0.4
55.05504	0.3
56.03208	0.2
56.96568	1.9
57.03438	0.3
61.01147	0.9
69.03434	0.9
69.52917	0.2
69.87276	1.0
70.06598	4.2
72.08161	2.4
73.02921	0.3
76.28782	0.2
78.03456	2.0
78.91401	0.2
80.05024	3.7
81.03426	0.9
81.39034	0.2
83.04969	0.3
84.04538	0.3
84.08144	0.4
84.72149	0.2
85.02904	2.3
86.09719	0.5
89.00626	2.9
93.04575	0.2
96.04507	2.9
97.02895	0.8
97.94793	0.2
98.20805	0.3
98.97592	2.8
99.04460	0.8
106.02927	8.1
109.02911	1.1
112.07642	0.5
116.07105	4.3
116.98635	1.6
117.00087	0.5
117.05518	0.3
124.03967	100.0
125.04295	0.4
127.03915	1.4
131.00185	0.3
134.99693	0.6
135.01152	0.4
140.07069	0.3
140.98605	0.3
143.00166	0.3
143.11804	1.0
149.01303	0.3
158.99623	0.5
163.00626	1.7
167.04567	0.2
171.11349	0.4
173.01265	1.2
173.09282	0.3
177.00729	0.6
191.02336	1.1
212.25206	0.2
215.13774	0.2
221.03366	0.2
222.07594	0.5
235.01317	0.2
250.07126	2.1
258.06610	0.7
258.96048	0.2
268.08209	1.8
276.07779	0.4
286.09253	23.6
287.10986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0925
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03939	0.2
56.05023	0.2
56.96568	2.2
57.03438	0.2
59.04994	0.3
61.01155	0.2
68.32681	0.2
69.07088	0.2
70.06599	2.0
70.36640	0.1
71.53928	0.2
72.08141	0.3
78.03453	0.7
80.05017	3.2
83.72215	0.1
84.04503	0.4
84.08141	0.6
84.96008	0.2
85.02902	0.3
86.09707	0.6
89.00620	1.1
91.05460	0.3
93.83566	0.1
96.04501	2.2
96.08107	0.2
97.96810	0.5
98.97590	6.3
99.04473	0.3
106.02908	0.3
112.99141	0.2
115.02468	0.2
115.97911	0.1
116.07076	0.8
116.98633	2.8
117.00052	0.2
117.05490	0.5
124.03962	100.0
124.99149	0.2
125.04279	0.3
128.98476	0.2
131.00166	0.6
134.99696	0.6
135.01155	0.2
140.10774	0.8
143.00156	0.5
143.11800	0.2
145.05022	0.1
148.07645	0.2
149.01219	0.4
150.12781	0.4
155.08185	0.3
161.01233	0.7
163.00658	0.5
163.03918	0.5
166.12292	0.5
168.13855	3.2
173.01227	2.9
178.98790	0.2
191.02266	1.7
217.00230	0.3
224.03886	0.2
224.16505	0.3
236.16545	0.2
254.17563	1.2
268.11694	0.2
268.19141	0.7
281.01852	0.6
286.04730	0.6
286.09308	3.1
286.12314	0.2
286.20206	2.4
287.05725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0932
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03938	0.5
55.01864	0.9
57.03428	1.7
59.08736	0.4
61.02930	4.2
69.03432	5.6
70.06606	2.0
71.05017	0.5
71.53742	0.4
71.54810	0.4
73.02913	1.8
74.16037	0.4
80.05018	1.4
81.03444	2.1
85.02908	14.5
87.04466	1.2
91.03962	1.1
96.04494	1.4
97.02895	5.0
98.10211	0.4
98.97572	0.4
99.04438	1.2
101.00903	1.4
109.02887	1.1
109.37470	0.4
112.07642	0.4
113.00850	0.5
116.04678	0.4
116.07095	0.9
119.01905	2.1
124.03960	100.0
125.04369	0.4
127.03907	3.5
131.01884	1.2
132.03404	0.4
133.03435	0.6
140.07048	0.4
143.01929	1.8
145.04970	2.6
153.88112	0.4
155.01874	0.9
157.03561	0.5
161.02988	1.4
168.99896	0.5
173.03003	1.1
175.03502	0.8
185.02972	0.7
187.00919	0.7
196.04056	0.8
196.99261	0.4
205.04553	0.5
213.02496	0.3
215.00417	1.4
215.45367	0.4
221.05333	0.5
229.02000	0.7
231.03543	0.5
245.05132	0.7
247.03041	1.7
259.03015	0.7
286.09015	1.2
289.04092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.1
56.96569	0.5
58.90789	0.1
59.18840	0.1
67.01872	1.8
67.05522	0.1
68.99801	1.4
69.03428	0.2
69.07086	0.1
71.55437	0.1
71.55804	0.1
79.05504	0.4
81.03412	0.3
81.07051	0.2
83.01353	0.1
84.96049	0.1
85.02930	0.1
86.09705	0.1
89.03928	0.7
91.05529	0.2
93.07056	0.1
95.04975	0.2
95.08596	0.1
97.02905	0.2
98.97604	0.2
105.03416	0.1
105.07035	0.2
107.04974	0.8
107.08584	0.1
108.05309	0.2
109.02887	0.2
111.00822	0.3
111.04441	0.2
115.05480	0.1
117.03409	0.8
119.08645	0.1
121.02911	0.1
121.06532	0.1
123.04437	0.1
125.02383	0.2
127.03924	0.1
129.01881	0.3
129.07004	0.1
133.10034	0.1
134.94255	0.1
134.99756	0.1
135.04433	4.6
137.02380	1.3
137.03416	0.2
147.04433	0.2
147.08109	0.2
153.01851	11.9
154.02171	0.1
157.06494	0.3
157.07716	0.1
157.10220	0.1
159.04517	0.1
161.02353	1.7
161.09651	0.2
167.03593	0.2
167.04938	0.2
171.02896	1.0
171.04387	0.3
173.06035	0.2
175.45592	0.1
179.03450	0.6
185.06030	0.4
195.04422	0.1
199.03922	0.2
203.03404	0.2
213.05400	0.5
219.06590	0.1
231.06503	0.1
241.04982	1.6
245.04498	0.2
259.06052	0.2
269.04465	1.0
270.98132	0.1
287.05530	100.0
288.05911	1.8
289.09787	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.63511	0.1
50.94757	0.1
51.02398	0.1
53.30226	0.1
56.04486	0.1
59.55938	0.1
61.53721	0.1
65.03933	0.1
67.01868	1.9
68.99432	0.1
68.99792	1.5
69.20509	0.3
69.20941	0.3
74.91666	0.1
79.05482	0.3
81.03413	0.1
87.15928	0.1
88.72801	0.1
89.03927	0.9
95.04988	0.1
97.02895	0.1
97.06528	0.1
107.04975	0.3
109.02892	0.1
111.00816	0.3
111.04439	0.2
115.05444	0.1
117.03393	1.0
125.02374	0.2
127.03922	0.1
128.06232	0.1
129.01860	0.3
129.07013	0.1
133.02873	0.1
135.04425	5.2
137.02351	1.3
137.03409	0.1
139.05426	0.2
141.06981	0.1
143.01295	0.1
147.04361	0.1
149.02361	0.1
153.01837	13.0
157.06502	0.2
161.02344	1.4
161.03575	0.1
163.07565	0.2
164.50940	0.1
167.04919	0.1
171.02893	0.7
171.04414	0.2
173.05887	0.1
175.81696	0.1
179.03395	0.6
185.02206	0.1
185.05954	0.4
189.05338	0.1
195.04361	0.1
198.06549	0.1
199.03903	0.2
201.05484	0.1
203.03413	0.3
203.07036	0.1
213.05457	0.5
219.06494	0.2
227.03448	0.1
231.06593	0.2
241.04959	1.6
245.04471	0.3
246.79041	0.1
259.06012	0.2
263.05707	0.2
263.90723	0.1
269.04440	0.7
287.05505	100.0
288.05814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.22971	0.1
67.01527	0.1
67.01872	1.7
68.99789	1.2
69.03439	0.1
70.79675	0.2
76.14478	0.1
79.05489	0.3
79.87730	0.1
81.03418	0.2
88.43922	0.1
89.03923	0.9
93.22314	0.1
97.02898	0.1
97.06512	0.1
97.75624	0.1
104.36408	0.1
107.04958	0.3
109.02867	0.1
111.00790	0.3
111.04447	0.2
115.48323	0.1
117.03394	0.8
122.86486	0.1
125.02360	0.2
127.03893	0.1
129.01840	0.3
129.07080	0.1
135.04424	5.0
137.02354	1.3
137.03413	0.1
139.05460	0.2
145.06561	0.1
147.04349	0.1
151.03851	0.1
153.01839	12.5
157.06485	0.2
161.02336	1.4
167.04932	0.1
171.02890	0.6
171.04417	0.3
177.05502	0.1
179.03412	0.5
185.05984	0.3
189.05492	0.2
195.04364	0.1
199.03947	0.2
203.03407	0.2
203.06941	0.1
213.05504	0.6
217.04955	0.1
218.05798	0.1
219.06439	0.2
231.06543	0.3
240.04050	0.1
241.04959	1.4
244.03725	0.1
245.04471	0.2
258.05283	0.1
259.06088	0.2
263.05460	0.1
269.04453	0.9
270.05075	0.1
286.04993	0.1
287.05511	100.0
288.05859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22658	0.2
52.74474	0.1
55.01866	0.2
55.05504	0.4
56.96576	0.8
63.00048	0.1
65.88359	0.1
67.01870	1.8
67.05488	0.3
67.05828	0.2
68.99792	1.4
69.03429	0.3
69.32592	1.3
70.06581	0.3
70.80381	0.1
72.08146	0.1
77.40253	0.1
79.05482	0.7
80.11095	0.1
81.03411	0.3
83.08585	0.2
84.08136	0.2
85.02894	0.2
86.09698	0.2
89.03927	0.7
91.05464	0.5
93.07059	0.4
95.04964	0.2
97.06547	0.2
98.20708	0.1
98.97604	0.9
102.63522	0.2
105.07025	0.3
107.04952	0.6
107.08563	0.2
109.02911	0.2
109.06506	0.2
111.00806	0.2
111.04476	0.3
115.05456	0.3
116.98605	0.3
117.03352	0.8
119.08582	0.4
121.02826	0.3
121.06512	0.3
125.02325	0.2
127.03895	0.3
128.06232	0.2
129.01843	0.3
129.06934	0.2
130.06577	0.3
131.08598	0.2
134.99706	0.2
135.04424	4.4
135.07967	0.3
136.62712	0.1
137.02377	1.2
139.05415	0.2
142.04991	0.4
143.00189	0.2
143.11858	0.2
145.06544	0.3
145.23466	0.1
147.08041	0.6
153.01836	12.1
153.50494	0.2
157.06534	0.3
159.04735	0.2
161.01218	0.2
161.02354	1.4
161.05962	0.1
161.09621	0.4
163.07538	1.0
167.03511	0.2
167.04973	0.2
167.07057	0.4
167.08441	0.2
171.02957	0.8
171.04245	0.2
171.08031	0.3
172.94501	0.2
177.00844	0.2
179.03415	0.5
183.62996	0.2
185.05977	0.4
185.09523	0.2
195.08069	0.2
198.07954	0.2
201.00565	0.2
201.05391	0.2
203.03621	0.2
209.09734	0.2
213.05489	0.5
219.01765	0.2
225.12717	0.2
226.07401	0.3
227.10701	0.3
227.14325	0.5
241.05025	1.3
241.09735	0.3
245.04240	0.3
259.05905	0.2
263.05618	0.2
269.04547	0.8
269.15463	0.2
287.05511	100.0
287.09985	2.8
288.05945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	2.8
57.03437	0.9
61.02938	0.7
69.03410	2.3
69.07063	2.1
69.71865	3.1
70.06598	4.3
72.08155	1.1
73.02917	1.2
79.05537	0.6
84.04517	1.2
84.08150	2.6
85.02917	4.2
86.09696	0.8
88.41905	0.6
89.00611	0.6
96.06859	0.9
97.02903	2.7
98.97609	5.9
110.03065	0.5
110.97593	0.8
112.45728	0.5
112.91048	0.6
116.07119	0.9
116.98628	1.4
119.01839	1.0
124.03966	3.6
124.99151	0.7
125.04317	3.8
125.07100	0.6
125.50904	0.5
127.03942	0.9
128.98618	0.7
130.93321	0.5
140.07074	1.0
143.00208	0.7
146.99690	0.7
147.61546	0.7
158.99699	1.2
161.01204	1.3
162.05525	1.1
162.55623	1.2
163.03951	1.1
170.99643	0.7
172.94389	1.2
177.00655	1.3
190.95392	1.4
197.02118	0.7
201.00783	0.9
203.02235	0.6
208.96509	0.6
219.01820	0.6
232.96588	0.9
234.57559	0.8
236.12082	0.6
244.11812	0.6
248.99402	0.7
250.97661	0.8
287.05692	3.3
287.11047	100.0
288.11258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1644
Annotation	6beta-hydroxyestrone
Peak:m/z	Relative Intensity
53.03932	1.9
53.06140	0.8
55.01873	2.8
55.05521	5.3
56.96579	11.1
57.03444	2.0
59.05000	1.3
67.01884	1.4
67.05509	7.7
68.99775	1.6
69.03432	2.3
69.07082	8.6
71.04993	1.9
71.55092	1.4
79.05515	7.4
80.38031	0.9
81.03426	1.7
81.07068	12.4
83.04971	2.0
83.08626	3.7
85.02906	1.9
85.06552	1.3
86.09709	3.1
91.05496	6.2
93.07056	9.5
95.04989	4.2
95.08632	8.2
97.06547	14.1
97.10165	1.6
98.06874	2.0
98.97570	2.3
98.98529	1.1
105.07064	7.6
107.04958	2.2
107.08606	8.8
109.06535	2.9
109.10174	4.7
111.04454	1.7
111.08060	2.0
111.11761	1.0
112.99200	0.9
116.98676	1.5
117.03391	1.8
117.07021	1.9
119.08607	8.0
121.02830	1.0
121.06534	11.0
121.10144	5.3
123.08067	1.6
123.11710	2.4
124.99168	1.3
125.09564	0.9
127.11208	0.9
128.06213	1.6
128.10706	0.8
129.07031	1.9
131.08598	3.2
132.27937	0.8
133.06537	1.1
133.10150	3.3
135.04439	4.3
135.08066	3.5
135.11722	1.7
137.02351	1.1
137.05995	0.9
142.07776	1.2
142.67419	0.9
143.00163	2.3
143.08559	3.4
145.06525	4.4
145.10149	4.1
147.04413	1.2
147.08063	19.0
147.11702	3.1
149.09726	1.0
149.13292	3.1
153.01846	11.7
153.07016	2.8
155.08568	2.3
157.06468	1.5
157.10162	2.8
158.07240	1.7
159.04506	1.0
159.08099	3.3
159.11717	3.7
161.01253	1.8
161.02400	4.1
161.06110	2.6
161.09647	10.6
161.13297	2.2
163.03935	6.1
163.07559	64.6
163.14832	1.2
165.07033	1.8
166.07753	1.8
167.08603	1.9
169.01866	0.8
169.03436	1.1
169.10136	1.4
170.07271	1.0
171.05014	1.2
171.08099	6.2
171.11664	1.3
172.08911	0.9
173.02373	2.9
173.05954	1.0
173.09677	6.0
173.13367	1.6
174.02713	2.0
175.07564	2.9
179.08638	1.7
181.06587	1.6
181.10117	1.3
183.08093	2.1
183.11801	1.1
185.01170	1.5
185.06017	1.3
185.09644	9.4
185.13269	1.3
187.04526	1.4
187.07597	1.3
187.11215	1.9
187.14867	1.3
189.00743	2.0
189.09093	4.0
191.03528	1.2
191.07043	3.0
191.08649	1.7
192.09380	2.2
193.10205	1.4
195.08041	2.3
196.08824	1.1
197.03061	1.0
197.09689	4.0
198.10329	1.5
199.07532	1.5
199.11148	4.0
199.14871	1.2
201.09177	1.4
201.16437	3.2
203.02319	1.0
203.08661	1.1
205.19522	1.2
207.11690	1.4
208.08894	1.2
209.09651	3.6
210.10445	2.9
211.11172	5.9
212.08374	1.1
212.12076	2.2
213.09047	1.5
213.12775	2.3
213.16351	1.6
215.04016	2.2
215.07045	7.4
215.10597	1.0
216.07411	2.1
221.09682	2.7
222.10437	1.4
223.11237	3.4
223.14853	0.8
225.09401	1.2
225.12772	15.3
226.13554	1.1
227.07053	1.5
227.10712	7.5
227.14297	11.2
229.12292	1.8
231.01808	2.1
233.05031	3.2
233.09761	1.9
236.11957	4.1
236.55423	1.2
240.11560	1.2
241.05022	1.2
241.12170	8.1
241.15883	8.1
243.13680	1.0
246.07414	1.7
249.02892	2.9
251.14368	9.2
256.13281	1.7
259.05954	1.1
259.07095	1.2
259.09711	8.2
259.16891	1.7
260.09933	5.6
267.03870	1.7
269.04486	1.1
269.12747	1.8
269.15390	19.6
269.22665	2.1
270.16028	1.1
272.59012	0.9
285.05017	1.1
287.05539	100.0
287.08832	4.4
287.13129	5.7
287.16483	20.5
287.20010	2.5
287.23569	9.4
288.05896	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01858	0.8
55.05511	2.0
56.96562	1.6
57.03440	0.6
57.07068	1.3
67.01865	1.5
67.05511	3.7
68.99796	1.5
69.03426	1.2
69.07073	2.8
71.04994	0.7
71.55899	0.5
79.05496	4.0
81.07061	4.2
83.04987	1.2
83.08612	0.5
85.02911	0.5
85.06529	0.7
89.03917	0.7
91.05498	3.1
93.07053	3.6
95.04979	4.9
95.08609	3.8
97.06554	3.4
98.97589	1.0
98.98457	0.6
105.07025	4.7
107.04964	0.7
107.08616	4.0
109.06515	1.5
109.10156	1.8
111.08095	0.5
115.05497	0.8
116.98605	0.7
117.03375	0.9
117.07024	1.7
118.93977	0.4
119.08588	4.9
121.06541	1.1
121.10137	3.4
123.08047	1.0
123.11684	0.8
128.06223	0.9
129.07030	2.1
130.93274	0.7
131.08603	3.4
133.06483	0.7
133.10150	3.3
135.02032	0.4
135.04434	3.7
135.08081	1.1
135.11703	0.9
137.02350	1.0
137.09615	0.8
141.06912	0.5
142.07761	1.3
143.08578	3.1
144.09378	1.2
145.10141	4.2
147.04419	0.5
147.08049	1.0
147.11679	1.8
149.05980	0.6
149.09618	1.9
149.13335	0.6
153.01848	11.1
153.03128	0.6
155.08533	1.0
156.09351	2.2
157.10155	5.0
158.10896	1.0
159.08041	0.7
159.11713	4.9
160.12561	0.6
161.09608	1.5
161.13281	1.2
165.06960	0.8
167.08615	0.7
169.10124	1.5
170.10887	1.4
171.02873	1.3
171.11685	4.4
172.12468	0.8
172.94354	1.5
173.09625	0.8
173.13277	5.1
175.01578	2.8
175.14859	0.7
177.06822	1.1
179.03392	0.5
183.11610	0.5
185.09622	0.8
185.13306	3.4
186.14070	0.8
187.11215	1.2
187.14893	2.4
189.12764	1.7
190.95401	2.1
191.07057	2.8
191.10603	0.6
191.14250	1.1
195.11690	1.0
199.14917	1.3
203.14316	1.8
208.96465	0.8
209.13287	0.8
211.14883	1.8
212.85410	0.4
213.05481	0.6
213.12750	3.8
213.16457	0.6
223.14902	0.5
225.16444	0.6
227.14305	1.8
227.17900	0.6
229.15889	1.1
231.07935	0.6
231.13829	1.7
232.96457	1.8
239.14093	0.5
241.05046	1.4
241.19519	1.0
250.97690	0.9
251.17995	0.9
259.05627	0.5
269.04517	1.0
269.15958	0.9
269.19022	8.0
287.05524	100.0
287.16534	1.7
287.20074	14.9
287.23370	0.7
288.05902	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	287.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01858	0.8
55.05511	2.0
56.96562	1.6
57.03440	0.6
57.07068	1.3
67.01865	1.5
67.05511	3.7
68.99796	1.5
69.03426	1.2
69.07073	2.8
71.04994	0.7
71.55899	0.5
79.05496	4.0
81.07061	4.2
83.04987	1.2
83.08612	0.5
85.02911	0.5
85.06529	0.7
89.03917	0.7
91.05498	3.1
93.07053	3.6
95.04979	4.9
95.08609	3.8
97.06554	3.4
98.97589	1.0
98.98457	0.6
105.07025	4.7
107.04964	0.7
107.08616	4.0
109.06515	1.5
109.10156	1.8
111.08095	0.5
115.05497	0.8
116.98605	0.7
117.03375	0.9
117.07024	1.7
118.93977	0.4
119.08588	4.9
121.06541	1.1
121.10137	3.4
123.08047	1.0
123.11684	0.8
128.06223	0.9
129.07030	2.1
130.93274	0.7
131.08603	3.4
133.06483	0.7
133.10150	3.3
135.02032	0.4
135.04434	3.7
135.08081	1.1
135.11703	0.9
137.02350	1.0
137.09615	0.8
141.06912	0.5
142.07761	1.3
143.08578	3.1
144.09378	1.2
145.10141	4.2
147.04419	0.5
147.08049	1.0
147.11679	1.8
149.05980	0.6
149.09618	1.9
149.13335	0.6
153.01848	11.1
153.03128	0.6
155.08533	1.0
156.09351	2.2
157.10155	5.0
158.10896	1.0
159.08041	0.7
159.11713	4.9
160.12561	0.6
161.09608	1.5
161.13281	1.2
165.06960	0.8
167.08615	0.7
169.10124	1.5
170.10887	1.4
171.02873	1.3
171.11685	4.4
172.12468	0.8
172.94354	1.5
173.09625	0.8
173.13277	5.1
175.01578	2.8
175.14859	0.7
177.06822	1.1
179.03392	0.5
183.11610	0.5
185.09622	0.8
185.13306	3.4
186.14070	0.8
187.11215	1.2
187.14893	2.4
189.12764	1.7
190.95401	2.1
191.07057	2.8
191.10603	0.6
191.14250	1.1
195.11690	1.0
199.14917	1.3
203.14316	1.8
208.96465	0.8
209.13287	0.8
211.14883	1.8
212.85410	0.4
213.05481	0.6
213.12750	3.8
213.16457	0.6
223.14902	0.5
225.16444	0.6
227.14305	1.8
227.17900	0.6
229.15889	1.1
231.07935	0.6
231.13829	1.7
232.96457	1.8
239.14093	0.5
241.05046	1.4
241.19519	1.0
250.97690	0.9
251.17995	0.9
259.05627	0.5
269.04517	1.0
269.15958	0.9
269.19022	8.0
287.05524	100.0
287.16534	1.7
287.20074	14.9
287.23370	0.7
288.05902	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	287.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23017	0.6
55.05514	7.5
57.07072	1.5
63.00039	1.9
64.42168	0.7
64.99753	1.2
67.01862	2.3
67.05509	14.7
67.21964	0.6
68.99797	1.6
69.03428	1.6
69.07070	8.0
69.33672	5.0
71.04971	2.0
79.05502	4.5
81.07066	18.2
83.04984	2.0
83.08626	6.4
85.06533	1.2
87.04506	0.8
91.05492	2.0
93.07056	6.6
95.04999	0.9
95.08607	15.2
95.40858	0.8
97.06544	3.5
97.10175	4.2
98.97594	1.9
98.98473	2.6
105.07033	2.1
107.08591	5.9
109.10165	13.3
111.11722	1.3
117.03348	1.2
117.07011	0.7
119.08595	2.5
121.10143	9.3
123.11733	9.2
127.11189	1.1
127.61772	0.7
131.08607	1.6
133.10133	2.4
135.04425	5.0
135.11693	7.3
137.02330	1.7
137.13287	1.6
143.08575	1.3
145.10118	2.0
147.11710	1.0
149.13286	3.3
153.01843	10.9
157.06502	0.7
159.11688	1.8
160.02724	0.8
161.02380	1.4
161.13231	1.0
163.14798	1.0
172.94293	1.2
177.00603	1.1
177.06761	0.8
179.03503	0.9
181.36346	0.8
187.11328	0.7
190.95483	1.7
191.07036	2.2
201.16484	2.1
205.19455	5.0
223.20616	3.1
232.96696	0.9
241.21654	3.9
269.22693	1.1
287.05527	100.0
287.23627	2.9
288.05817	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	288.192
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
53.03963	0.9
55.05519	9.7
56.05038	1.2
56.96557	2.4
57.05812	1.3
59.83342	0.7
60.05627	0.9
67.05492	1.0
69.03442	1.6
69.07080	1.6
70.06582	5.6
70.66367	2.2
72.08161	87.1
74.06083	0.9
81.03456	1.0
81.07052	1.4
83.04995	1.0
84.08148	3.3
85.02921	2.4
86.06071	1.5
86.09711	100.0
87.04472	1.5
93.07012	1.1
97.02876	1.6
97.06506	0.9
98.06074	2.0
98.97592	3.4
104.07130	4.3
105.07037	1.2
107.04955	1.3
109.02936	1.0
109.06534	0.8
109.10145	0.9
111.04478	1.0
116.07059	1.3
116.98624	1.1
118.08665	3.8
120.08148	1.0
121.10162	1.0
124.07601	0.9
127.03942	4.8
128.98578	1.0
129.10246	26.4
130.86504	0.8
132.10202	11.7
134.54955	0.7
143.11806	37.7
157.09749	11.0
157.13370	24.0
163.03998	1.0
166.08369	0.7
170.08186	0.8
171.11301	9.2
175.04562	1.2
175.11938	1.3
177.00757	1.2
183.14919	0.8
185.12856	7.7
189.12346	11.3
215.11812	0.8
217.15535	2.1
219.35515	0.8
229.15468	5.4
231.17076	1.1
237.02942	0.9
252.15912	1.3
266.98099	0.9
270.13382	0.7
270.16910	0.8
288.05899	6.8
288.14636	1.1
288.17465	1.2
288.20273	3.1
289.07175	1.1
289.10669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10154	1.2
56.96557	4.3
58.99884	2.2
60.05652	1.5
62.30189	1.1
69.03408	1.3
70.03559	5.0
70.06578	4.5
70.99859	3.0
72.08154	1.9
73.51812	1.1
82.99839	8.9
84.04504	2.4
84.08121	4.4
85.02888	2.0
97.01399	4.9
98.20775	1.0
98.97578	4.5
100.07595	1.1
101.00892	72.0
101.83389	1.1
102.00915	1.0
110.97598	1.1
113.00880	5.7
115.02451	18.1
116.07078	1.5
116.98629	1.7
117.03980	2.7
119.01933	100.0
120.02026	1.6
125.00866	1.4
126.98782	2.9
127.02402	1.2
127.03907	1.4
128.98666	1.5
129.04012	5.3
129.10231	1.3
131.01073	1.1
131.01945	14.2
131.05539	1.5
133.03477	31.2
135.05013	1.2
137.02963	13.5
143.00151	1.4
143.01907	28.3
144.99858	2.0
145.03487	7.5
147.01387	4.0
147.05072	6.3
149.02963	2.8
151.04506	4.3
155.01903	2.6
157.03464	5.4
159.01439	3.3
159.04977	1.2
161.02979	59.2
161.06615	2.0
168.99825	12.0
169.03366	1.6
171.01378	9.9
173.02946	10.4
174.99153	1.2
175.00854	3.9
175.04535	2.5
175.11929	1.2
177.02432	1.8
179.03986	1.7
185.02974	5.5
186.99312	2.0
187.00906	22.8
187.04488	3.9
189.02446	12.3
191.04012	7.0
194.55724	1.1
196.99295	5.0
197.43243	1.0
199.00931	19.1
199.04610	2.4
201.02438	3.0
203.00328	2.6
203.04005	2.7
205.01968	8.8
207.03403	3.2
215.00385	27.7
217.01965	34.1
217.05302	1.3
219.03558	8.7
225.45589	1.2
229.01942	12.4
229.15501	3.2
230.15733	3.5
231.03459	3.5
233.01433	4.9
235.02867	1.9
245.01552	1.6
247.03036	25.1
251.93704	1.4
259.03046	2.3
265.04044	4.9
277.04092	6.2
289.04019	11.3
289.07593	10.2
289.20679	1.9
307.05051	6.6
307.08673	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	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55955	1.1
56.96556	5.2
57.03415	1.6
60.07669	1.1
69.03436	2.1
70.06579	4.6
70.99864	1.9
71.54528	2.2
72.08135	2.2
82.99844	6.9
84.04493	2.0
84.08151	5.4
85.02883	2.3
86.09715	2.1
97.01381	3.6
97.02909	2.0
98.97567	4.9
101.00889	77.0
102.01028	1.2
102.53207	1.2
110.97548	1.2
113.00868	8.9
115.02435	21.7
116.02523	1.5
116.07105	1.6
116.98567	1.8
117.04011	1.5
119.01927	100.0
126.98760	1.3
127.03946	2.3
128.98593	1.2
129.03983	6.7
129.54959	1.2
131.01907	16.9
133.03474	31.8
135.05002	1.1
137.02954	10.5
142.03505	1.3
143.01913	29.1
144.99806	3.4
145.03468	7.4
147.01431	2.6
147.05043	7.3
149.02995	2.6
149.27167	1.1
151.04510	4.5
155.01894	2.5
157.03433	5.4
159.01369	2.4
161.02971	63.9
161.06601	1.7
163.04541	1.9
168.99854	10.0
171.01393	10.1
173.02954	11.9
175.00864	5.1
175.04520	2.4
175.11928	1.9
177.02425	2.3
178.55098	1.8
179.02148	1.2
179.03915	2.3
180.17212	1.1
185.02940	3.5
187.00903	23.1
187.04448	5.4
189.02480	12.6
191.04030	9.7
196.99347	5.5
199.00873	18.3
199.04507	2.2
201.02443	3.5
203.00374	2.4
203.03922	1.7
205.02011	6.8
207.03522	2.4
215.00407	25.8
215.02455	1.5
217.01955	34.5
219.03493	8.7
221.05115	1.7
229.01962	12.6
229.05539	2.2
229.15434	4.4
230.15869	4.4
231.03445	2.4
233.01392	4.1
235.03006	3.7
245.01500	1.8
247.02972	24.7
257.05157	2.1
259.02975	2.0
265.04071	4.6
277.03967	4.9
289.04037	10.6
289.07547	7.7
307.05087	6.1
307.08847	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03949	9.8
55.01866	1.0
55.02604	0.5
55.05506	0.9
56.96554	1.3
57.03419	2.3
61.02933	1.8
64.78393	0.5
67.05508	0.8
69.03432	19.1
69.07071	0.9
69.40195	4.0
70.06580	0.8
71.04999	7.7
73.02924	5.2
79.05482	0.9
81.03419	28.7
81.07060	1.1
83.01338	0.7
83.04990	1.1
85.02908	39.0
86.09747	0.6
87.04454	1.3
91.03967	0.8
91.05470	1.2
93.07011	0.6
95.04971	1.1
95.08636	0.7
97.02897	48.7
97.06510	0.7
98.97577	1.6
99.04456	55.0
101.02386	0.8
103.03947	36.2
105.07027	1.3
107.04983	0.7
107.08612	1.0
109.02884	34.1
111.04456	0.8
115.03925	1.1
116.98605	1.0
119.01910	1.0
120.08150	0.7
121.06579	0.7
127.03920	100.0
131.04869	1.0
131.08591	0.7
134.99660	0.6
135.08093	0.7
145.04964	15.4
146.99583	0.5
149.05988	0.6
153.01738	0.7
158.99701	0.8
161.06007	1.0
163.03877	1.0
163.06068	0.9
167.07034	1.3
168.11307	0.5
169.03587	1.0
169.05000	2.3
185.13077	0.6
185.43561	0.6
187.04494	0.6
187.06033	5.8
211.20154	0.5
229.05359	0.6
253.07085	0.8
267.10846	0.8
271.07974	1.1
274.09961	1.0
289.06900	2.0
289.11353	2.4
299.84335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78341	0.5
71.45921	0.9
72.08157	1.2
81.40105	0.7
84.08176	0.7
85.02888	1.0
86.09709	1.3
98.31413	0.6
101.15235	0.7
114.40102	0.6
127.03905	2.5
130.05034	1.1
157.03528	0.7
177.65079	0.8
289.12607	100.0
290.72284	0.7
298.10718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84355	0.8
55.05514	6.7
56.05035	3.4
56.96565	2.0
61.02913	0.8
69.03428	1.8
70.06586	2.0
70.67114	1.9
70.67451	1.4
72.08163	89.4
81.03425	1.4
81.07037	0.9
83.04951	0.9
84.04514	67.3
84.08150	2.5
85.02912	3.5
97.02903	1.9
98.06086	1.5
98.97566	4.1
99.04443	1.7
100.11263	2.2
102.05545	1.6
105.07042	1.1
109.02815	1.3
110.09714	1.4
116.98623	1.5
118.08666	27.7
118.95231	0.8
119.01914	0.9
122.19607	0.8
126.05532	1.1
127.03930	23.1
130.05016	100.0
131.01987	1.0
131.04982	0.8
137.05988	1.3
137.10756	2.7
138.09163	7.3
144.13875	2.4
156.10219	15.6
161.05977	0.9
167.07085	1.5
172.06064	9.4
183.11259	3.7
184.09711	37.9
187.07797	0.9
193.46176	0.8
225.12392	1.7
229.11879	4.0
230.10075	1.7
230.15877	1.4
243.13448	11.2
247.13037	5.1
271.10480	0.9
271.13010	3.3
289.12582	3.9
289.21133	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	289.1798
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
55.01882	0.9
55.05492	1.9
56.96557	2.2
67.05508	4.4
69.03407	1.8
69.07056	2.5
70.59029	1.2
70.59391	1.2
73.20594	0.6
77.03966	0.7
78.70232	0.5
79.05511	3.1
81.03422	1.1
81.07046	5.4
83.08623	0.7
85.02896	1.4
85.48853	0.6
91.05483	5.1
92.47658	0.5
93.07041	7.1
95.04979	0.9
95.08611	5.4
97.02898	1.2
97.06522	3.3
97.10172	1.2
98.97594	5.0
99.04454	1.1
103.03899	0.6
104.34710	0.7
105.07040	2.4
107.04953	0.8
107.08607	4.0
109.02899	0.8
109.10181	0.8
109.16890	0.6
110.97559	1.0
111.08081	2.6
116.98607	2.0
117.07027	1.8
119.08583	6.3
121.06507	6.8
121.10131	0.9
127.03918	9.2
128.98651	0.6
129.06993	0.9
131.08556	1.5
132.05705	1.3
133.06401	0.7
133.10106	1.0
135.08032	2.5
143.08545	1.6
145.06508	3.7
145.10130	2.9
147.08052	100.0
148.08340	1.4
155.08531	1.2
157.10181	1.1
158.01891	0.6
158.07323	1.9
158.99680	1.4
159.08063	8.3
161.09619	4.7
163.07532	0.9
167.08597	1.0
169.10092	1.0
171.06651	1.1
171.08046	14.6
172.08849	0.9
173.09621	16.5
174.09949	0.9
174.12762	1.1
175.11182	0.9
177.00793	0.8
178.07802	1.1
179.08524	1.5
181.06516	0.8
181.10072	0.6
182.07208	1.3
183.08049	1.3
183.11809	1.1
184.08731	0.9
185.09644	3.7
187.11206	2.1
193.10193	1.5
195.08099	1.7
196.08832	2.0
197.09621	12.3
197.64052	0.6
198.10370	2.7
199.11137	3.0
200.10616	1.0
200.21492	0.7
205.12347	0.6
209.09641	2.4
210.10400	2.1
211.11177	11.5
212.11940	2.3
213.12753	14.1
215.18019	0.9
218.11740	3.4
223.11197	0.8
224.11888	0.7
225.12761	9.5
227.14346	4.9
229.15872	1.2
231.00557	0.7
238.13570	1.4
241.15794	0.9
243.17468	2.4
245.09412	6.5
245.59557	2.1
253.15903	23.7
254.10019	0.6
265.60718	0.7
268.09653	1.6
271.10770	1.2
271.16943	31.9
271.24304	0.9
277.10114	1.7
289.06277	1.0
289.11310	3.4
289.17990	22.2
289.21335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2165
Annotation	Gibberosin M
Peak:m/z	Relative Intensity
51.01559	2.4
55.01861	2.9
55.05519	22.2
57.03442	4.7
57.07070	9.3
59.05004	6.0
61.76057	2.6
67.05506	21.6
69.03422	5.0
69.07072	48.1
69.78829	14.2
71.04974	3.1
71.08650	2.8
77.04005	2.8
79.05487	8.2
81.07069	30.4
83.04993	26.1
83.08613	9.3
85.02927	3.3
85.06546	7.7
91.05481	23.2
93.07053	30.6
95.04963	11.6
95.08618	49.6
97.06528	9.3
97.10171	3.0
101.06020	4.8
105.07028	34.1
107.08622	19.7
109.06541	7.7
109.10169	24.6
111.08093	4.2
115.07614	2.9
117.07028	8.9
119.07793	4.5
119.08592	56.1
121.06492	6.2
121.10159	16.1
123.08044	4.9
123.11728	35.6
125.09650	4.3
127.03926	92.6
129.07047	5.0
131.08578	25.3
133.10150	39.4
135.08066	5.8
135.11713	10.9
137.09637	5.7
140.97714	2.6
142.07797	3.1
143.08568	13.6
144.09381	3.7
145.10123	44.8
147.08115	3.3
147.11710	20.1
149.09628	5.8
149.13199	3.7
155.08595	3.3
156.09328	4.0
157.10127	21.5
158.10902	3.0
159.11696	33.1
160.12532	3.6
161.06036	4.7
161.09625	3.9
161.13255	32.8
165.09108	7.5
167.10684	2.4
168.09271	2.3
169.10129	3.3
171.11732	13.9
173.09634	3.2
173.13303	22.8
175.11256	2.3
175.14844	63.6
176.15631	3.3
177.12689	4.1
177.16447	5.6
183.11742	9.6
185.13220	6.6
187.11044	3.8
187.14830	15.9
189.12778	6.9
189.16443	5.8
197.13312	5.9
199.14806	4.2
201.12775	8.1
201.16415	23.0
211.14835	3.2
213.16481	6.4
215.14343	9.1
215.18002	18.4
227.17981	8.6
229.19653	4.8
233.15404	3.4
243.21098	20.1
245.19066	6.5
253.19633	5.3
271.20648	21.4
289.18356	7.8
289.21667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1755
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.10240	0.4
55.05504	1.2
55.59153	0.4
56.05038	3.2
56.96567	3.8
57.07087	3.0
58.06593	1.5
59.05006	0.4
60.04539	0.5
65.03937	1.6
67.05511	9.8
69.07072	3.5
69.77994	2.5
70.06603	0.9
70.32217	0.4
70.85117	0.5
71.08632	1.2
74.06091	2.9
78.98264	0.4
79.05499	2.3
80.05035	0.5
81.07053	1.8
82.06572	3.2
83.04992	0.7
84.96048	0.5
85.10178	0.6
86.06086	0.4
88.07640	12.0
91.05462	0.8
91.52242	0.5
93.03403	1.9
93.07069	3.5
95.08605	1.5
96.98373	0.4
97.06535	2.5
105.07066	0.6
107.08599	2.8
109.10130	1.1
110.06052	29.6
111.04457	10.0
117.07020	0.8
118.08634	2.6
118.67612	0.5
122.08150	2.0
123.04431	1.9
127.03892	0.9
128.04248	0.9
131.03436	0.4
133.10144	0.9
135.11696	2.7
137.05975	2.9
138.05511	100.0
145.06506	0.7
147.61699	0.4
153.12784	0.5
161.05954	0.6
163.07584	1.2
175.07523	0.7
178.09543	0.8
208.10057	0.5
226.11168	12.1
242.24803	13.9
244.12224	6.2
249.12762	1.2
267.09076	1.0
267.13721	1.0
269.62198	0.6
270.72495	0.4
272.25940	0.5
273.14923	0.5
285.10251	0.5
290.17719	4.6
290.26910	30.4
290.29483	1.5
313.03467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	56.7
59.94410	15.6
69.94457	16.1
70.56960	19.5
70.57295	49.9
72.08148	35.2
84.04517	36.8
85.09058	18.4
98.97594	47.4
113.46244	22.5
115.75193	16.1
121.01707	18.2
128.07100	47.9
128.40077	17.6
142.63924	17.2
143.00131	30.6
156.06577	22.6
160.89885	17.5
161.01321	23.1
174.07675	21.9
189.00774	23.5
189.02336	18.9
213.00461	17.9
249.03035	19.2
254.28270	20.2
291.05356	23.7
291.08313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57138	3.9
53.86068	3.7
54.82119	4.0
56.00761	4.2
56.96570	100.0
57.03424	5.6
69.03424	12.2
69.80378	13.6
69.80786	7.0
70.06573	10.8
72.08152	11.6
73.02912	7.6
79.13737	4.1
83.94947	4.4
84.04507	16.3
84.96035	33.6
85.02903	27.2
97.02893	20.8
98.97590	95.0
100.99175	4.1
101.00888	13.2
106.55483	4.2
109.02826	4.7
110.97592	17.8
112.99115	6.0
115.00708	5.1
116.98637	32.4
119.01917	13.5
124.99145	33.9
127.03934	9.8
128.98604	11.6
129.05489	5.4
131.00185	5.2
131.01869	7.7
133.01631	4.0
133.03502	5.1
135.03236	4.5
137.05980	6.9
143.00175	65.1
143.01868	10.4
145.01695	6.0
147.01350	10.0
152.98578	8.8
158.99649	17.6
161.01224	40.2
161.02904	10.0
169.01692	6.2
170.99660	23.3
171.01199	8.1
173.01256	6.5
173.02911	6.9
174.99112	7.9
177.00705	16.0
179.02267	4.7
183.81076	4.3
185.01276	10.9
185.02884	6.0
186.99168	5.8
187.02823	6.8
187.56059	4.9
189.00697	23.0
189.02457	10.7
189.04108	4.4
191.02238	5.0
193.00183	9.8
201.00620	5.2
201.06473	4.4
203.02248	14.4
203.04077	9.0
205.00253	13.0
207.05386	4.5
213.00693	9.9
219.01772	12.3
223.01270	13.0
228.01598	4.5
231.01738	15.7
248.99284	10.0
249.02704	22.8
267.03897	12.1
273.02762	4.8
285.04965	7.2
291.03931	15.5
291.08279	43.4
291.15527	4.8
299.09753	10.2
309.04874	18.8
309.08304	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	291.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.7
53.03945	0.6
55.01876	3.2
55.05519	3.3
57.03445	5.6
57.08371	0.5
59.05024	1.1
61.02935	4.8
67.05511	3.2
69.03430	1.7
69.07075	36.5
69.82494	2.3
71.04998	1.5
79.05502	14.8
79.19616	0.6
81.03437	0.5
81.07067	3.0
84.06213	0.5
85.06551	2.3
87.08111	2.1
89.03928	8.0
91.05487	1.2
95.04984	2.0
96.35744	0.5
97.06543	95.9
98.06887	0.7
103.05515	1.0
105.03416	1.5
105.04466	0.6
105.07069	0.8
107.04946	2.5
107.08613	0.6
109.02895	0.6
111.08102	3.0
112.08930	0.7
117.03389	10.0
117.04141	0.9
119.67010	0.5
121.10155	0.5
128.06351	0.6
129.09125	3.7
131.05005	0.8
131.08566	0.6
133.02858	7.5
135.04443	11.5
141.07016	0.8
145.02859	8.3
147.04436	1.2
157.06534	1.5
159.04442	10.6
159.08051	1.0
161.02357	35.2
161.06009	0.9
163.03923	57.3
163.11217	0.6
171.04385	0.7
173.02362	82.2
177.05487	0.9
185.06013	3.8
186.03197	2.5
187.03847	0.7
187.07579	1.4
189.05424	0.7
191.03416	1.9
195.08072	0.7
197.06009	1.4
199.03978	0.7
200.04654	0.5
213.09175	0.6
215.07050	100.0
216.07408	0.7
231.08083	0.7
233.08116	2.3
239.88768	0.5
241.08664	7.1
259.07294	1.0
259.09695	8.9
273.11270	1.1
273.18515	0.6
291.09558	0.8
291.12646	3.4
291.19434	0.9
303.93149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01864	8.4
55.05508	11.4
56.96563	11.9
57.03432	9.7
57.07075	3.6
61.02937	2.2
61.71482	1.7
67.05499	14.9
69.03410	5.6
69.07071	37.7
70.78596	3.9
71.04983	6.4
73.02898	1.8
74.57958	1.9
79.05497	35.3
81.03430	2.8
81.07052	25.0
83.04976	3.3
83.08617	7.1
85.02934	2.8
85.06517	4.0
89.03908	5.9
91.05499	10.3
93.07052	16.4
95.04988	8.4
95.08613	19.1
97.02884	2.7
97.06533	70.8
97.10128	2.1
98.97572	7.0
98.98365	1.9
99.04444	2.0
103.05479	2.9
105.03400	3.1
105.07036	15.0
107.04938	6.1
107.08597	17.9
109.06511	5.8
109.10167	12.0
111.08079	7.9
111.11716	2.3
112.08862	2.8
115.05389	1.9
116.98611	3.0
117.03380	6.1
117.07011	5.7
119.08576	10.7
121.06496	3.5
121.10130	10.0
123.08075	4.1
123.11685	8.2
128.06233	2.2
129.06995	3.6
129.09132	5.7
131.04935	3.7
131.08568	6.9
133.02885	8.5
133.06516	3.8
133.10103	7.1
135.04420	12.1
135.08025	4.0
135.11656	6.6
137.09671	3.2
141.06985	2.2
143.00154	2.7
143.08578	5.6
145.02847	7.8
145.10121	7.6
147.04420	5.3
147.08139	2.3
147.11682	4.8
149.09636	3.4
149.13220	7.3
151.03827	2.6
151.07603	2.0
155.08475	1.8
157.10220	2.0
159.04420	6.2
159.11662	2.8
161.01195	3.1
161.02322	14.1
161.06033	2.3
161.13275	2.4
162.03099	2.7
163.03905	42.5
163.14844	3.6
165.12733	2.4
167.08444	2.1
171.08063	2.2
171.11702	3.2
173.02354	100.0
175.14854	2.1
177.00563	2.5
177.05455	9.7
181.10136	2.6
185.01163	2.3
185.06004	5.1
186.03174	2.1
187.03922	2.6
187.14722	2.3
189.00699	3.4
191.03471	9.4
195.08049	3.4
197.05988	2.4
197.75569	2.1
201.05588	2.3
205.04845	2.0
213.09160	3.5
215.07034	91.1
217.04910	3.6
219.08078	4.0
220.08781	2.8
222.89925	1.8
223.07416	3.8
231.07935	2.8
231.10034	2.0
233.08025	10.7
241.08621	28.2
248.08401	3.0
249.11230	1.9
255.17375	2.1
259.09683	26.6
261.09613	1.7
261.12491	6.8
263.10706	5.5
267.63498	1.7
270.12991	5.9
270.63040	3.3
273.11252	22.0
273.18454	6.4
273.22269	2.1
276.11694	2.0
291.06519	7.6
291.10062	17.0
291.13251	6.4
291.19620	16.9
291.23267	7.9
291.26862	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	291.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01629	0.7
55.01863	5.5
55.05518	5.0
55.05740	0.9
56.96560	3.0
57.03440	5.8
58.28892	0.8
59.04993	2.2
61.02915	3.5
63.63321	0.8
67.05504	5.8
69.03422	2.3
69.07072	37.1
71.04970	2.0
73.06556	0.8
79.05064	1.3
79.05496	18.2
81.03415	1.9
81.07065	8.4
83.04943	1.0
84.04504	1.2
85.02890	1.2
85.06545	3.1
87.04506	0.7
87.08098	1.7
89.03934	8.1
91.05462	4.7
93.07032	3.7
93.28651	0.8
95.04972	3.5
95.08614	3.5
97.06533	98.1
98.97587	2.4
98.98499	1.1
103.05476	1.8
105.03371	1.6
105.04507	1.1
105.07024	5.1
107.04951	3.9
107.08591	3.6
109.06516	1.0
109.10165	1.7
111.08080	3.3
112.08856	0.8
115.05442	1.3
116.98634	1.4
117.03385	9.0
117.07049	2.0
119.04958	1.2
119.08551	2.5
121.06475	0.9
121.10134	2.2
123.08080	1.9
128.06316	0.9
129.07030	1.5
129.09145	3.6
131.04959	1.8
131.08578	2.0
133.02864	7.8
133.10136	1.8
135.04419	12.5
135.08073	1.5
135.11676	0.8
141.06976	2.1
143.08664	1.4
145.02864	6.9
145.06485	1.1
145.10130	2.2
147.04424	2.9
151.07538	1.0
157.06493	1.7
157.10135	1.3
159.04419	10.4
159.08040	1.2
161.02347	38.1
163.03911	64.5
167.08549	1.0
169.06456	1.0
171.04359	1.1
171.08008	1.3
173.02348	80.4
177.05460	1.5
179.03572	0.7
185.05957	4.2
185.09668	0.9
186.03200	1.3
187.03915	1.6
187.07578	2.5
189.05446	1.3
189.12756	0.8
191.03455	4.5
191.08543	1.2
193.04951	1.2
195.01126	1.9
197.05952	1.8
202.07744	4.3
203.08653	4.6
203.10353	1.1
205.04842	0.9
213.09026	1.7
215.07028	100.0
216.07225	1.1
219.08063	2.0
220.08824	2.2
223.07599	0.8
229.08493	0.8
230.02406	0.8
231.08133	5.7
231.10098	1.4
232.08818	1.7
233.08076	4.6
241.08559	8.3
245.15521	0.9
247.07668	1.3
248.08374	4.2
249.02747	0.9
259.07434	3.5
259.09698	11.4
260.08316	4.9
262.09894	1.2
263.07788	0.8
263.10651	2.0
273.11163	1.4
273.18521	1.7
276.07910	3.3
276.11499	1.0
291.06735	3.5
291.10150	16.9
291.12665	2.8
291.19388	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	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05507	4.4
57.07072	2.3
59.04986	2.1
67.05505	3.1
69.03425	1.1
69.07064	1.7
71.05000	2.3
79.05487	5.1
81.07070	5.4
82.56435	1.0
83.04973	3.0
83.08627	3.3
85.06564	2.2
85.43315	1.0
91.05479	3.3
93.07056	8.7
95.04957	4.1
95.08603	11.8
97.06516	1.9
98.20759	3.1
105.07028	8.5
107.04971	5.1
107.08604	5.9
108.05757	1.6
109.06557	5.2
109.10168	2.1
111.08095	28.4
117.07004	1.0
119.08582	8.4
121.06527	1.8
121.10136	5.0
122.07317	1.4
123.08078	34.7
127.96778	1.0
129.06935	1.0
131.08559	5.2
133.06503	3.3
133.10109	6.0
134.77362	1.0
135.08072	5.1
135.11700	3.7
137.09613	3.4
142.07793	1.4
143.08556	2.0
143.40105	1.2
145.10149	13.7
147.08064	2.9
147.11687	6.4
149.09642	5.0
151.07555	100.0
156.09355	2.4
157.10135	4.0
159.08157	1.0
159.11722	3.2
161.09592	5.0
161.13249	2.4
163.11226	2.7
169.10188	1.1
171.11705	3.4
173.09641	1.6
173.13290	4.2
173.67114	0.9
174.10458	1.9
175.11188	4.5
177.09190	2.0
177.12830	1.6
179.10696	5.3
181.12381	1.3
185.89249	1.1
187.11211	2.7
189.12773	29.3
191.14354	5.1
192.11470	4.1
197.11766	15.4
197.13368	2.7
203.14374	1.8
205.12207	1.3
207.13817	66.1
213.16454	3.9
215.14325	4.5
217.12270	2.9
225.39404	0.9
227.85933	1.0
231.17412	2.1
233.15364	13.1
235.13478	1.5
255.17520	3.1
273.18460	6.5
291.19586	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.63365	1.2
55.01867	1.6
55.05511	7.1
57.07064	2.6
59.04997	2.7
67.05503	4.6
69.03445	1.7
71.04980	3.5
71.36479	1.6
71.74612	1.0
79.05502	7.1
81.07064	6.5
83.04976	1.4
83.08627	8.1
85.06577	2.2
91.05457	5.8
93.07056	9.5
95.04967	4.2
95.08611	12.5
95.10591	1.2
97.06540	3.0
105.07047	8.8
107.04965	12.2
107.08586	7.0
109.06525	6.8
109.10149	2.9
111.08085	38.1
113.09677	2.0
117.07040	1.5
119.07843	1.4
119.08586	9.4
121.06505	2.9
121.10130	5.9
122.07267	1.4
123.08064	33.3
125.09668	2.3
131.08594	5.6
133.06496	3.4
133.10138	8.9
135.08072	3.5
135.11707	2.0
137.09619	2.3
143.08641	1.6
145.10114	3.6
147.08041	3.0
147.11719	5.4
149.09641	6.4
151.07550	100.0
155.10625	2.3
157.10187	4.1
159.08055	1.8
159.11714	2.1
161.09639	3.8
163.11176	3.6
169.12234	1.8
171.11732	3.3
173.09596	1.4
173.13292	4.9
174.10446	2.0
175.11215	3.3
177.09161	2.7
179.10715	4.3
181.12218	2.7
181.50046	1.1
189.12759	26.8
191.10727	1.5
191.14314	12.2
192.11501	2.7
197.11745	15.8
197.13307	2.0
207.13809	65.5
211.13252	1.9
212.92155	1.0
213.16472	2.0
213.62128	1.0
215.14391	3.8
217.12280	4.5
221.89580	1.1
231.17470	2.8
233.15378	32.1
235.13399	2.1
249.18475	2.7
255.17542	1.4
273.18576	4.1
291.19568	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.47503	1.4
53.03948	2.4
55.01864	3.7
55.05508	10.6
56.96552	2.8
57.03437	3.2
57.07072	2.4
59.04994	1.7
64.58523	1.2
67.05511	8.8
69.03441	6.1
69.07070	16.4
69.36823	11.4
71.04985	4.4
71.08611	1.3
79.05075	1.3
79.05498	20.1
79.43523	1.2
81.03395	2.1
81.07053	20.1
83.04963	3.9
83.08618	7.7
85.06535	2.8
88.57285	1.2
89.71997	1.3
91.05482	14.2
91.06020	1.8
93.07050	31.3
95.04974	3.8
95.08593	13.9
97.06538	8.2
97.10167	3.6
98.97607	2.1
105.07029	20.4
106.38036	1.6
107.04964	6.9
107.08590	25.3
109.06521	29.2
109.10147	6.9
111.08070	3.0
111.11718	3.9
115.05379	1.5
117.07033	4.1
119.08577	9.3
121.06503	4.4
121.10146	42.8
123.08048	6.4
123.11684	4.0
125.09630	9.4
127.88483	1.3
128.06224	2.0
129.07010	2.9
131.08569	8.6
133.06487	3.0
133.10092	5.2
135.08047	16.5
135.11647	2.5
137.09683	3.1
139.11137	2.4
142.07771	2.0
143.08586	2.5
145.10097	6.0
147.08040	3.7
147.11668	4.2
149.09613	17.0
149.13242	5.7
151.07530	6.4
151.11192	1.8
155.08508	1.4
157.10054	6.8
158.10919	1.5
159.08022	3.5
159.11700	3.1
161.09595	4.3
161.13272	2.5
163.03886	2.6
163.11264	2.9
163.14847	1.5
167.10681	100.0
171.11728	4.2
173.09631	2.4
173.13216	6.2
175.11211	6.3
175.12498	1.4
185.13319	1.7
187.14803	1.9
189.12772	3.1
191.10721	10.2
191.14340	5.7
195.11638	1.5
197.13264	2.1
199.11139	1.8
203.14153	1.4
207.13811	5.1
211.14850	1.5
213.16536	2.1
215.07021	1.5
215.14340	4.6
217.12215	3.2
217.15863	2.8
227.14375	1.4
231.17404	2.3
233.15334	15.1
248.05566	1.7
248.08055	2.2
248.11990	1.8
249.18544	2.4
255.17432	4.1
262.41879	1.2
271.46643	1.4
273.18509	14.9
291.10046	1.6
291.13614	5.9
291.19543	35.1
291.22891	1.8
291.26871	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	291.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
52.24678	1.1
53.03935	5.3
55.05519	18.9
55.52385	1.0
56.35779	1.1
56.82286	1.2
57.07075	2.9
65.03945	1.2
67.05511	38.9
69.06719	1.4
69.07076	18.6
71.55868	1.3
79.05501	73.6
81.03418	1.2
81.07064	53.1
83.04977	1.7
83.08636	7.9
83.88942	1.3
85.06535	4.0
91.05486	28.3
93.07050	100.0
94.32890	1.2
95.04980	6.0
95.08617	34.8
96.08899	1.2
97.06545	2.6
97.10163	3.8
99.08066	2.1
99.34537	1.1
101.47563	1.4
105.04500	1.8
105.07041	19.0
107.04973	3.2
107.08604	63.9
109.06514	2.7
109.10156	15.4
111.08057	2.7
115.01740	1.1
117.07028	5.7
119.08588	16.2
121.06570	1.3
121.10152	48.2
123.08060	4.0
123.11723	5.6
125.09617	1.3
129.06984	2.3
131.08586	7.1
133.10138	15.4
135.08086	3.6
135.11708	55.9
137.09637	3.1
139.11189	1.4
143.08546	2.5
145.10100	6.4
147.04524	1.4
147.08075	1.1
147.11690	10.5
149.09619	3.6
149.13271	38.2
149.14497	2.0
151.07516	1.6
151.11229	2.2
157.10129	3.4
159.11708	5.4
161.13281	9.8
163.11180	4.8
163.14856	10.1
165.12787	1.2
171.11711	4.1
173.13225	3.4
175.11140	1.7
175.14833	4.7
177.12743	4.1
177.16473	2.1
185.13249	3.8
189.12708	2.9
195.13780	2.0
199.14854	2.7
203.10785	1.6
203.14403	1.9
207.13826	2.4
213.16444	2.6
217.16019	1.6
217.19542	2.5
221.15317	1.8
233.15370	2.3
235.16919	2.3
241.19554	6.5
249.18539	5.9
259.20566	10.3
291.19678	9.1
291.23172	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02370	1.2
53.03946	5.2
55.01859	1.6
55.05515	19.7
57.07065	2.9
59.04985	1.2
65.03940	2.3
67.05508	38.9
69.03452	1.2
69.07076	16.6
73.06536	1.4
73.60724	1.0
79.05496	70.2
81.07059	49.2
81.07462	0.8
83.04990	1.7
83.08618	8.6
85.06528	5.1
91.05487	30.5
93.07049	100.0
95.04991	6.1
95.05473	0.9
95.08611	34.0
97.06519	3.8
97.10157	4.4
99.08090	1.2
101.62736	1.0
105.04503	3.1
105.06377	1.8
105.07038	22.2
107.04972	2.3
107.08596	57.5
109.06518	2.8
109.10171	16.0
109.72135	1.2
111.08067	2.7
117.07037	5.2
119.08584	16.4
121.06518	1.8
121.10149	45.8
123.08088	3.2
123.11702	4.2
125.09625	2.3
129.07004	3.0
131.08563	7.4
133.10141	15.6
135.08052	2.2
135.11700	61.0
137.09592	1.9
143.08585	3.0
145.10156	5.8
147.11678	11.7
149.09616	3.6
149.13274	35.4
151.07512	1.5
151.11197	1.4
157.10104	1.9
159.11681	4.3
159.79948	1.0
161.09645	1.3
161.13260	9.1
162.32182	1.2
163.11200	3.5
163.14838	11.4
171.11670	3.1
173.13284	2.9
175.11183	1.2
175.14848	4.5
175.31081	1.0
177.12732	3.2
179.14279	1.2
185.13246	4.0
189.12746	2.6
194.53044	1.0
199.14735	1.5
200.54022	0.9
203.14323	1.8
207.13838	2.0
209.15332	1.3
213.16321	2.3
215.17902	1.1
217.15845	2.3
217.19485	3.0
221.15439	1.5
231.17403	2.0
233.15392	1.2
235.17084	1.1
241.19524	5.4
249.18500	4.1
259.20679	8.9
273.18613	1.1
291.19803	4.7
291.23203	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	293.0545
Annotation	1,3-Dinitropyrene
Peak:m/z	Relative Intensity
53.37196	1.7
55.05523	1.7
55.79118	1.2
56.96292	2.3
56.96565	36.1
57.03423	3.4
59.85202	1.6
61.02927	1.6
69.03431	4.7
70.06606	5.2
70.77243	4.1
70.98144	2.3
71.04985	1.5
71.95250	2.5
73.02920	1.6
84.04532	2.3
84.08164	1.6
84.96043	10.9
85.02905	8.7
91.39480	1.3
94.23682	1.3
97.02881	3.7
98.97591	100.0
102.21690	1.4
103.00658	3.5
109.02895	2.2
110.97581	34.6
112.99158	4.1
113.00857	1.4
116.03320	1.7
116.98627	29.5
117.02102	1.3
118.06920	2.0
119.01906	3.5
121.01678	3.8
124.99133	7.0
126.97112	1.6
127.03927	2.9
128.98615	22.9
131.00197	3.4
131.01918	2.2
133.01691	2.0
134.99692	4.3
140.98642	8.7
143.00189	14.1
143.01910	3.1
144.98108	3.3
145.01711	2.5
146.08221	1.7
146.99658	8.9
152.98593	17.3
155.00203	1.6
158.99699	12.2
161.01285	6.2
161.02872	2.3
161.07150	5.4
162.99173	2.1
163.02771	5.5
164.09270	2.0
170.99643	14.6
172.97636	2.1
173.01237	4.5
173.02754	1.6
175.02786	3.3
176.13635	1.4
177.00740	9.8
182.99704	5.4
189.00749	7.5
190.98656	2.7
191.02301	2.8
191.03973	3.8
191.05647	1.6
201.00699	11.1
207.01720	1.5
214.98744	1.3
219.01778	31.2
232.99673	2.4
233.03290	11.3
237.02859	28.3
251.00645	3.4
251.04420	84.9
252.04868	1.7
269.05475	22.9
274.05856	1.5
279.03818	3.2
293.05533	58.1
293.08948	4.8
311.06534	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73706	2.5
69.71618	14.3
77.05624	2.4
83.89806	2.5
92.98103	2.6
98.21449	5.1
152.12097	3.0
161.99527	3.5
190.34904	2.7
239.70146	2.5
253.44365	2.8
293.06357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1167
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03951	1.0
55.01888	4.8
55.05512	1.0
56.96574	4.5
60.04531	1.7
61.01156	11.9
67.05515	1.6
69.03455	1.1
70.06602	2.9
71.11565	0.9
71.11889	1.1
72.04524	12.9
73.02921	3.6
74.06077	1.0
78.03799	25.6
79.05509	0.9
81.03437	3.9
81.07058	1.4
83.04995	2.0
84.08155	1.2
85.02429	1.4
85.02916	18.6
86.06059	4.7
86.09738	0.9
95.08627	1.1
97.06572	1.5
98.02415	1.3
98.06078	1.1
98.97572	5.0
98.98521	0.9
99.04469	11.8
102.03779	42.6
103.02169	4.3
103.03952	28.6
104.01694	1.3
105.03417	2.9
105.07005	0.9
109.02906	6.1
112.07610	1.3
114.03774	3.4
114.05563	3.2
115.02161	1.2
115.08714	1.2
116.98608	2.0
120.04810	6.7
126.05531	33.4
127.03924	12.3
128.98653	1.3
131.06403	19.4
132.04802	15.4
134.99619	1.1
141.06613	1.6
145.04945	0.9
147.05908	3.2
149.07458	100.0
152.07094	2.9
154.08624	5.0
156.06573	2.1
158.02727	1.5
161.01215	1.2
175.05388	4.0
176.98929	0.8
180.06584	25.0
181.01360	1.1
189.51701	1.9
190.01811	1.6
191.08592	0.8
198.07623	8.8
205.06586	2.0
212.05763	0.8
216.08693	4.4
219.01820	1.5
222.07930	1.1
226.03467	0.7
231.11713	6.4
233.09554	1.7
237.02853	2.3
247.11363	1.0
249.03990	1.5
250.06296	0.9
251.04381	1.1
257.09647	4.1
265.81570	1.1
275.10645	3.5
276.08844	1.0
293.08472	2.9
293.11670	71.1
301.07199	1.4
302.07562	1.3
311.06583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03953	6.0
55.01880	23.4
55.05516	43.1
56.96561	3.7
57.03449	2.9
57.07084	14.8
64.13036	2.1
65.03947	2.2
67.05510	42.8
69.03434	2.9
69.07071	21.4
69.92982	7.0
69.93383	4.9
71.04984	4.5
73.00992	2.0
75.51671	2.1
79.05502	48.6
81.03421	7.9
81.07059	48.5
83.04551	2.2
83.04988	9.9
83.08625	15.3
85.06538	4.4
88.49442	2.2
91.05489	34.7
93.07056	36.5
95.04974	33.7
95.08617	32.9
97.06539	24.4
97.07506	2.4
97.10166	16.5
98.97599	5.5
103.05472	2.1
105.07039	38.3
107.04980	14.1
107.08606	69.8
109.06519	10.3
109.10176	17.0
111.04452	6.1
111.08084	5.3
117.07020	9.4
119.08586	20.2
121.06528	6.5
121.10142	16.9
123.08098	6.0
123.11738	4.2
125.08213	2.0
125.09639	14.3
131.08578	16.1
133.06479	2.5
133.10138	21.0
135.04367	2.2
135.08083	9.5
135.11690	7.3
137.05966	14.1
137.09615	8.2
139.11186	3.9
143.08635	2.2
145.10161	15.9
145.11099	2.6
147.11682	12.9
149.09619	22.3
151.11206	12.0
153.05470	2.7
153.12738	2.2
158.45453	2.4
159.11731	9.6
161.09718	3.7
161.13240	4.0
163.11220	11.6
165.09128	6.7
165.12842	3.4
167.76004	2.2
169.10168	2.4
171.10158	2.8
171.11658	3.5
173.11842	2.6
173.13269	7.9
177.12749	6.8
179.10780	2.6
181.04982	7.1
181.12311	3.0
183.11591	2.2
187.11128	3.4
189.11259	7.8
191.10715	10.5
195.10129	2.9
209.11653	14.1
219.13843	2.4
223.13333	5.9
229.19618	5.6
231.97440	2.3
237.11229	26.7
239.17853	3.8
239.81935	2.3
247.20599	7.1
257.19034	12.6
275.20090	100.0
293.21158	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	4.6
55.01870	6.9
55.05517	22.9
56.96568	12.6
57.03444	20.3
57.07070	3.7
59.07704	2.1
59.18158	2.3
65.03929	4.0
67.05508	36.1
69.03426	2.8
69.07072	20.4
69.36907	9.1
69.37328	8.5
71.04997	6.9
79.05495	58.1
81.03438	5.9
81.07069	44.7
81.43532	3.2
83.04983	8.4
83.08620	13.7
85.06540	9.5
89.42174	2.6
91.04967	4.3
91.05489	52.0
93.07051	62.6
95.04978	12.4
95.08611	31.4
97.06541	9.2
97.10183	11.4
98.97581	7.4
99.08128	2.7
105.07043	57.3
107.04950	7.1
107.08603	63.6
107.82187	2.7
109.06532	14.3
109.10162	11.0
111.08103	3.8
116.38028	2.5
116.88813	2.3
116.98642	6.6
117.07020	16.7
119.07806	3.1
119.08593	41.4
121.06507	7.5
121.10147	20.9
123.08080	4.8
125.09650	11.6
129.07091	6.2
131.08562	23.0
133.06468	2.2
133.10144	24.0
135.08084	6.6
135.11699	7.1
137.09601	3.0
139.11166	3.2
141.06938	2.9
143.08559	9.3
145.10114	21.2
147.08058	2.7
147.11699	19.3
149.01288	2.6
149.09618	15.4
149.13223	3.3
151.11160	7.1
152.22322	2.5
157.10141	8.2
159.11710	22.5
161.09686	2.7
161.13281	11.1
163.11174	8.6
165.12840	3.2
171.11687	4.3
173.13272	8.1
175.11223	4.8
177.12776	5.4
183.11719	4.2
185.13278	19.1
189.11151	4.5
189.12730	2.9
197.13301	4.6
201.12758	3.6
201.16389	8.2
203.14331	12.5
205.15909	10.3
219.17447	29.6
221.15350	19.8
229.19499	3.0
233.15489	2.4
239.17921	8.0
243.25240	2.8
245.25871	2.7
247.20615	3.8
251.04375	3.2
257.19006	22.8
275.20074	100.0
293.21164	27.2
293.27795	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03964	8.5
54.10389	1.7
54.42581	1.5
55.01632	2.1
55.01880	26.6
55.05518	27.8
56.96581	9.1
57.03434	7.9
57.07091	3.1
60.87928	1.7
65.03937	3.2
67.05511	49.9
67.77343	1.6
69.03415	5.0
69.07076	32.3
69.60382	11.4
71.04988	3.6
71.08620	2.1
75.25323	1.6
79.05064	2.8
79.05503	50.1
81.03439	16.0
81.07069	48.4
83.04978	9.8
83.08617	11.2
85.06552	2.9
91.05492	32.2
93.07061	37.1
94.06573	2.4
95.04987	21.1
95.08620	36.5
97.02930	2.0
97.06544	28.0
97.10202	11.5
98.21499	2.4
98.97602	10.4
99.08055	2.9
102.04661	1.8
105.06390	3.4
105.07039	35.2
107.04968	13.7
107.08608	53.7
109.06525	14.5
109.10159	18.8
111.08080	4.6
115.19980	1.7
116.98621	5.3
117.07042	9.5
119.08588	23.6
121.06514	6.7
121.10157	18.0
123.08085	12.2
123.11720	2.3
125.09666	11.3
129.06989	2.6
131.08572	11.8
133.06467	2.3
133.10147	20.6
134.99622	2.4
135.08061	10.3
135.11678	12.9
137.09630	7.7
137.13239	1.9
139.11154	3.0
141.06956	3.0
143.08543	2.8
145.06581	2.0
145.10143	13.3
147.08017	2.0
147.11723	13.2
149.09647	18.6
149.13293	3.9
151.11209	17.9
157.10176	3.5
159.11723	10.0
161.09578	3.1
161.13264	6.5
163.11195	6.5
165.09140	12.8
165.35997	1.8
169.10196	3.3
171.11673	2.9
172.95091	1.5
173.05063	1.9
173.13271	4.5
175.11183	2.4
177.12794	6.2
179.14307	2.8
183.11664	1.9
185.13245	1.8
187.11183	6.4
187.14825	1.9
189.11177	4.9
189.75255	2.0
229.19472	5.8
237.14917	3.5
239.17908	5.1
247.20619	8.8
251.04347	1.8
257.19019	14.5
265.22824	3.6
275.20099	100.0
293.05411	2.9
293.11310	1.9
293.21228	33.7
311.06635	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	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.01965	1.5
53.03931	4.3
53.34774	1.3
55.01878	11.6
55.05519	22.3
57.03443	2.6
65.03937	3.1
67.05177	1.8
67.05511	27.7
69.03429	2.3
69.07077	81.8
69.07456	4.0
70.79631	3.3
71.04998	5.0
74.99273	1.5
79.05505	30.0
81.03429	15.9
81.07068	31.4
83.04981	6.7
83.08631	4.9
85.02902	1.8
85.06535	2.5
91.05497	22.1
93.07062	36.1
95.04981	100.0
95.08614	20.7
97.06537	11.3
97.10164	6.3
105.07039	19.6
106.67495	1.9
107.04977	15.8
107.08601	20.3
109.06512	6.2
109.10193	7.2
111.08107	2.2
117.07057	7.1
119.08591	13.3
121.06509	6.4
121.10172	14.8
123.08067	4.2
123.11690	1.7
125.09631	3.6
129.06993	2.3
131.08572	10.1
133.10181	13.1
135.08072	25.2
135.11674	5.0
137.09639	2.3
139.11217	10.1
141.07013	1.5
143.08603	2.6
145.06412	1.6
145.10175	8.7
147.11673	7.2
149.09627	9.6
149.13225	1.7
151.11200	6.9
157.10191	3.0
159.11769	7.0
161.09666	4.2
161.13246	2.8
163.11174	3.7
171.11623	2.0
173.13251	4.8
177.12766	9.5
178.06287	1.8
183.11809	3.5
191.14333	2.9
201.12825	6.8
203.12827	7.0
205.25969	1.4
207.13774	8.0
219.13863	6.3
225.14905	4.3
233.11856	2.5
237.14893	36.3
239.18008	1.7
247.20677	5.1
257.19031	4.5
275.20096	58.5
293.21149	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	6.4
55.01871	11.7
55.05518	62.9
56.96564	4.1
57.03433	3.3
57.07074	3.0
59.05017	3.6
65.03944	3.2
67.05514	63.5
69.03425	9.9
69.07072	28.0
70.05829	5.2
70.06200	10.8
71.04993	7.9
79.05495	73.4
81.03416	9.2
81.07066	52.5
83.04981	11.7
83.08627	29.0
91.05492	39.2
93.07053	46.2
95.04982	25.8
95.05520	4.5
95.08620	49.2
95.98163	2.9
97.06545	13.6
97.10176	32.5
98.20789	3.0
105.07039	44.3
107.04935	10.5
107.08601	98.8
108.62514	3.0
109.06531	9.0
109.10142	23.8
111.08064	3.5
117.07028	12.8
119.08603	30.1
121.06516	4.0
121.10165	24.8
123.08071	6.6
123.11709	5.4
125.09629	20.7
131.08578	19.0
133.10135	27.2
135.08066	8.8
135.11720	7.1
137.09641	20.5
139.11174	9.0
145.10156	20.6
147.08055	2.7
147.11699	15.2
149.09627	23.4
151.11185	8.3
152.19899	3.1
157.10156	4.7
159.11700	11.3
161.09630	3.8
163.11188	13.9
171.10156	3.5
173.11812	3.9
173.13277	5.8
181.12314	3.7
187.11150	2.9
189.11226	13.5
189.12724	3.7
197.13246	3.7
203.12752	6.4
223.13243	4.2
225.14735	3.1
229.19493	4.6
230.72023	2.5
233.19244	2.9
239.17949	4.8
247.20547	5.9
257.18970	13.2
275.20093	100.0
293.21078	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03940	3.4
55.01880	12.7
55.05517	84.6
57.03444	10.0
59.04987	4.0
66.98183	1.7
67.05508	28.9
69.03442	10.1
69.07072	18.0
69.91527	4.2
69.91920	3.3
71.04997	1.9
79.05053	2.9
79.05499	35.7
81.03440	3.4
81.07068	34.3
83.05004	8.6
83.08150	2.9
83.08628	54.9
85.06551	4.6
87.85944	1.6
88.45051	1.5
91.05481	20.5
93.07055	24.2
95.04966	4.3
95.08617	11.6
97.06545	3.7
97.10181	100.0
98.21387	2.2
101.09679	2.1
105.07040	15.9
107.04974	1.7
107.08606	34.6
109.06518	6.6
109.10152	9.5
111.08099	4.2
113.27937	1.6
116.98679	2.2
117.07040	11.0
118.77674	1.8
119.08607	8.3
121.10155	14.3
123.08059	2.6
125.09637	88.4
131.08582	13.2
133.10144	12.0
135.08105	9.0
135.11661	4.1
137.09619	3.0
143.08568	3.8
143.10706	4.2
145.10124	5.1
147.11713	5.9
149.09663	5.7
153.09073	5.2
159.11757	2.4
163.11148	2.7
171.10194	11.4
171.11566	3.0
173.11722	2.8
173.13177	2.3
181.12270	3.3
189.11240	62.7
189.12936	3.7
201.16415	2.2
210.05209	2.1
219.17410	3.3
257.19019	4.0
275.20108	37.1
293.21133	27.7
302.25534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03940	2.4
55.01870	4.8
55.05512	13.2
57.03426	2.4
57.07059	2.9
67.05508	28.3
69.03411	2.6
69.07070	22.0
70.98580	2.2
71.04986	2.9
78.97005	1.0
79.05069	1.2
79.05496	19.1
81.03426	2.0
81.06580	1.9
81.07062	33.0
83.04988	7.3
83.08630	6.1
85.06525	2.4
91.05490	20.0
93.06472	1.5
93.07051	25.4
95.04964	9.0
95.08618	18.4
97.06549	3.2
97.10158	2.2
98.97591	1.5
105.07037	24.2
107.04958	7.6
107.08597	15.0
109.06515	11.3
109.10165	8.7
111.08076	2.2
117.07029	6.1
119.08578	14.2
121.06514	10.6
121.10158	8.0
123.08072	4.0
123.11694	2.6
125.09683	2.1
129.07005	2.2
131.08577	12.5
133.06491	1.6
133.10135	17.3
135.08073	4.5
135.11652	5.4
137.09628	3.1
139.33919	1.0
141.06987	1.3
143.08548	2.5
145.06439	1.3
145.10135	10.7
147.08032	3.3
147.11685	10.5
149.09595	5.3
149.13155	1.4
151.11192	7.7
155.08591	1.7
157.10092	3.2
159.08092	2.5
159.11731	6.9
161.09583	4.0
161.13254	3.1
163.11163	4.9
169.10088	1.5
171.11681	2.5
173.09671	1.4
173.13269	5.2
175.11217	2.2
177.12735	1.6
180.29192	0.8
183.11687	2.5
185.13425	1.0
187.11218	2.1
187.14856	1.2
191.14355	3.0
197.13248	1.5
201.12729	2.2
205.19661	1.8
207.13812	3.3
211.14743	1.2
215.18051	1.3
219.13811	5.9
229.19539	1.8
231.17470	2.0
233.15266	1.1
239.17921	2.5
247.20581	3.3
254.08066	0.9
257.19028	13.4
275.20074	100.0
276.20407	1.4
293.21121	26.7
300.40637	1.1
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	12-OPDA
Peak:m/z	Relative Intensity
53.03964	4.6
55.01872	13.7
55.05513	57.8
63.21023	2.1
67.05511	42.3
68.02136	2.6
69.03445	3.0
69.07072	14.9
70.78554	4.2
70.78893	5.1
71.05021	4.3
77.03966	2.2
79.05502	93.9
81.07065	33.5
83.05000	13.9
83.08635	21.6
89.59116	2.5
91.05489	31.7
93.07054	40.9
95.04975	8.5
95.08601	14.4
97.06522	2.5
97.10189	24.9
99.49870	2.5
105.07052	27.9
107.04964	47.9
107.08607	72.3
109.06544	3.4
109.10160	20.0
111.08088	5.0
112.20753	2.4
117.07063	5.7
119.08604	21.8
121.10158	18.3
123.08065	3.2
123.11738	5.4
125.09629	35.1
129.07079	2.5
131.08601	10.2
133.10138	16.6
135.08104	9.0
135.11726	6.6
145.10158	10.6
147.11684	12.4
149.09636	87.7
149.13341	2.5
151.11270	4.9
153.09180	4.6
159.11713	9.0
161.13278	7.0
163.11218	5.9
163.14967	2.5
169.12233	5.0
171.10243	6.7
171.11678	2.7
173.13284	5.2
187.13327	4.0
189.11259	23.4
215.17909	2.5
229.19601	7.2
239.17859	3.2
247.20723	2.9
257.19019	16.4
275.20090	100.0
293.21176	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	8.4
55.01627	4.4
55.01878	85.5
55.05515	66.7
56.96568	5.3
57.03458	7.0
57.07065	8.8
67.05509	56.9
69.03420	4.7
69.07072	32.5
71.01368	3.5
71.04987	8.8
71.08631	6.0
71.10873	6.3
73.06546	3.5
78.56666	3.5
79.05504	49.8
81.03427	27.5
81.07063	68.5
83.04982	18.2
83.08646	20.6
85.06552	9.1
91.05489	34.5
93.07046	43.5
95.04974	59.4
95.08617	39.8
97.02866	4.4
97.06535	9.3
97.10172	12.5
98.97588	7.3
99.04468	3.1
99.08099	8.3
105.07029	31.7
107.04964	33.7
107.08611	24.6
109.06536	21.6
109.10134	18.0
111.04430	12.6
111.08060	8.9
116.98615	4.7
117.07057	16.5
119.08616	22.0
121.06485	13.3
121.10143	23.7
123.08091	17.7
125.09644	100.0
127.07630	3.2
131.08566	19.8
133.06512	4.7
133.10123	21.2
135.08084	17.1
135.11705	10.9
137.09608	25.9
139.11163	3.9
141.06963	3.2
141.09097	4.6
143.08569	3.4
145.06459	5.0
145.10175	16.2
147.08008	3.6
147.11673	7.8
149.09618	25.0
151.11182	28.0
151.53181	3.1
154.91580	3.2
157.10153	4.8
159.08083	3.7
159.11717	14.5
161.09662	6.0
161.13260	3.6
163.11165	22.6
165.09100	4.1
167.10757	5.7
169.10069	3.8
173.13275	5.3
175.11148	5.4
177.12752	21.8
179.10791	3.4
179.14352	3.8
181.12247	8.6
185.86803	3.2
187.11241	5.3
191.10689	3.0
191.14313	13.4
193.12279	5.4
195.14014	3.1
209.11798	18.7
227.04080	3.8
229.02089	4.7
229.19539	9.0
229.68777	3.7
237.11200	9.7
247.20584	11.9
257.18985	12.9
275.20053	50.5
293.21167	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	7.4
55.01875	14.7
55.05510	28.5
55.66274	2.4
56.96564	13.9
57.03438	5.5
59.04986	4.5
62.39552	2.5
63.29147	2.3
65.03938	3.8
67.05176	3.0
67.05505	42.3
69.03419	4.4
69.07063	22.6
69.33890	19.2
71.04987	4.2
79.05497	42.5
81.03407	6.0
81.07061	54.4
83.04964	9.8
83.08594	11.0
85.06548	3.5
91.05484	34.5
93.07046	38.6
95.04976	12.4
95.08607	29.0
97.06538	20.3
97.10176	9.0
98.97601	4.2
101.06016	21.5
105.07030	33.8
107.04942	7.6
107.08606	28.2
109.06514	10.4
109.10142	18.1
111.08072	4.3
114.60706	2.4
115.05450	2.8
117.07009	12.7
119.08572	26.5
121.06501	7.0
121.10132	18.4
123.08070	5.4
123.11677	5.3
125.09628	6.6
129.07025	3.4
131.04898	2.6
131.08556	15.0
133.06497	2.8
133.10133	22.7
135.08043	8.5
135.11678	9.1
135.91452	2.4
137.09602	6.9
137.13318	2.7
143.00133	2.4
143.08612	2.4
145.10110	16.1
147.08040	3.1
147.11702	13.3
149.01274	2.6
149.02319	10.6
149.09615	22.4
149.13284	5.1
151.11174	8.3
155.08559	4.0
157.10062	3.9
159.11743	11.9
161.09560	2.7
161.13248	7.2
163.11165	9.5
165.09079	5.3
169.01636	2.6
169.10110	5.1
171.11702	6.0
173.13275	5.7
175.11182	3.0
177.12726	4.9
183.11604	2.9
185.01277	2.3
187.11192	2.9
190.07855	2.8
191.08560	9.4
197.13274	4.9
205.06479	3.8
206.05960	2.3
207.08136	2.2
209.90506	2.2
215.06631	6.9
219.08003	6.2
221.05804	2.8
229.19547	4.4
235.16876	3.1
239.17807	5.4
247.07558	14.4
247.20589	12.8
251.07147	2.7
257.19067	16.8
259.09769	2.6
275.16937	4.9
275.20056	100.0
278.12039	2.9
293.08011	6.1
293.11612	17.7
293.14697	5.8
293.21063	32.8
295.18787	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.41998	1.0
51.67430	1.1
53.03933	1.5
53.39633	1.2
55.05515	9.0
57.07076	3.5
62.79097	1.1
65.03932	1.8
67.05511	84.5
67.91733	1.0
69.07069	11.3
70.13397	4.2
71.08617	1.0
72.04608	1.2
78.65668	1.1
79.05492	17.0
81.07063	100.0
83.04975	1.2
83.08617	3.1
85.06531	3.0
89.45677	1.0
91.05470	5.2
93.07059	11.1
95.04980	2.1
95.08614	74.7
95.72606	1.2
97.06532	2.7
97.10132	1.9
101.06041	1.2
105.07032	5.8
107.08609	8.8
109.06482	2.0
109.10165	39.0
111.04442	1.6
111.08053	1.8
111.11717	1.2
117.07069	2.3
119.08582	5.6
121.10180	10.7
123.08099	2.4
123.11716	27.8
131.08578	5.5
133.10146	3.8
135.11716	6.4
137.09616	3.3
137.13289	10.7
145.10136	4.0
147.11690	4.8
149.09631	2.5
149.13269	3.7
151.11189	1.7
151.14822	3.6
153.05412	1.4
159.11723	3.6
161.13290	3.3
163.11252	1.8
163.14818	2.9
165.12653	1.4
171.76045	1.1
173.13281	4.5
177.12827	2.2
177.16417	1.9
179.14328	2.4
187.14839	4.1
191.10648	1.1
191.14336	1.4
201.16507	1.5
205.15898	1.3
209.11737	2.8
219.21173	1.2
223.16980	1.5
224.96025	1.3
237.11266	2.1
237.18533	1.9
243.21017	5.1
261.22174	8.2
264.29443	1.1
293.21338	4.4
293.24780	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	294.2069
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03961	0.4
55.01875	0.3
55.05501	0.7
56.63127	0.3
57.07067	1.2
66.04699	0.3
67.05507	1.2
69.07075	0.6
69.59955	2.1
71.08633	1.0
71.71764	0.4
79.05488	1.3
80.05833	0.3
81.07058	1.5
91.05494	1.2
93.07047	0.5
94.04197	2.3
94.36509	0.3
95.04980	0.3
95.08609	1.0
105.07042	0.6
106.54572	0.3
107.08585	0.6
108.08936	0.4
109.06540	0.5
109.10164	0.4
110.10502	0.3
119.08654	0.3
121.10126	0.3
122.03669	6.9
123.11691	0.4
129.27641	0.4
137.05992	100.0
141.12737	2.6
152.11545	0.4
158.15436	1.4
170.15407	0.5
225.35968	0.3
274.75296	0.3
276.20401	1.2
277.21542	0.3
294.21088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05508	0.9
57.07061	1.0
58.02946	0.3
64.27706	0.3
67.05500	1.5
69.07047	0.5
70.07424	0.3
70.13737	1.1
71.08631	0.5
71.17477	0.3
72.06976	0.3
79.05497	1.9
80.05820	0.4
81.03431	0.3
81.07061	2.9
82.07398	0.3
83.04985	0.4
91.05467	1.4
92.05795	0.3
93.07050	0.8
94.04179	2.4
94.07393	0.3
95.04979	0.8
95.08596	0.6
96.08937	0.4
97.06539	0.3
97.10185	0.5
97.58892	0.3
98.10516	0.3
98.20872	0.4
105.07026	0.5
106.07342	0.4
107.04993	0.4
107.08602	0.9
108.08926	0.9
109.06522	0.4
118.37727	0.3
119.08585	0.4
122.03651	7.6
122.10483	0.3
123.11722	2.0
134.10516	0.3
137.05981	100.0
138.06311	0.4
149.09596	0.4
149.13513	0.3
150.09950	0.4
152.11530	0.3
158.15424	1.0
170.15430	2.2
206.02351	0.5
210.12154	0.5
228.01984	0.3
238.11691	0.5
248.20917	0.3
255.55777	0.2
276.20425	2.8
294.21375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0966
Annotation	Glyzarin
Peak:m/z	Relative Intensity
53.44511	0.4
56.96524	1.7
69.81989	2.9
97.06474	1.9
105.06997	0.8
124.99094	0.8
133.51291	0.5
134.28362	0.5
143.00169	0.8
163.03928	1.2
165.06966	0.7
173.02280	0.9
176.04117	0.5
178.07828	3.8
179.08530	1.2
189.07045	0.9
190.07860	0.8
193.10092	2.0
195.07980	1.3
197.09509	0.6
202.07791	1.8
203.08681	2.3
204.61995	0.5
205.06422	1.6
206.07278	9.6
207.08041	1.6
210.06821	1.1
218.07266	1.4
221.06250	0.8
221.09634	20.3
223.11192	0.7
225.09087	1.8
231.08078	3.8
232.08809	0.9
233.09596	1.8
234.06767	18.9
235.07433	1.7
236.08376	1.9
247.07512	0.9
248.08351	1.5
249.09134	40.2
250.09489	0.5
251.06921	0.6
251.10686	2.9
251.13429	0.7
253.08650	3.1
259.07547	1.4
259.09900	1.2
262.06314	7.6
267.09970	0.6
277.08621	86.1
278.09067	0.8
280.07315	0.9
295.09680	100.0
296.10236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0968
Annotation	Glyzarin
Peak:m/z	Relative Intensity
50.42366	0.5
55.01855	1.7
55.05502	2.1
67.05524	2.9
69.07077	1.1
69.19268	0.6
69.58518	2.8
69.58927	1.2
74.22054	0.5
79.05500	1.7
81.07063	2.8
83.08615	1.2
90.18299	0.6
91.05477	1.1
93.07029	2.1
95.04996	0.7
95.08595	1.7
97.06538	1.1
97.10143	0.6
98.21481	1.1
100.42023	0.6
101.74464	0.7
102.54301	0.6
105.07037	1.0
107.08601	1.6
109.10153	1.0
111.08096	1.2
119.08598	0.9
121.10169	1.0
123.94724	0.6
147.11691	0.7
165.12727	0.9
178.07790	2.9
179.08568	0.8
189.07127	0.6
193.10159	1.8
195.08109	1.4
202.07841	1.6
203.08583	2.2
205.06436	0.7
206.07251	9.6
208.08974	0.9
218.07187	1.6
221.09630	16.7
225.08989	1.4
231.08113	2.7
233.09656	2.1
234.06784	16.9
235.07533	1.5
236.08322	2.6
241.19586	0.7
246.08957	0.7
248.08223	1.2
249.09123	33.9
251.06953	1.3
251.10713	2.9
253.08606	2.4
259.07547	1.0
262.06299	7.6
275.06793	0.6
277.08615	78.0
277.21695	3.5
278.08853	0.8
295.09677	100.0
295.22723	1.3
296.10052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0968
Annotation	Glyzarin
Peak:m/z	Relative Intensity
55.01871	1.2
55.05506	2.1
56.96568	1.5
57.97607	0.8
58.04535	0.6
58.63165	0.7
60.94817	0.6
62.53895	0.6
67.05505	3.1
69.07059	2.9
71.08629	1.0
71.55460	1.0
77.94273	0.6
79.05492	2.8
81.03409	1.2
81.07069	3.3
83.04992	1.0
83.08604	1.2
91.05492	2.9
91.15264	0.6
92.97049	0.7
93.07044	3.0
95.04975	1.3
95.08642	3.4
97.06509	1.4
97.10183	0.8
98.21538	0.6
99.08078	1.0
105.07032	3.7
107.08597	1.8
109.10159	2.2
119.08608	1.8
121.10136	1.8
131.08562	1.0
133.10143	1.5
135.11719	0.7
137.09615	1.5
147.11742	0.9
155.13783	0.7
178.07782	2.4
179.08496	1.0
191.08519	0.7
193.10152	2.7
202.07841	1.2
203.08650	1.4
205.06505	1.6
206.07301	8.4
210.06650	1.0
219.07689	0.6
221.09639	18.7
225.09111	1.4
228.53539	0.6
231.08092	2.6
234.06776	18.2
248.08356	1.0
249.09140	34.2
253.08617	1.5
259.07553	0.7
262.06281	5.6
267.03833	0.8
267.06836	0.7
267.10150	1.3
277.08630	50.0
277.21545	2.2
295.06467	3.7
295.09674	100.0
295.22659	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03009	0.1
56.96564	0.3
57.04555	1.1
58.02018	0.1
67.05508	0.3
67.15156	0.2
69.03427	0.4
69.07063	0.4
69.42493	0.9
69.42900	0.3
70.06584	0.4
71.52940	0.1
72.08146	0.2
73.02900	0.2
79.05461	0.2
81.03369	0.2
82.04089	0.2
84.04499	2.5
84.08133	1.5
85.02892	1.4
85.08459	0.2
86.09718	1.5
86.42793	0.2
87.08128	0.2
91.05476	0.4
94.03509	0.3
94.04056	2.9
96.05633	0.5
97.02892	0.3
97.06507	0.2
98.97594	0.3
102.05544	0.2
103.05463	0.4
106.04051	0.3
107.04977	0.2
108.04324	0.2
108.08129	0.2
109.05141	0.3
112.05062	0.4
119.03539	0.3
119.04909	0.2
120.08109	5.0
121.05119	0.2
123.06690	1.8
127.03909	0.3
129.10229	0.2
130.05025	0.2
131.04895	0.3
133.05098	0.9
135.05408	0.4
136.07590	0.8
137.31836	0.2
143.00201	0.2
144.10233	0.8
145.04962	0.4
148.03969	0.2
148.06201	0.5
150.07751	100.0
151.08102	0.2
161.12885	0.4
161.75211	0.2
163.03911	0.2
166.08649	1.9
181.04948	0.8
186.09125	0.3
189.13039	0.2
221.05847	0.2
223.09540	0.2
232.09679	0.2
249.02821	0.3
257.19550	0.2
278.10410	0.2
283.13593	0.2
295.11591	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1291
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
55.05498	0.3
56.05041	1.6
56.96545	0.6
69.07072	0.6
70.06573	0.8
70.76125	0.8
72.08144	0.7
74.47211	0.3
79.05486	1.2
84.04507	30.3
84.08130	1.4
85.02901	1.7
86.09701	0.5
88.03981	0.5
91.05451	0.8
92.49862	0.3
93.07038	0.7
94.04045	1.2
94.86160	0.4
97.02884	0.6
98.97596	0.5
101.01306	0.3
102.05558	0.8
103.05472	7.2
105.03397	0.6
105.07026	0.4
107.04938	3.1
120.08107	100.0
123.06689	0.9
123.23368	0.3
129.10249	0.5
130.05013	5.0
131.04915	3.1
132.97137	0.3
134.04552	0.3
136.07547	0.5
143.07176	0.3
144.42911	0.4
146.05968	0.4
148.03893	0.4
149.05972	1.8
150.06779	0.4
150.07751	31.4
166.08641	35.9
186.09145	7.1
196.10025	0.3
210.07269	0.4
226.59816	0.4
232.09697	4.4
267.03815	0.4
277.11841	0.4
278.10275	4.1
295.05634	0.4
295.13055	3.1
311.55872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1657
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
52.65590	0.4
53.03956	0.6
55.01863	0.7
55.05513	0.5
56.05017	0.4
56.96567	1.9
57.03432	0.6
58.16694	0.5
61.02922	0.8
65.03929	0.4
67.05499	0.5
68.77354	0.4
69.03436	1.9
69.07069	1.6
70.06589	1.1
71.54627	0.6
72.08142	1.1
73.02894	0.4
74.02439	0.5
79.05524	0.6
81.03421	1.0
83.04946	0.4
83.08591	0.5
84.04522	2.2
84.08163	2.5
85.02918	5.7
86.09713	6.0
91.03965	0.7
91.05489	24.8
93.07033	1.1
94.06586	0.8
95.04951	0.5
95.08585	0.5
97.02883	1.4
97.06550	0.8
98.97594	1.9
103.05508	0.5
105.03432	0.4
105.07036	1.9
107.04961	1.8
109.02867	0.9
109.06545	0.6
110.97618	0.4
116.98619	0.5
118.06535	1.0
119.04956	17.6
120.08111	2.5
121.06527	3.2
127.03938	1.6
128.98665	0.6
129.10251	1.1
130.05032	0.5
130.08649	0.6
131.55844	0.4
132.10207	1.7
136.07590	100.0
137.06001	0.4
144.10236	0.4
145.04987	1.0
146.06036	0.9
147.04457	0.6
150.07788	3.1
151.03926	0.7
161.10803	1.0
165.06964	0.4
166.08650	0.6
175.11136	0.5
232.13263	0.4
249.16005	1.8
250.14694	0.7
267.10355	0.5
278.13913	1.4
295.05887	1.4
295.08728	0.8
295.12756	0.5
295.16565	6.2
296.15921	0.6
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
50.66284	1.3
53.03928	2.8
55.01878	15.2
55.05517	26.3
56.96564	2.6
57.03446	2.3
57.07070	4.2
58.85607	1.4
65.03931	1.8
67.05511	46.3
68.05826	1.5
69.03429	2.1
69.07077	30.8
71.04993	5.3
71.08655	2.3
71.55109	2.1
78.42589	1.5
79.05503	22.3
81.03417	3.8
81.07065	39.3
82.07415	2.0
83.05006	7.3
83.08640	16.2
85.06550	4.8
91.05489	17.7
93.07056	30.0
94.04185	2.4
95.04977	5.6
95.08617	35.4
97.06534	18.6
97.10169	10.5
99.04515	1.6
99.08109	3.5
99.26834	1.7
105.07053	15.3
107.08612	20.9
109.06523	4.5
109.10168	18.9
111.08083	3.7
113.09651	1.5
117.07064	2.2
119.08589	13.1
121.10149	19.9
122.03691	8.1
123.04010	4.2
123.08051	3.9
123.11745	5.8
125.09634	8.6
129.07022	3.3
131.08577	5.9
133.10173	11.5
135.08112	1.9
135.11702	12.6
135.67566	1.4
136.93167	1.5
137.05989	100.0
137.09590	3.2
138.06326	85.6
139.11197	6.5
143.08626	2.6
145.10190	4.3
147.11716	14.5
149.09662	3.9
149.13275	7.8
151.11183	4.6
157.10156	2.7
159.11690	3.2
161.09644	1.9
161.13315	4.6
165.12753	6.5
171.11713	3.6
173.13319	2.8
175.11270	1.6
175.14828	3.3
185.04807	1.5
185.13290	1.7
189.00688	1.4
189.11209	3.6
189.12769	2.4
199.02216	1.5
203.05922	2.5
241.19582	4.3
249.22169	2.6
259.20618	11.0
277.21655	43.0
295.09583	3.2
295.16901	2.7
295.23016	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	Colneleate
Peak:m/z	Relative Intensity
50.92353	2.7
53.03942	5.2
55.01875	14.3
55.05266	2.9
55.05517	46.8
56.96573	3.4
57.03427	8.6
57.07067	7.1
59.04984	3.6
67.05510	100.0
67.42191	2.2
69.03421	6.2
69.06734	2.5
69.07076	38.6
70.66441	6.9
71.05000	6.8
71.08625	8.4
73.87707	2.2
79.05061	3.7
79.05500	50.2
81.03427	10.7
81.07066	74.6
83.04987	25.5
83.08626	22.8
85.06551	5.8
91.05489	30.0
93.07061	52.0
95.04974	21.9
95.08616	55.3
95.09134	1.2
95.25839	2.6
97.06526	10.5
97.10178	23.8
99.08112	8.1
105.07042	21.9
106.65555	2.3
107.04971	2.3
107.08614	33.7
109.06515	7.4
109.10162	32.2
111.08074	7.1
111.11707	3.4
117.07002	5.3
119.08605	15.4
121.10149	23.2
123.08053	6.2
123.11681	12.4
123.64989	2.3
125.09618	15.0
129.07013	5.5
129.35500	2.4
131.08566	4.5
133.10156	15.7
135.08080	4.0
135.11723	13.3
137.09592	16.4
139.11200	19.6
143.08568	2.5
145.10097	4.6
147.11658	14.5
149.09625	2.9
149.13271	10.6
151.11208	6.7
151.14764	2.9
153.12788	5.2
155.10727	2.8
157.10098	3.1
159.11638	4.0
161.13229	10.5
163.11147	4.3
163.14806	5.5
165.01682	2.9
165.12755	9.1
167.14403	4.9
171.11665	3.2
173.13231	4.1
175.14827	4.7
179.14322	5.7
181.12181	3.0
189.11205	6.9
207.13834	5.3
221.15562	3.1
231.21112	4.3
241.19514	5.2
249.22156	8.7
259.20505	10.6
277.21640	75.3
295.22690	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	7.5
55.01877	16.0
55.05518	46.6
56.96564	6.3
57.03434	6.9
57.07072	11.1
65.03944	4.2
67.05514	100.0
67.05876	5.2
69.03429	5.4
69.07070	34.9
70.13690	5.7
70.14052	5.5
71.04990	7.5
71.08630	11.1
79.05506	51.3
81.03436	13.2
81.07067	84.3
83.04993	21.4
83.08620	26.9
85.06533	6.7
85.10144	3.1
88.65201	2.6
91.05498	36.8
93.07056	65.2
95.04987	16.3
95.08617	58.5
97.06548	14.4
97.10187	30.2
97.22589	2.4
99.08142	13.5
105.07040	27.1
107.04945	4.4
107.08611	31.3
109.06531	8.4
109.10169	29.4
111.08097	13.7
117.07037	7.9
119.08588	23.2
121.10165	25.9
123.08089	9.3
123.11745	12.5
125.09639	12.2
129.07028	6.5
131.08592	10.6
133.10138	20.7
135.11693	20.7
137.09601	10.6
139.11180	17.0
145.10152	6.5
147.08047	3.4
147.11671	15.5
149.13260	11.8
151.11206	14.1
157.10167	4.1
159.11690	5.3
161.13310	9.0
163.14803	4.2
165.12810	8.9
167.14259	3.0
171.11656	7.1
173.11876	3.0
173.13232	5.8
175.02939	2.9
175.14761	6.4
179.08508	3.4
179.14391	6.4
185.13330	4.2
188.93912	3.0
189.11201	8.6
193.03928	2.6
193.12262	4.4
193.15921	2.6
221.15459	3.8
231.21153	3.8
241.19571	4.4
249.09108	4.3
249.22154	4.2
259.20691	8.8
277.08676	4.5
277.21649	80.3
295.09628	8.8
295.17267	4.6
295.22696	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	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.48375	2.4
53.03955	5.7
55.01879	6.4
55.05267	2.5
55.05521	47.2
57.03436	7.4
57.07075	8.5
59.05042	2.8
60.78797	2.2
61.77219	2.1
67.05513	100.0
69.03451	6.1
69.07075	26.7
71.04996	5.2
71.08640	34.5
79.05061	3.2
79.05506	52.2
81.03423	6.6
81.07071	75.4
81.65533	2.5
83.04985	13.3
83.08634	20.4
85.06551	5.4
91.05500	34.7
93.07058	64.0
95.04961	13.7
95.08623	44.6
97.06539	14.7
97.10188	26.6
99.08098	24.4
105.07043	23.7
105.96478	2.4
107.04963	6.2
107.08603	49.3
109.06511	4.9
109.10168	44.5
112.50478	2.2
113.06042	3.2
117.07045	6.6
119.08606	16.7
121.10165	33.8
123.08064	4.9
123.11730	5.5
125.09654	15.2
127.11239	2.3
129.07030	4.1
131.08597	6.2
133.10173	15.9
135.08046	5.2
135.11725	36.7
137.09616	3.8
139.11227	2.9
145.10144	7.1
147.11688	12.1
149.09665	2.7
149.13280	16.0
151.11188	14.5
157.10156	3.5
159.11725	5.4
161.13286	9.9
163.11197	6.1
163.14893	3.6
165.12820	3.4
173.13257	4.1
175.14767	2.9
177.12709	4.5
179.14346	69.2
185.13287	3.4
189.11223	12.7
189.12740	2.8
221.15331	3.4
259.20639	7.3
277.21667	49.9
295.09885	3.2
295.17114	2.7
295.22998	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	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03953	20.5
55.01882	6.4
55.05520	23.9
57.03445	4.3
57.07070	9.2
59.05010	4.2
64.96042	2.2
67.05174	3.9
67.05513	64.4
69.03434	3.1
69.07078	42.0
70.71374	5.7
71.08632	4.8
79.05502	37.4
81.03427	77.3
81.07066	63.2
83.04988	24.4
83.08626	12.5
85.10154	3.9
90.16138	2.5
91.05492	30.2
93.07062	38.6
95.04978	41.7
95.08608	25.3
97.06522	4.1
97.10181	7.1
99.08096	5.0
105.07044	24.7
107.08610	24.4
109.06515	8.5
109.10162	24.1
111.08068	3.5
119.08602	13.3
121.10143	9.2
123.11685	8.8
125.09615	8.6
131.08554	4.1
133.10156	21.8
135.08092	3.5
135.11728	3.3
141.09065	2.8
143.08557	2.6
145.10155	4.8
147.11676	13.5
149.13255	7.5
151.11198	67.0
153.09177	4.8
157.10153	3.1
161.13293	13.9
163.14828	4.1
165.12785	13.8
167.14197	2.9
171.11726	9.5
175.14842	5.0
179.07649	2.8
179.10683	3.0
179.14310	6.7
181.66489	3.0
185.13182	3.0
188.16397	2.8
193.12204	3.5
195.80464	3.2
198.30070	2.7
207.13696	4.3
217.19406	2.9
231.21071	11.7
236.99864	2.6
241.19560	5.8
249.22186	8.1
259.20541	6.6
272.69684	2.7
277.21674	100.0
277.24719	4.9
283.90009	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	296.1649
Annotation	Nuciferine
Peak:m/z	Relative Intensity
50.32019	0.3
50.71584	0.3
55.05560	0.4
59.60893	0.3
62.09523	0.4
67.05547	0.5
68.54435	0.3
70.06621	0.8
70.12077	1.7
71.05030	0.3
79.05595	0.4
79.70682	0.3
94.93039	0.4
96.08199	0.9
97.10232	0.3
98.09738	0.5
145.89742	0.3
165.07048	0.6
178.07913	1.4
179.08513	4.0
186.46036	0.4
189.07074	1.1
190.07753	2.7
191.08582	4.9
192.09348	0.8
193.10130	0.9
202.07890	1.5
203.08591	4.0
204.09425	0.7
205.06528	0.7
205.10100	2.3
206.07376	0.7
207.08057	6.6
208.08900	0.5
217.06525	2.3
218.07306	4.7
219.08070	10.0
220.08661	0.8
221.06039	3.6
221.09593	4.5
222.06842	0.8
222.10330	2.1
223.07623	0.6
231.08058	0.8
232.08897	0.5
233.09625	4.8
234.10416	31.6
235.07564	32.7
235.11256	1.4
236.08321	5.6
237.09128	0.9
238.09921	0.7
249.09158	3.1
250.09917	48.9
251.10231	1.3
253.12355	0.9
265.12256	100.0
266.12665	1.7
296.16428	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	297.0609
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
52.67658	0.4
53.03975	1.7
55.01894	1.9
57.03459	1.2
61.02951	1.0
65.03945	1.1
67.05507	2.6
68.32819	0.5
68.99798	3.8
69.03437	2.3
69.07101	0.5
72.84749	0.5
77.03953	0.6
79.01887	0.7
79.05508	3.9
81.03427	3.5
81.07080	0.8
83.05026	0.9
84.08201	0.5
85.02907	2.7
85.40173	0.5
86.88960	0.4
91.05476	3.4
93.03445	1.2
93.07085	0.7
95.04980	11.4
95.05553	0.8
95.08609	0.6
97.02892	4.6
98.20793	1.1
103.05502	0.9
105.03409	1.1
105.07057	1.3
107.04971	3.0
107.08624	1.0
109.02881	4.0
109.10166	0.8
111.00874	0.5
111.04474	0.8
115.05466	0.7
119.04967	0.7
120.11085	0.4
121.02883	6.8
121.03709	0.6
123.04451	8.6
123.05308	0.5
125.78532	0.4
127.03931	0.8
131.04955	1.3
133.02905	1.0
135.04433	9.8
135.11732	0.8
137.02338	1.1
137.05994	0.7
145.02841	0.7
147.04434	1.2
149.02373	2.8
151.03981	1.5
153.01846	21.9
159.04544	0.6
163.02776	0.4
163.03928	26.0
165.01862	40.3
167.03432	1.0
169.01353	0.5
175.03983	0.9
177.01872	11.3
177.05438	1.1
178.99831	0.6
179.03426	5.2
181.05026	0.8
183.02907	11.4
187.03864	2.2
189.01831	2.8
191.03412	51.6
192.03674	0.7
193.01337	1.3
195.02930	6.5
200.71011	0.4
201.05521	0.5
203.03387	4.9
205.04987	3.9
207.02904	3.6
209.04501	2.5
215.03398	4.1
219.02913	100.0
220.03273	0.6
231.02904	5.0
233.04462	3.0
237.04070	0.5
237.09091	0.7
241.12155	0.8
242.92029	0.6
243.02893	1.8
249.03989	12.2
251.10667	0.7
261.03979	15.6
264.11603	2.9
266.26883	0.5
279.05054	8.4
297.06042	23.2
297.09036	0.9
297.11520	1.2
312.11157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02754	1.4
56.96572	100.0
69.90154	5.0
71.95261	2.7
72.96060	4.2
83.04976	1.2
83.97634	4.6
84.08142	1.5
85.02929	3.7
91.05479	3.0
97.99200	2.0
98.97598	4.1
101.37697	1.2
109.81348	1.3
109.99153	2.0
110.18126	1.3
110.58213	1.2
112.00771	1.6
114.02252	2.0
115.00729	1.4
116.00265	1.8
116.98602	2.3
121.99171	13.3
124.00733	23.0
124.03974	7.4
126.02408	1.2
128.00241	1.6
138.02229	1.9
140.00209	65.4
141.37131	1.4
142.01782	80.1
142.05472	1.4
152.03908	2.1
158.01277	50.3
158.99750	2.0
160.02844	50.4
160.06470	1.6
166.07300	1.8
167.99716	2.7
176.02368	7.1
178.03883	3.6
184.06465	1.9
186.00764	26.6
186.56314	1.5
202.07475	5.2
204.01831	34.9
209.09636	6.6
214.07559	2.2
222.02972	9.2
225.09047	2.2
226.07561	7.1
227.10689	17.4
237.02814	1.5
244.08597	2.3
252.05551	2.1
253.08615	4.7
257.03296	1.5
270.06558	2.7
271.09692	30.2
289.10718	22.2
297.07684	8.3
297.14520	2.1
298.06006	4.5
298.09146	1.7
299.06238	2.5
315.08633	27.2
316.07034	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	297.085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	100.0
70.55791	4.0
72.96040	5.3
74.97601	2.4
80.93984	1.4
83.97635	4.0
84.08159	1.8
91.05491	4.2
98.97610	3.0
112.00724	2.3
114.02280	1.4
115.00698	2.2
121.99159	10.6
124.00741	24.3
124.03945	7.8
140.00201	64.9
142.01776	82.3
142.05489	2.9
158.01273	48.1
160.02838	55.7
160.06448	2.1
167.99643	3.2
176.02332	10.2
178.03906	2.8
183.04414	2.2
184.06482	3.3
186.00754	27.6
187.02733	1.7
202.07510	4.2
204.01826	40.5
209.09633	5.0
222.02902	10.0
226.07607	8.7
227.10698	17.1
233.05115	1.6
244.08551	2.9
252.05737	1.4
253.08725	4.0
270.06610	3.1
271.09668	29.6
280.05017	1.6
289.10754	23.3
297.07666	12.5
298.06177	6.7
298.09128	3.1
315.08667	27.2
316.06985	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1124
Annotation	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
Peak:m/z	Relative Intensity
55.01857	0.6
55.05505	0.5
56.96558	0.7
62.58155	0.3
67.05495	0.9
69.03448	0.5
69.07054	0.5
69.92966	0.3
70.89645	0.9
79.05479	1.3
81.07061	0.7
86.09711	0.6
88.80801	0.3
91.05067	0.3
91.05489	3.9
93.07040	1.3
95.04960	0.8
97.06524	1.3
98.97562	0.6
104.10711	0.6
105.07014	1.9
107.04974	1.6
109.06509	0.4
109.10170	0.3
115.05386	0.3
116.98645	0.3
119.04960	5.6
121.06513	14.4
129.07001	0.5
133.06506	6.8
135.04449	2.8
143.08572	0.8
145.06491	1.0
147.04430	4.9
148.05214	0.7
155.08583	0.5
156.09308	0.4
158.07291	1.2
159.08028	0.6
161.05981	8.5
165.07018	1.1
166.07799	1.1
167.08633	0.4
169.06485	0.5
171.08041	3.4
171.11656	0.5
173.05972	0.4
179.08559	0.5
180.09361	0.5
181.04941	0.8
181.10136	1.4
183.08098	1.4
184.07405	0.5
184.08859	2.3
185.09630	1.2
187.07559	1.4
189.05519	1.2
190.07782	0.6
191.08533	0.8
194.07248	2.0
195.08060	0.9
195.11676	0.5
197.05975	1.2
197.09583	0.9
198.06755	0.6
198.10434	0.8
199.07518	0.5
199.11194	6.2
201.05391	0.5
207.08240	0.5
208.08835	2.0
209.09621	4.8
211.07521	1.8
212.08342	1.9
213.09024	0.9
213.12660	0.9
222.06778	0.6
223.11203	1.9
225.09186	0.7
226.09943	1.0
227.10674	10.8
235.11047	0.5
236.08229	0.7
237.09149	3.6
238.09956	0.6
239.06950	1.6
240.07799	3.3
241.12263	1.5
251.10657	1.8
252.11378	0.5
254.09387	0.5
255.10182	23.3
262.24506	0.3
264.07886	0.4
265.08765	0.6
267.06433	0.8
267.13748	0.5
269.11716	2.3
279.10162	1.6
297.11230	100.0
297.16223	10.3
298.11475	0.9
305.24127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1125
Annotation	[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Peak:m/z	Relative Intensity
55.01863	0.7
67.05492	0.2
69.03432	0.3
87.63733	0.2
91.05492	0.3
93.58253	0.2
97.06510	0.4
105.06969	0.2
115.05417	0.3
120.66472	0.2
127.78450	0.2
153.06999	0.3
158.07265	0.2
165.07004	1.6
166.07654	0.4
167.08577	0.8
171.08147	0.3
178.07785	0.4
179.08597	1.2
180.09390	1.3
181.06497	0.8
181.10133	0.6
182.07225	0.3
183.08002	0.3
189.06972	0.9
190.07776	3.6
191.08578	1.1
194.07332	0.7
195.06468	0.3
195.08073	3.0
195.11754	1.7
197.09669	0.5
202.07829	0.7
203.08621	0.6
204.09416	0.4
205.06551	0.6
205.10129	6.1
205.11986	0.4
206.07292	0.2
207.08054	2.6
207.11687	0.3
208.08855	10.7
209.09587	2.0
210.06737	0.5
211.07588	0.5
212.08321	0.4
215.08644	1.4
217.09975	0.2
218.07292	7.5
219.08102	2.0
220.08913	2.1
221.05988	0.9
221.09627	0.4
222.06778	2.0
222.10229	0.3
223.07851	1.1
223.11191	8.4
224.08340	2.2
225.09149	2.1
227.10658	1.0
231.07893	0.2
232.08855	0.4
233.09631	11.7
234.10365	0.5
235.07565	2.0
235.11223	0.8
236.08345	19.5
237.09100	1.3
241.12160	0.3
246.06926	0.3
247.07545	0.7
249.09276	0.3
250.06326	0.4
250.09917	0.5
251.07095	1.2
251.07146	1.2
251.10693	34.8
252.11064	0.5
255.10094	0.4
261.09119	4.5
262.09592	0.2
263.07047	0.4
264.07822	2.1
268.07455	0.9
269.08078	0.3
269.11813	0.3
279.10190	46.1
280.10486	1.1
297.11237	100.0
298.11609	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1126
Annotation	[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Peak:m/z	Relative Intensity
50.69914	0.2
55.01859	0.8
55.05499	0.2
56.96555	0.2
60.93681	0.2
67.05494	0.3
69.03434	0.3
69.07061	0.3
70.06559	0.2
70.07808	0.6
81.07059	0.3
91.05476	0.7
95.04949	0.3
95.08587	0.3
96.08825	0.3
97.06549	0.3
98.97580	0.3
105.07039	0.3
105.11365	0.2
145.06458	0.3
153.06982	0.3
155.08501	0.3
165.07030	1.2
167.08592	0.5
171.08043	0.4
178.07806	0.4
179.08611	0.9
180.09346	1.1
181.06470	0.5
181.10150	0.5
181.65654	0.2
189.07040	0.7
190.07780	3.5
191.08485	0.7
193.10289	0.3
194.07298	0.6
195.08107	2.5
195.11673	1.5
196.08893	0.3
197.02972	0.2
197.09615	0.3
201.23689	0.2
203.08603	0.6
204.09389	0.5
205.06441	0.7
205.10139	5.2
206.07291	0.3
207.08054	2.1
208.08856	9.0
209.09648	1.9
210.06706	0.3
211.07617	0.3
212.08115	0.2
215.08653	1.6
217.10292	0.3
218.07298	7.2
219.08086	1.4
220.08830	1.8
221.06004	1.2
221.09511	0.6
221.98749	0.2
222.06805	1.8
222.10332	0.3
223.07542	0.9
223.11195	7.7
224.08360	1.9
225.09125	1.9
226.09891	0.2
227.10680	1.2
232.08853	0.3
233.09653	10.5
234.10320	0.5
235.07556	2.2
235.11145	0.6
236.08347	17.1
237.09163	1.6
241.12163	0.4
247.07573	0.7
250.06345	0.3
250.09879	0.7
251.07137	1.2
251.07187	1.1
251.10706	31.5
252.11032	0.4
255.10201	0.5
261.09149	3.8
263.07086	0.4
264.07867	2.1
265.08569	0.3
267.06503	0.3
268.07291	0.9
269.08319	0.3
279.10202	44.0
280.10419	0.8
297.11252	100.0
298.11597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1124
Annotation	[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Peak:m/z	Relative Intensity
50.00819	0.2
55.01875	1.1
60.10597	0.2
62.83887	0.3
65.03972	0.2
67.05460	0.3
69.03435	0.5
69.07065	0.8
71.56203	0.3
71.95172	0.3
81.07050	0.8
83.08704	0.2
88.87778	0.2
91.05483	0.8
95.08633	0.4
97.06503	0.4
97.67042	0.2
97.79391	0.2
98.97617	0.4
99.83475	0.3
104.61866	0.2
109.06503	0.2
109.10146	0.7
121.06528	0.2
121.10152	0.2
153.06984	0.3
155.08614	0.3
165.06993	1.7
166.07794	0.6
167.08612	0.6
171.08057	0.3
178.07735	0.5
179.08585	1.2
180.09331	1.6
181.06523	0.7
181.10146	0.6
182.58862	0.2
189.07002	0.8
190.07773	3.5
191.08539	1.7
192.09320	0.3
194.07307	1.2
195.08101	3.0
195.11722	2.0
197.03093	0.3
197.05804	0.3
197.09615	0.3
202.07732	0.7
203.08444	0.6
204.05800	0.4
204.09309	0.3
205.06523	0.9
205.10153	5.1
206.07196	0.3
207.08064	2.3
207.11646	0.3
208.06891	0.6
208.08847	10.0
209.09612	2.3
210.06793	0.5
211.07668	0.4
212.08441	0.2
215.04150	0.4
215.08611	1.2
217.09941	0.3
218.05200	0.3
218.07274	6.4
218.09267	0.4
219.08060	3.8
220.08842	2.0
221.06026	1.0
221.09386	0.3
222.06792	3.0
222.10210	0.3
223.07513	0.7
223.11185	7.0
224.08365	2.0
225.09142	2.1
227.10651	1.4
231.07967	0.2
232.08722	0.4
233.09622	11.1
234.10223	0.6
235.07571	2.5
235.10927	1.6
236.08327	19.4
237.09120	8.8
239.07086	0.4
240.99776	0.2
247.07457	0.5
249.09193	0.3
250.09816	1.0
251.07109	1.3
251.10680	33.1
253.12366	0.4
255.10309	0.5
261.09103	3.6
263.07092	0.6
264.07819	1.6
265.12274	0.3
266.12537	3.3
268.07275	0.7
269.11761	0.3
279.10187	42.4
280.10666	0.6
297.11234	100.0
298.11584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88273	6.9
53.03949	10.9
55.05507	20.9
57.03421	6.1
57.07074	13.0
62.04530	6.3
67.05516	43.4
69.07068	38.8
71.04992	7.3
71.55381	11.0
79.05489	32.2
81.07059	65.8
83.05015	9.1
83.08640	12.9
86.03606	6.4
91.05505	40.4
93.07049	84.6
95.04988	21.2
95.08612	86.3
97.06520	19.3
105.04516	6.9
105.07040	100.0
107.08607	55.5
107.35893	7.0
109.06506	8.1
109.10155	26.7
117.07001	7.3
119.08590	70.3
121.06532	21.8
121.10151	95.4
123.11728	68.9
123.93062	6.3
129.07018	9.6
130.07761	8.2
131.08574	23.4
133.10146	61.3
135.11697	22.3
141.06979	7.5
142.07811	22.7
143.08577	19.8
145.10161	48.7
147.11691	39.0
149.13260	7.8
156.09293	8.1
157.10133	65.3
159.11729	22.3
161.09615	26.1
169.10141	12.9
171.11728	23.6
173.09677	7.8
173.13307	10.1
175.11166	31.9
175.14886	18.1
181.10144	8.4
183.11664	7.3
185.13310	13.5
185.17505	6.5
187.14883	8.5
195.11668	7.1
199.14960	7.7
208.12419	8.1
209.13374	14.5
213.16296	10.7
223.14864	20.2
233.32321	7.7
279.21091	7.9
297.07556	17.4
297.21817	63.7
297.29541	14.8
298.31165	45.6
298.34076	8.6
316.06128	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	297.2429
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.01865	3.4
55.05515	18.3
56.96565	7.3
57.03429	3.9
57.07079	16.9
67.05177	3.2
67.05511	53.9
69.03415	4.3
69.07073	25.3
69.51214	15.0
71.04999	4.1
71.08637	100.0
79.05499	22.9
79.16505	2.4
81.07061	76.3
83.05003	4.9
83.08636	20.7
85.06538	6.8
85.10188	30.0
91.05482	38.5
93.07043	27.7
95.04994	3.3
95.08064	2.9
95.08624	52.2
95.80476	2.4
97.06540	8.8
97.10168	9.7
98.97591	18.3
99.08102	82.7
105.07038	27.9
107.08591	23.2
107.82101	2.4
109.06534	2.6
109.10172	20.3
111.08083	5.2
113.09649	44.5
116.98626	9.4
119.08607	15.2
121.10155	19.6
123.08104	3.7
123.11712	10.0
123.40775	2.2
125.09667	2.4
127.07505	2.7
127.11230	6.7
131.08582	7.2
133.06528	15.7
133.07413	3.6
133.10144	21.0
134.99631	4.2
135.08032	4.6
135.11707	12.1
137.13243	7.6
141.12782	4.4
145.10162	7.9
147.11702	45.8
147.50800	2.3
149.09648	6.2
149.13254	16.6
151.11156	6.7
151.14841	4.5
151.39877	2.3
153.12767	7.8
154.56555	2.5
159.11700	5.2
161.13290	6.1
163.11250	8.1
163.14822	17.0
165.12762	13.3
167.14342	8.3
173.13257	7.9
181.15904	8.2
185.04893	3.1
187.14772	2.3
195.17496	3.4
203.05945	3.7
214.06409	2.5
239.07037	5.2
241.12338	7.3
243.21191	18.8
243.23241	3.0
251.10608	3.1
261.22116	26.7
272.22165	2.8
274.97488	12.8
279.10110	6.7
279.20300	5.1
279.23212	75.5
292.98523	6.9
297.07571	18.1
297.11151	7.8
297.14313	2.6
297.18549	7.6
297.24258	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	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03952	2.9
55.01865	7.6
55.05518	51.2
57.03444	5.2
57.07068	7.1
59.05006	3.1
67.05511	74.7
69.03429	4.2
69.07075	80.3
70.21503	8.1
71.04996	12.4
71.08636	3.3
73.06548	5.6
79.05501	46.8
81.07063	99.6
83.04990	14.1
83.08630	15.6
85.06554	6.8
91.05476	19.1
93.07051	65.8
95.04956	2.9
95.08613	82.8
97.06525	20.9
97.06943	1.8
97.10173	24.6
98.97588	10.5
99.08086	3.1
105.07036	17.6
107.08603	25.9
107.17354	2.7
109.06554	3.9
109.10172	34.6
111.11744	6.1
116.98672	4.2
117.07011	3.5
118.68871	2.3
119.08615	8.4
121.06520	3.3
121.10162	50.2
122.18042	2.4
123.08115	3.8
123.11730	21.4
125.09644	8.2
125.15797	2.4
131.08580	8.2
133.10141	10.4
135.08058	6.5
135.11711	14.0
137.13251	7.3
139.11214	19.6
145.10150	7.0
147.11713	6.8
149.09576	2.3
149.13252	7.8
151.11224	5.2
153.12663	3.1
157.10179	5.0
159.11740	5.4
161.13293	4.1
163.14865	3.6
165.12794	4.8
167.14359	2.5
171.11888	2.5
173.13301	6.4
175.14822	2.4
187.13293	7.5
187.14819	4.9
189.11285	3.7
191.14336	12.5
195.13837	2.8
200.12393	2.3
203.12857	6.0
205.15810	3.1
209.15445	2.3
215.14328	2.5
223.17010	3.1
233.15422	23.4
233.22684	5.5
241.12289	2.6
243.21132	7.2
251.10881	3.2
251.84406	2.4
261.22119	32.8
265.18179	2.3
267.06613	2.5
274.97449	6.7
279.10068	2.2
279.23206	100.0
297.07562	6.7
297.10919	4.1
297.24249	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	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.07526	1.7
55.05516	18.0
57.03439	3.6
57.07086	4.3
67.05511	28.8
69.07072	13.8
69.34212	7.4
69.34642	8.2
71.05022	4.4
71.08636	100.0
71.32388	1.8
79.05497	15.7
81.07064	53.9
81.07522	3.1
82.21491	1.7
83.04993	6.0
83.08630	10.0
85.10226	2.2
91.05482	17.5
93.07066	15.9
95.08613	35.7
97.06544	7.0
97.10201	8.2
98.20791	4.5
99.08099	77.8
105.07039	16.2
107.08603	11.8
109.06544	2.2
109.10151	9.6
111.08121	2.7
113.09692	3.4
117.09109	2.0
119.08575	13.6
121.10138	12.4
123.08112	2.8
123.11728	4.3
125.09641	2.8
127.11253	3.2
131.08588	5.5
133.10165	2.9
135.11728	8.4
137.13286	4.7
139.11296	3.2
145.10178	5.9
147.11699	45.1
147.12776	2.6
149.09648	5.1
149.13316	3.0
151.14886	2.3
153.12776	7.7
159.11790	2.3
161.13327	3.7
163.11253	7.4
163.14816	16.7
165.12766	17.9
167.14366	5.2
173.13277	4.4
181.15901	7.9
230.30872	2.0
243.21115	11.2
261.22165	20.5
279.23163	46.4
297.07700	5.1
297.24393	4.4
297.36255	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	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03949	3.7
55.01886	11.8
55.05518	73.0
57.03440	6.3
57.07074	10.7
66.54623	2.4
67.05511	100.0
69.03424	6.9
69.07075	56.3
69.27366	20.8
71.04990	3.3
71.08630	10.1
78.56046	2.1
79.05504	42.9
81.07068	93.7
83.04988	7.8
83.08628	37.5
85.06544	6.9
91.05492	17.0
93.07047	45.9
94.04868	2.1
95.04999	3.2
95.08619	64.6
95.09227	3.5
96.89521	2.2
97.06539	12.2
97.10178	52.7
98.20711	4.7
99.08102	7.8
105.07064	10.9
107.08601	37.1
109.06532	3.0
109.10168	51.6
111.08124	4.0
111.11700	3.6
113.09633	3.4
117.07018	4.9
119.08598	10.3
121.06514	2.1
121.10163	13.3
123.08057	3.2
123.11716	17.6
125.09641	40.2
131.08601	7.7
133.10144	10.1
135.08107	6.1
135.11711	26.6
137.09637	3.1
137.13251	12.9
143.08687	2.7
145.10094	5.2
147.11655	6.5
149.13312	8.0
151.14830	3.1
153.12788	13.0
159.11716	5.8
161.13327	6.1
163.14828	4.9
165.12674	3.9
169.15862	2.2
171.10201	3.4
173.11794	5.4
173.13275	9.6
175.14867	2.6
177.12888	2.7
179.14307	2.7
181.12305	2.6
182.78235	2.2
183.13843	12.5
187.14792	5.0
189.11229	21.6
195.13815	3.8
209.15332	2.6
223.16978	4.0
233.22527	3.2
237.18430	2.4
241.12256	2.9
243.21187	11.0
245.43910	2.1
251.23788	4.6
261.22125	26.2
267.06573	3.2
271.51175	2.6
279.20322	4.6
279.23221	68.9
297.04300	2.4
297.07611	7.1
297.18695	4.5
297.21536	3.9
297.24362	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	298.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30625	0.2
53.03957	0.2
56.96562	0.8
57.03432	0.4
61.01153	0.2
69.03432	0.6
69.69676	0.5
69.70090	0.9
70.06597	0.3
70.36640	0.2
73.02926	0.5
78.03465	0.9
80.05027	3.6
84.04498	0.3
84.95968	0.2
85.02924	1.3
96.04500	2.0
97.02895	0.7
98.21424	0.4
98.97586	2.2
110.97574	0.4
116.98633	0.4
118.20361	0.3
118.39685	0.2
119.01865	0.5
124.03963	100.0
125.04306	0.8
126.97241	0.2
126.98267	0.2
128.98611	0.3
129.36064	0.2
136.06203	3.5
137.05959	1.8
140.00137	0.3
143.00076	0.3
147.04405	0.4
151.13087	0.2
151.74602	0.2
158.99715	0.4
166.07233	0.6
170.99670	0.5
178.09785	0.4
182.03406	0.5
191.03870	0.5
193.10901	0.7
199.04472	0.3
200.04599	0.3
208.04881	0.5
215.28922	0.2
219.01836	0.4
235.02707	0.4
239.11377	0.9
253.03842	0.3
298.09253	16.5
299.09482	0.5
302.90570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
56.96567	1.6
61.01139	0.2
69.03426	0.3
70.06590	0.4
71.17536	0.2
78.03458	0.7
79.04239	0.2
80.05022	3.1
83.97643	0.2
84.04489	0.4
84.96034	0.3
85.02906	0.5
85.67168	0.2
96.04501	2.0
98.97571	0.7
105.03397	0.2
124.03961	100.0
125.04298	0.4
128.98686	0.2
136.06197	2.7
137.06058	0.2
156.03311	0.3
162.60707	0.2
193.10934	0.3
212.06000	0.8
230.07047	0.7
234.11389	0.2
239.11356	0.6
256.04971	0.6
266.11777	0.3
270.06567	0.5
270.44089	0.2
274.05841	0.3
280.11841	0.3
298.09238	21.8
316.07037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82801	0.2
53.03926	0.2
53.93224	0.2
56.73423	0.2
56.96574	2.6
69.03428	0.3
70.06591	0.3
71.54784	0.3
72.08147	0.3
75.05395	0.2
78.03464	0.8
80.05028	3.9
84.04523	0.3
84.08152	0.3
85.02924	0.3
91.05473	0.4
96.04520	2.5
98.97601	0.8
116.98656	0.4
124.03968	100.0
125.04312	0.5
128.98610	0.3
135.90198	0.2
136.06201	4.3
140.00217	0.6
141.00539	0.3
142.01797	0.8
148.08775	0.3
152.05724	0.3
158.01207	0.5
160.02855	0.4
161.03136	0.3
166.07292	0.9
166.09825	0.3
169.76590	0.2
189.00671	0.2
193.10915	0.8
194.09364	0.3
204.01857	0.3
205.01984	0.3
205.03882	0.3
212.05992	0.8
237.03218	0.2
239.07129	0.2
239.11476	1.1
252.08630	0.6
256.04990	0.3
266.11966	0.3
272.10144	0.4
290.10999	0.3
298.09274	22.5
299.09320	0.6
316.09009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01154	5.1
62.97963	0.2
69.03429	0.2
69.75534	0.2
70.69019	0.6
71.22973	0.2
75.02391	0.2
75.02716	2.5
94.04050	0.4
97.02916	1.3
110.47392	0.2
119.03570	0.8
124.03955	0.2
136.06197	100.0
137.04604	0.5
137.06560	0.3
137.13599	0.2
145.03200	1.2
163.04269	1.2
179.42963	0.2
255.07112	0.2
261.66953	0.2
298.09753	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.5
55.01881	2.8
55.05310	1.3
55.05523	14.9
56.05056	6.7
56.96565	4.6
57.03458	3.0
57.07084	19.8
58.02966	7.3
60.04528	12.4
67.05515	18.0
67.55832	1.4
69.07078	16.3
69.77065	8.4
70.06593	2.2
71.05001	1.6
71.08632	10.0
72.04526	100.0
74.06079	6.3
79.05492	6.6
80.05052	1.7
81.03430	16.0
81.07076	17.1
82.06617	2.3
82.07407	2.2
83.04996	3.5
83.08626	12.5
85.10182	3.9
88.07619	4.3
90.67109	1.4
91.05492	7.2
93.07054	6.6
95.04976	5.1
95.08620	17.6
96.08926	2.1
97.06548	2.1
97.10186	5.8
98.97591	32.2
102.09189	3.5
104.93519	1.5
105.07009	2.9
107.08542	2.1
109.06508	1.8
109.10165	7.1
116.98625	23.1
119.08607	5.2
121.10153	6.3
122.49609	1.4
123.08078	2.7
123.11731	3.6
130.93210	1.3
133.10127	3.2
134.99680	6.1
135.11673	2.6
136.06194	3.8
137.09624	2.2
140.00243	1.9
147.11743	2.1
148.57359	1.5
169.31268	1.4
185.96210	1.6
190.95317	2.0
232.96429	2.2
242.24811	22.2
245.22656	2.9
250.97482	2.0
252.26903	4.1
256.96463	4.1
262.22601	2.4
263.23755	15.3
266.11819	3.5
269.24728	2.3
274.97531	32.3
280.23508	5.9
280.26337	33.9
284.06839	2.3
292.98599	15.3
297.99069	1.8
298.11438	2.1
298.27643	8.7
298.30563	2.7
299.09171	4.0
321.46951	1.5
323.08170	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	299.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
55.05515	3.2
56.96567	27.0
63.50396	1.5
65.57130	1.2
67.05504	5.0
68.63213	1.2
69.03421	2.0
69.07076	3.5
69.35426	7.6
69.35849	4.0
71.04985	1.3
71.95289	1.8
79.05507	3.3
81.03410	4.8
81.07078	8.0
83.04984	1.5
83.08659	2.0
91.05487	4.2
93.07059	2.8
95.04984	1.7
95.08627	2.8
97.06544	5.8
105.07030	2.7
107.08590	3.3
109.02875	1.9
109.10175	2.8
115.05418	1.6
119.08628	2.1
121.06486	1.7
129.06975	3.5
131.08575	2.0
133.10150	2.2
135.08148	1.7
136.07608	1.8
137.02661	2.1
139.00656	3.5
141.07097	2.5
143.08583	1.8
147.04468	2.3
147.07999	1.9
152.01225	2.0
157.01750	3.0
159.03249	2.0
161.06200	1.9
161.09618	1.5
165.06999	2.7
167.03815	2.7
168.05760	2.3
171.03331	3.7
171.08109	1.5
183.08115	2.8
185.04814	11.6
189.05540	2.0
195.08185	2.7
197.06123	2.5
199.06329	1.6
202.63750	1.4
203.05780	8.0
203.72473	1.4
207.08025	2.2
208.08609	1.6
209.09695	2.0
211.07773	3.3
213.05605	2.5
220.08536	1.6
223.06670	1.7
223.11201	2.1
225.12848	1.9
229.07417	1.7
231.06938	4.8
235.11194	1.5
237.08151	1.9
239.07115	1.9
239.10716	2.1
241.07484	2.0
249.07867	10.7
251.10670	3.4
253.08504	1.9
253.12326	7.8
255.09933	2.4
256.07266	2.7
263.10684	2.1
267.09055	100.0
269.11786	10.4
271.05975	4.2
281.11859	5.6
284.06793	16.8
285.10117	89.8
290.10617	5.5
299.05515	6.1
299.09140	27.5
299.12469	24.6
299.20056	2.2
308.11664	5.6
317.12747	10.6
319.08963	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	299.1282
Annotation	CHEBI:67436
Peak:m/z	Relative Intensity
52.64722	1.1
53.03951	1.4
55.05518	2.7
57.03440	1.3
57.21326	1.2
58.78142	1.1
67.05508	13.3
69.03458	1.9
69.07065	9.9
69.61433	8.2
79.05493	5.0
79.05923	1.2
81.03419	1.7
81.07056	2.8
89.03924	2.4
91.05476	7.6
93.07044	4.3
95.08638	2.0
98.21507	2.5
104.46077	1.1
105.07053	1.7
107.08611	1.9
109.10159	1.9
116.06259	1.7
116.10561	1.3
131.08604	5.2
135.04414	2.2
143.08640	1.7
145.02858	1.8
159.08066	13.4
163.03908	10.7
187.03812	1.9
195.08139	1.5
205.10147	2.5
208.08885	5.2
209.09644	2.1
213.05368	1.6
223.07498	1.5
223.11253	10.1
225.70952	1.3
233.09726	4.0
233.71709	1.3
236.08356	8.3
237.09128	7.6
238.09689	1.9
238.13658	2.0
239.10764	2.0
249.12857	2.2
250.09843	1.6
251.10701	69.4
263.10590	1.8
265.12335	3.4
266.13046	100.0
281.11703	4.8
281.19128	1.6
284.06839	6.5
299.09186	10.5
299.12805	4.6
299.20035	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	299.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14994	1.8
53.00325	17.0
53.03941	6.2
55.01879	14.0
55.05518	65.8
57.03189	3.2
57.03442	41.2
57.07066	8.5
59.05005	5.8
65.61765	1.8
67.05512	55.1
69.03407	6.8
69.07071	11.3
71.01364	15.0
71.04981	6.3
71.08629	5.1
71.55038	1.7
71.55489	3.0
73.02914	5.1
79.05505	32.6
81.03445	13.7
81.07071	55.5
83.04972	9.7
83.08627	34.3
84.43813	1.7
85.02200	1.7
85.02880	4.1
85.06529	5.5
85.10157	1.8
91.05491	60.1
93.07061	43.0
95.04967	13.5
95.08625	15.9
97.02902	14.1
97.06546	10.2
97.10191	5.2
99.00198	3.6
99.00828	66.1
99.04408	3.1
103.05485	5.4
105.06393	3.6
105.07047	48.3
107.04989	14.9
107.08606	26.6
109.02200	3.2
109.02881	26.9
109.06544	10.6
109.10171	20.5
111.04450	3.7
111.08076	10.7
113.06007	2.4
113.70782	2.1
115.03928	6.4
115.05431	2.5
117.07014	7.9
119.04951	4.4
119.07793	3.6
119.08598	40.1
121.06519	18.8
121.10146	2.2
123.04429	5.3
123.08038	6.0
123.11707	6.8
125.09695	2.4
127.03923	6.9
128.06201	6.0
129.07016	3.8
131.08545	6.0
133.06483	5.1
133.10149	99.8
135.08054	3.3
135.11710	3.8
137.05963	5.5
137.09575	4.4
139.07564	9.7
143.08607	11.5
145.06470	3.4
145.10133	4.2
147.08052	4.8
151.11218	35.8
152.00993	2.6
161.05937	2.9
161.09653	56.3
165.09103	3.7
169.12230	1.9
171.08101	12.2
179.10695	36.7
189.09129	35.2
197.11748	12.9
207.10196	16.7
207.22018	1.8
225.11249	47.6
227.07042	2.4
241.04976	2.4
243.10089	1.9
243.12282	7.2
256.07330	6.5
271.15381	4.4
284.06812	39.7
299.05902	2.2
299.09268	62.9
299.14886	100.0
299.20108	7.5
299.25754	9.3
300.09430	2.0
305.81110	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	299.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94886	1.8
53.00318	11.4
53.03948	4.8
55.01867	5.7
55.05269	2.9
55.05517	36.0
56.96575	12.6
57.01886	1.9
57.03445	25.5
57.07084	12.3
59.04996	4.5
59.35762	2.1
63.62369	1.9
66.29326	1.7
67.05513	26.2
69.03438	3.2
69.07082	17.0
71.01358	5.9
71.04987	2.1
71.08626	6.1
71.55099	1.8
71.55511	2.6
73.02911	2.3
79.05496	19.5
80.86447	2.0
81.03412	8.4
81.07066	36.5
82.76275	1.9
83.04984	7.8
83.08631	18.6
85.06538	3.6
85.10184	3.0
86.09716	88.9
91.05484	35.7
93.07053	31.4
95.04975	8.9
95.08616	11.8
97.02898	9.0
97.06523	8.1
97.10174	2.3
98.21441	1.8
99.00826	45.0
99.04446	2.5
103.05496	4.0
105.07047	30.5
107.04984	10.4
107.08603	13.6
109.02890	17.5
109.06530	5.8
109.10175	13.3
111.04440	3.2
111.08103	7.9
115.03938	4.8
115.05461	2.1
117.07006	7.5
119.04973	2.6
119.08619	16.3
121.06544	14.4
123.04434	2.7
123.08047	2.2
123.11719	5.4
127.03938	6.0
128.06262	4.4
131.08591	6.5
133.06520	4.0
133.10147	64.9
135.08104	3.0
135.11681	1.9
136.62207	2.0
137.05876	2.2
137.09599	3.6
139.07481	5.7
143.08542	9.9
143.44038	1.8
145.06529	1.8
145.10184	2.0
147.08018	2.5
151.03877	2.0
151.11205	23.2
153.06963	1.9
159.07948	2.2
159.11700	2.3
161.06020	3.8
161.09622	36.8
163.11211	3.7
165.09161	3.3
171.08067	7.3
179.10707	21.2
186.14920	5.3
189.09114	22.4
197.11702	9.1
201.07254	1.9
207.10188	8.5
213.05545	2.2
222.99471	2.2
225.11243	32.5
227.07149	2.8
239.06996	4.2
241.04973	3.0
243.12302	3.9
256.07370	8.3
260.06107	2.3
261.55182	2.6
265.75488	2.0
269.04550	2.9
276.04346	2.1
283.06009	2.4
284.06836	53.5
287.10062	6.0
291.64532	2.0
296.10583	2.9
296.60944	4.6
298.61096	2.4
299.05835	4.7
299.09183	100.0
299.14792	60.1
299.20148	5.2
299.25928	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	299.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	14.7
53.03945	5.8
55.01875	11.1
55.05517	47.5
56.96574	13.0
57.03440	38.2
57.07079	17.1
59.05003	8.0
67.05510	35.6
69.03433	6.4
69.07075	28.7
69.40147	21.9
71.01358	5.7
71.04992	5.0
71.08643	9.5
78.12300	2.6
79.05495	26.2
81.03430	13.7
81.07066	51.1
83.04984	8.6
83.08629	26.9
85.06543	4.1
85.10195	4.2
86.09715	100.0
91.05489	49.9
93.07050	35.1
95.04985	11.9
95.08603	18.2
97.02895	10.8
97.06547	10.1
97.10188	4.5
98.20690	4.8
98.97566	5.2
99.00827	58.3
99.04482	2.8
103.05476	6.3
105.07047	48.5
107.04977	16.9
107.08601	19.0
109.02898	24.1
109.06532	10.0
109.10162	17.5
111.04501	4.9
111.08100	8.8
112.07597	3.1
115.03944	8.1
117.07036	7.0
117.18024	2.9
119.04887	2.7
119.08582	27.6
120.19432	2.7
121.06533	20.7
123.04471	5.1
123.11723	8.5
127.03932	7.4
128.06261	5.0
129.07027	3.3
131.08588	5.7
133.06566	3.6
133.10146	95.7
135.08037	5.8
135.11699	2.6
137.05972	4.8
137.09660	4.1
139.07568	6.5
141.56621	2.5
143.08575	11.7
145.10135	6.0
147.08112	4.5
151.11214	34.3
151.12354	4.8
161.05914	3.1
161.09644	50.7
163.11050	2.9
171.08110	11.1
179.10698	33.1
183.08180	3.5
186.14978	5.7
189.09108	33.4
194.94371	2.5
197.09421	2.5
197.11746	12.0
207.10179	8.8
213.05444	2.8
225.11238	46.5
228.08026	3.8
239.07071	4.2
243.10150	4.7
243.12318	5.1
248.92737	3.1
256.07355	7.5
284.06805	44.1
287.10199	6.8
296.10648	8.2
296.60901	3.8
298.60977	3.7
299.09219	84.9
299.14880	76.6
299.20193	7.5
299.26004	20.3
300.09549	4.3
307.61914	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	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	19.8
53.03931	7.8
55.01881	10.3
55.05519	57.1
56.36098	1.8
57.03442	43.0
57.07056	6.5
59.04989	6.9
65.03934	3.1
67.05512	34.4
69.03416	6.7
69.07064	7.8
71.01347	7.2
71.04984	2.9
71.08610	3.5
73.02907	3.7
79.05119	2.3
79.05499	22.3
79.38904	2.0
81.03438	10.1
81.07064	51.0
83.04974	8.1
83.08217	2.5
83.08631	32.9
83.25403	2.0
85.06550	2.9
91.05486	56.7
93.07047	40.8
95.04984	11.9
95.08618	10.0
97.02897	14.4
97.06535	8.8
97.10153	5.5
99.00197	3.7
99.00828	68.4
99.04449	2.4
99.08073	2.4
103.05458	4.6
105.06379	3.7
105.07040	49.2
107.04955	17.6
107.08605	19.0
109.02895	33.3
109.06499	7.9
109.10166	14.7
111.04436	3.8
111.08086	11.3
115.03915	8.6
117.06992	6.9
119.04986	3.7
119.08591	29.2
121.06522	19.2
123.04469	2.7
123.08078	2.8
123.11723	5.1
127.03899	7.0
128.06221	5.5
129.07014	4.3
131.08528	4.1
133.06487	5.7
133.10147	100.0
135.08034	2.6
137.05974	3.8
137.09607	4.7
139.07529	10.6
143.08572	9.7
147.08041	3.5
151.11194	34.8
161.09637	59.8
165.09151	3.6
165.58521	1.9
171.08110	9.5
171.90375	2.2
173.13309	2.4
179.10703	32.9
189.09137	39.2
197.11736	12.5
207.10141	14.3
215.24480	1.9
225.11261	46.7
229.24384	2.4
239.06842	2.2
241.04878	3.3
243.10049	3.2
243.12299	8.0
256.07245	5.7
284.06827	50.0
299.05798	3.4
299.09244	71.6
299.14871	96.1
299.25955	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	299.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14994	1.8
53.00325	17.0
53.03941	6.2
55.01879	14.0
55.05518	65.8
57.03189	3.2
57.03442	41.2
57.07066	8.5
59.05005	5.8
65.61765	1.8
67.05512	55.1
69.03407	6.8
69.07071	11.3
71.01364	15.0
71.04981	6.3
71.08629	5.1
71.55038	1.7
71.55489	3.0
73.02914	5.1
79.05505	32.6
81.03445	13.7
81.07071	55.5
83.04972	9.7
83.08627	34.3
84.43813	1.7
85.02200	1.7
85.02880	4.1
85.06529	5.5
85.10157	1.8
91.05491	60.1
93.07061	43.0
95.04967	13.5
95.08625	15.9
97.02902	14.1
97.06546	10.2
97.10191	5.2
99.00198	3.6
99.00828	66.1
99.04408	3.1
103.05485	5.4
105.06393	3.6
105.07047	48.3
107.04989	14.9
107.08606	26.6
109.02200	3.2
109.02881	26.9
109.06544	10.6
109.10171	20.5
111.04450	3.7
111.08076	10.7
113.06007	2.4
113.70782	2.1
115.03928	6.4
115.05431	2.5
117.07014	7.9
119.04951	4.4
119.07793	3.6
119.08598	40.1
121.06519	18.8
121.10146	2.2
123.04429	5.3
123.08038	6.0
123.11707	6.8
125.09695	2.4
127.03923	6.9
128.06201	6.0
129.07016	3.8
131.08545	6.0
133.06483	5.1
133.10149	99.8
135.08054	3.3
135.11710	3.8
137.05963	5.5
137.09575	4.4
139.07564	9.7
143.08607	11.5
145.06470	3.4
145.10133	4.2
147.08052	4.8
151.11218	35.8
152.00993	2.6
161.05937	2.9
161.09653	56.3
165.09103	3.7
169.12230	1.9
171.08101	12.2
179.10695	36.7
189.09129	35.2
197.11748	12.9
207.10196	16.7
207.22018	1.8
225.11249	47.6
227.07042	2.4
241.04976	2.4
243.10089	1.9
243.12282	7.2
256.07330	6.5
271.15381	4.4
284.06812	39.7
299.05902	2.2
299.09268	62.9
299.14886	100.0
299.20108	7.5
299.25754	9.3
300.09430	2.0
305.81110	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	299.2009
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.43148	1.4
53.03943	2.3
55.01875	2.5
55.05512	12.3
56.96564	3.8
57.03436	2.4
57.07068	4.5
57.20665	1.4
59.04991	1.8
61.25088	1.4
64.49461	1.4
65.03932	1.6
67.05513	14.5
69.03425	11.6
69.07084	7.4
69.85735	7.0
71.04983	4.6
79.05499	11.7
81.07061	16.0
83.04974	4.9
83.08635	9.9
85.06549	3.1
89.89462	1.6
91.05487	18.9
93.07045	14.4
95.04366	2.2
95.04978	43.5
95.08629	9.2
97.02879	1.8
97.06516	7.6
98.97571	4.7
99.00831	3.0
105.07040	25.8
107.04963	2.1
107.08614	24.8
109.02866	1.5
109.06516	20.6
109.10153	10.9
111.08081	2.4
113.92909	1.3
115.05458	2.3
116.98631	3.8
117.07023	9.9
119.04911	1.5
119.08595	57.8
121.06522	8.3
121.10164	7.2
123.08073	4.5
123.11665	2.1
125.09630	4.5
128.06238	3.4
129.07011	4.1
130.07809	5.4
131.08583	12.3
133.10143	19.7
135.08072	22.8
135.11728	4.7
136.08829	3.0
137.09641	6.1
141.06975	2.4
141.94876	1.5
142.07803	6.2
143.08571	16.2
144.09346	2.2
145.06442	2.0
145.09041	3.3
145.10136	43.7
147.08023	4.0
147.11714	4.0
149.09584	4.4
151.07568	2.1
151.11160	3.5
152.01038	2.6
153.06982	2.3
155.08519	7.7
156.09334	8.9
157.10161	18.4
158.07266	6.5
158.11006	1.8
159.08081	6.0
159.11694	12.0
161.09608	9.0
161.13263	2.8
163.03917	2.6
163.11209	6.4
165.07050	1.7
167.08539	3.7
168.09306	2.5
169.06328	1.9
169.10156	8.2
170.10886	4.5
171.11681	14.6
172.08855	1.8
173.09648	16.8
173.13277	10.0
175.11208	2.7
175.14787	1.6
179.08551	2.1
179.10698	1.4
181.10095	4.1
182.07312	1.5
182.10933	5.8
183.08035	1.9
183.11687	8.1
184.12485	2.3
185.09634	4.2
185.13309	8.3
187.11229	3.9
187.14854	3.0
189.12732	5.5
191.14259	1.8
193.10139	3.5
195.08076	2.5
195.11700	5.2
196.12439	3.5
197.09633	2.3
197.13266	15.4
199.11220	6.0
199.14825	11.3
201.12724	5.7
203.14307	2.4
207.11740	2.4
208.12463	2.9
209.13345	1.5
210.10422	2.1
211.11169	2.8
211.14854	5.1
213.05522	2.1
213.12799	5.5
213.16417	3.9
215.14326	6.1
217.15857	3.6
221.13242	2.6
223.14783	7.6
225.12822	9.4
227.07077	2.1
229.16072	1.7
233.13280	2.3
239.07092	4.3
239.14384	2.1
239.17993	2.6
241.04997	3.4
241.15845	8.7
243.10066	2.4
243.13812	6.8
248.15613	1.6
252.96284	2.0
253.01544	2.9
253.04929	1.8
253.19548	6.4
255.06618	1.7
255.17372	2.6
256.07202	7.6
257.19049	10.4
263.17947	2.4
267.09616	1.8
269.04446	3.2
271.02563	2.6
271.20560	3.2
275.97852	2.6
281.11624	1.7
281.19009	18.6
284.06833	51.8
284.10034	2.5
285.09995	2.8
299.05649	5.9
299.09155	87.8
299.14700	4.2
299.20074	100.0
300.09357	1.9
314.31979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Peak:m/z	Relative Intensity
52.51101	1.5
55.01864	2.0
55.05518	12.1
56.96568	3.8
57.07080	2.6
59.04993	1.7
65.03927	1.7
67.05517	13.1
69.03436	8.1
69.07082	7.5
69.30370	12.4
71.04987	5.2
75.21684	1.4
79.05499	12.4
81.07067	17.0
83.04967	5.7
83.08611	11.3
85.06537	2.3
86.48184	1.3
91.05483	20.3
93.07053	16.5
95.04977	30.3
95.08611	10.2
97.06528	5.9
98.97608	1.9
103.05487	1.6
105.07044	28.0
107.04990	2.3
107.08600	22.6
109.06527	13.5
109.10201	9.6
111.08087	3.8
113.09671	2.5
115.05434	3.6
117.07040	12.0
119.08596	65.8
121.06500	6.0
121.10165	11.5
123.08118	3.2
125.09643	4.0
128.06232	5.0
129.07004	6.9
130.07751	8.5
131.08586	12.5
133.06523	1.9
133.10161	14.2
135.08040	13.5
135.11720	2.0
137.09653	7.3
139.11108	1.8
141.06998	3.0
142.07805	4.1
143.08574	21.5
144.09311	2.1
145.06537	1.8
145.10138	71.2
147.05138	1.6
147.08052	5.7
147.11745	5.2
149.09576	3.3
151.07544	2.5
153.07123	1.5
154.07722	1.7
155.08583	10.7
155.10660	1.7
156.09366	7.0
157.10147	17.8
158.07259	10.4
158.10789	1.5
159.08060	5.4
159.11732	12.3
161.06007	2.2
161.09616	10.1
163.03873	1.7
163.11192	4.0
167.08595	3.9
168.09348	2.8
169.10240	7.9
170.10909	3.2
171.08102	4.6
171.11713	14.6
173.09637	23.5
173.13272	6.7
175.11150	3.8
175.15034	1.6
179.08528	2.0
180.09378	2.2
181.10115	6.1
182.10909	5.6
183.11751	7.0
184.12404	1.7
185.09628	3.8
185.13245	7.2
187.11195	3.5
187.14850	2.1
189.12779	9.3
193.10130	5.0
194.10939	1.9
195.07991	2.3
195.11682	7.6
196.12563	1.5
197.13280	15.3
198.14130	1.8
199.11217	4.7
199.14825	12.1
201.12775	5.0
203.14369	2.6
206.10872	1.6
207.11790	3.2
208.12526	4.3
209.09637	1.5
209.13449	2.5
210.10469	1.7
211.07524	1.5
211.11348	2.2
211.14830	5.4
213.12775	9.1
213.16364	3.8
215.14339	11.0
217.15936	3.7
221.13391	2.3
223.14821	14.0
225.12805	8.2
239.14296	2.8
239.18167	2.3
241.05101	1.5
241.15948	11.7
243.09897	2.0
243.13821	7.6
253.19440	3.2
256.07297	3.0
257.19064	15.8
263.17883	3.1
271.08517	2.5
271.20581	4.7
271.67343	1.6
277.07550	2.3
281.11630	1.6
281.19073	17.7
284.06830	14.8
295.08463	2.2
299.05817	2.8
299.09174	29.2
299.20081	100.0
300.20602	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	299.2007
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03936	1.7
54.12122	0.8
54.19725	0.7
55.01867	2.4
55.05516	5.3
56.96566	3.6
57.07067	1.3
58.98726	0.7
60.24820	0.6
65.03948	1.0
67.05509	12.3
69.03447	3.6
69.07070	20.0
70.21202	1.5
70.21584	1.2
71.04983	1.4
71.48692	0.7
75.62830	0.8
79.05494	8.4
81.03430	3.9
81.07065	5.6
83.04979	1.5
83.08629	2.9
85.06583	0.8
89.03918	2.1
91.04896	1.7
91.05480	33.3
93.07044	12.9
95.04968	5.3
95.08605	9.6
97.02917	0.7
97.06545	6.6
98.97609	2.0
103.05454	2.5
105.07030	18.8
107.04953	1.1
107.08601	8.3
109.02905	1.4
109.06532	2.4
109.10154	3.8
111.04458	0.7
111.08077	0.9
115.05461	3.8
116.06248	6.1
116.98586	1.3
117.03337	1.7
117.07022	2.7
119.04948	8.1
119.08577	16.8
119.76067	0.7
121.06530	2.4
121.10136	6.9
123.08070	2.7
125.09646	2.3
128.06207	2.2
129.07014	10.1
131.04913	2.1
131.08572	42.6
133.02943	0.9
133.06549	1.1
133.10115	5.0
135.04416	2.4
135.08086	2.5
135.11691	1.0
137.09689	1.9
139.11108	0.8
141.06969	1.6
142.07782	2.0
143.08580	4.0
144.09444	0.8
145.02826	1.4
145.06505	2.2
145.10147	3.6
147.04419	1.4
147.08063	2.7
147.11732	1.8
149.09637	5.1
153.06992	1.0
155.08571	1.8
156.09352	2.4
157.10135	5.7
157.58026	0.8
159.08060	100.0
159.11703	3.0
160.08432	0.8
161.02327	1.6
161.09650	3.6
161.13304	2.1
162.26851	0.8
163.03894	9.2
163.11154	1.1
165.06973	1.6
166.07735	0.8
167.10718	1.1
169.10088	2.4
171.08005	1.4
171.11729	5.2
173.02345	3.0
173.06007	1.2
173.09653	1.2
173.13246	1.4
175.07573	1.1
175.11137	1.5
179.08672	1.2
181.10120	1.6
182.10875	1.0
183.11777	3.5
184.08861	0.8
185.06058	1.3
185.09679	1.3
187.03914	8.0
187.11235	1.9
189.12752	3.1
192.09357	2.2
193.10130	1.5
195.08078	1.5
195.11745	1.3
197.09636	1.0
197.13290	4.5
199.04071	1.8
199.11223	6.6
199.14821	1.8
201.05426	1.5
201.12766	2.0
203.07079	1.6
206.11089	1.4
207.11732	3.2
207.13531	0.8
208.12480	0.8
209.09709	1.1
209.13177	1.4
210.10524	1.1
211.11205	2.7
211.14745	1.3
212.12076	1.0
213.05489	3.1
213.12726	1.7
215.14354	0.9
221.13396	1.3
223.14771	2.2
225.12752	4.8
227.07034	1.6
229.05219	1.1
233.13228	1.3
233.42599	1.0
235.11151	0.9
239.07069	1.7
239.14299	2.8
243.10306	1.3
243.13841	1.8
248.15633	1.1
251.10854	1.0
251.14624	0.8
253.12303	2.2
253.19556	2.1
255.10172	3.4
256.07257	1.4
257.19012	2.4
263.10538	1.6
263.17947	4.4
267.09103	4.8
271.05936	0.8
281.11862	3.6
281.19003	21.9
284.06830	9.4
285.10202	3.7
299.05832	1.8
299.09146	19.6
299.12759	10.9
299.20050	41.5
317.12643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.01995	0.4
56.53881	0.4
56.96566	0.7
58.82630	0.4
66.81593	0.4
66.91245	0.4
70.06596	100.0
71.20612	1.0
72.08162	0.9
84.04516	1.5
84.08159	1.5
86.09723	0.6
97.02880	0.4
98.97607	1.0
112.07612	91.1
113.07961	0.4
129.10260	0.7
140.07072	53.9
143.08122	0.9
144.06624	0.9
157.09761	4.7
161.09209	1.6
173.09245	0.8
185.09889	0.4
191.03922	0.5
218.80652	0.4
240.13396	0.8
258.14426	0.6
268.12863	1.2
283.13086	0.6
285.07077	0.6
300.05905	0.6
300.09418	0.8
300.15555	1.2
301.07217	0.6
301.12662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1596
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
53.03920	0.7
57.21952	0.5
70.06590	1.0
70.93783	1.0
79.05493	1.4
84.08118	0.4
86.09695	0.6
91.05479	0.7
93.07034	0.6
95.04974	0.7
102.15103	0.4
102.32618	0.5
103.05518	0.6
107.04963	100.0
115.05504	0.8
117.07040	1.9
120.68559	0.4
121.06507	2.0
124.01538	1.2
128.06186	0.9
129.07022	1.0
131.04938	1.3
133.02861	1.9
133.06523	0.6
136.05217	0.6
137.06055	0.5
143.04898	0.6
144.05739	0.8
145.06497	11.5
146.07254	1.3
148.05241	2.2
148.79852	0.4
150.06789	0.8
151.03860	0.9
151.07561	8.4
151.08661	0.8
152.01082	0.6
153.01846	1.7
155.06035	0.8
158.07268	4.3
159.04440	1.4
159.08046	0.8
161.05962	0.8
165.09151	2.5
167.03500	0.5
173.06062	0.6
174.06784	6.3
175.07428	0.6
176.08380	1.6
177.09097	3.0
179.72147	0.4
189.09120	16.7
190.09590	0.5
192.10246	1.0
203.51373	0.5
211.07483	0.5
213.05579	0.8
221.09555	0.6
225.09186	0.6
229.04974	45.3
230.05249	0.6
236.08240	0.6
237.09120	4.5
251.10692	1.1
252.11470	9.5
253.08664	0.9
256.03687	0.9
257.04465	17.0
268.10941	8.7
272.06796	26.6
283.13303	48.5
284.03189	1.4
284.13657	0.8
285.03949	2.1
285.07071	1.0
286.04797	0.9
299.05554	4.7
300.06308	79.3
300.15918	33.0
301.06830	4.5
301.16443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2901
Annotation	Sphingosine
Peak:m/z	Relative Intensity
54.81036	3.1
55.05517	22.8
56.05040	7.0
56.96575	8.3
57.03426	7.0
57.07072	4.7
58.06595	11.6
67.05511	35.7
69.07077	25.9
70.06599	9.6
71.08635	5.0
71.55521	4.4
74.06094	5.7
79.05492	10.7
79.23964	3.3
81.07066	36.9
82.06599	4.2
83.08618	10.0
84.08179	5.6
91.05502	4.1
92.21389	3.1
93.07052	9.4
95.08622	31.0
97.06531	3.3
97.10178	7.8
98.97595	4.3
103.84361	3.3
107.08602	6.8
109.10172	12.3
119.08587	4.7
121.10134	3.8
123.11713	4.6
131.08578	3.3
134.99655	4.8
135.11731	4.6
137.05957	4.2
163.03949	4.1
168.00578	2.9
174.79247	3.1
179.66257	4.0
241.04997	4.4
258.05310	3.9
264.26947	32.6
282.27951	13.6
285.07120	43.0
286.04700	10.5
288.19949	3.7
300.06073	7.3
300.09488	64.8
300.25854	5.3
300.29037	100.0
301.06924	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	301.0703
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
68.99812	0.3
70.50929	0.3
75.22473	0.1
81.03420	0.1
83.01350	0.2
95.21005	0.1
96.02166	0.1
98.20826	0.1
105.03410	0.1
106.04198	0.1
108.00997	0.1
111.27892	0.1
124.01580	1.6
134.03648	2.2
134.04616	0.2
135.04486	0.4
137.02347	1.0
147.04436	0.1
149.02365	0.1
151.03853	0.1
152.01056	1.8
153.01845	4.2
161.02386	0.4
161.05977	0.1
167.03435	0.7
170.02136	0.7
170.03404	0.1
174.06761	0.2
184.05226	0.3
185.05974	0.1
188.04745	0.1
189.05484	0.1
201.05547	0.4
202.02582	0.1
202.06306	0.2
202.72340	0.1
212.04684	0.3
213.05461	0.8
216.04236	0.1
229.04955	1.8
230.05701	0.7
240.04120	0.1
241.04883	0.2
257.04517	0.7
258.05264	13.8
259.05740	0.2
268.03790	0.1
269.04477	1.5
284.99377	0.1
285.03970	7.1
286.04736	47.5
287.05072	0.6
301.07080	100.0
302.07425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.25454	0.1
68.99791	0.2
70.31003	0.1
81.03423	0.2
98.20728	0.3
105.15076	0.1
106.06866	0.1
124.01582	1.5
134.03633	2.2
135.04376	0.3
137.02350	1.0
147.04320	0.1
152.01048	1.6
153.01839	4.0
160.05270	0.1
161.02367	0.3
163.03867	0.1
167.03410	0.7
170.02119	0.8
174.02965	0.1
184.05185	0.2
185.04582	0.1
189.05461	0.1
201.05426	0.3
202.06311	0.3
212.04758	0.2
213.05429	0.7
229.04977	1.4
230.05705	0.7
237.03484	0.1
240.04227	0.3
257.04599	0.6
258.05246	14.3
259.05792	0.2
269.04422	1.5
285.03940	7.3
286.04724	50.1
287.05103	0.6
301.07068	100.0
302.07425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
63.39225	0.2
67.01864	0.2
67.05483	0.5
70.98779	0.4
77.94141	0.2
79.05467	0.3
79.38027	0.2
81.03390	0.2
81.07025	0.2
89.12330	0.2
91.05463	0.4
93.07020	0.4
97.06496	0.2
100.78635	0.2
105.07013	0.3
107.04957	0.3
107.08562	0.2
119.78539	0.2
123.11675	0.2
124.01565	0.7
131.08517	0.3
133.10117	0.5
134.03647	1.2
135.11710	0.4
137.02357	0.5
141.98633	0.2
142.48950	0.2
145.06419	0.2
149.05913	0.2
151.03896	0.2
152.01028	0.8
153.01808	3.4
160.49084	0.2
163.11194	0.2
167.03416	0.2
170.02126	0.6
184.05269	0.2
196.91512	0.2
213.05402	0.5
229.04965	1.9
230.05684	0.3
240.04312	0.2
253.60326	0.2
255.06587	0.2
257.04404	0.7
258.05246	29.4
259.05817	0.3
260.75253	0.2
269.04446	0.8
285.03918	4.3
286.04721	53.6
287.05032	0.8
300.06311	0.2
301.07068	100.0
301.21649	0.9
302.07349	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	301.0709
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.25908	0.4
75.90873	0.3
77.48018	0.3
84.67803	0.4
97.06569	0.5
112.11680	0.4
118.80116	0.3
126.68712	0.4
153.01900	1.2
229.04999	2.4
257.04529	1.2
258.05261	45.6
259.05621	0.4
286.04745	55.8
287.05103	0.7
301.07089	100.0
302.07397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1187
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03940	0.3
55.01874	0.4
55.05502	0.5
56.96557	0.4
57.03430	0.5
65.03943	1.8
67.05517	1.7
69.03433	0.4
69.07064	0.7
70.11253	0.2
70.11578	0.9
73.69279	0.2
79.05508	1.4
81.07059	0.8
82.06623	0.3
85.06526	0.3
91.05484	0.8
92.05010	2.7
93.07033	0.8
94.06566	0.5
95.04977	0.5
95.08607	0.5
97.06549	3.1
104.93227	0.4
105.07024	0.8
106.06544	0.4
107.08590	0.5
108.08151	0.4
109.06483	0.4
115.05434	0.4
117.05751	0.3
117.83583	0.2
118.06562	0.4
119.08566	0.3
120.04477	2.2
121.06490	0.3
121.10156	0.4
122.06043	1.6
124.01624	0.4
128.06262	0.4
129.06993	0.7
130.06517	0.5
131.04991	0.4
131.08583	0.5
134.06032	0.4
135.08064	0.5
135.11687	0.3
136.07596	2.3
137.05971	0.3
141.06985	0.6
142.07843	0.2
143.07323	0.3
143.08577	0.5
144.08084	1.1
145.10089	0.4
146.06023	0.3
147.06842	0.2
147.08101	0.5
148.03976	0.6
152.06209	0.5
153.01875	0.8
153.05490	0.3
153.06935	0.3
154.06534	0.8
154.07768	0.4
155.07339	0.3
155.08539	0.5
156.08083	0.6
157.08884	0.5
157.10088	0.6
159.08028	0.6
159.09189	0.5
159.11665	0.4
160.07597	0.3
161.07108	0.3
162.05470	1.2
163.03937	0.3
165.06993	1.3
167.07300	2.4
167.08598	0.6
168.08162	1.4
169.07623	0.7
169.08871	1.6
169.10201	0.6
170.08415	0.7
170.09671	0.8
171.09212	0.6
172.07597	0.6
172.11240	0.4
173.07092	0.5
173.13223	0.3
175.11174	0.3
177.05591	0.3
181.06422	0.3
181.08881	0.5
182.05998	0.5
182.09673	2.9
183.09235	2.6
184.07588	0.8
184.09875	3.0
184.11426	1.5
185.07121	0.5
185.10724	0.8
186.09184	0.6
187.07307	0.5
187.08841	2.0
191.07220	0.3
192.08066	0.4
194.09805	0.4
195.06650	0.4
196.07573	0.8
197.06990	2.4
197.08456	0.8
197.10793	0.7
198.07765	2.5
198.09277	0.7
199.08621	1.1
199.12352	6.7
200.10725	0.7
201.09061	0.7
203.07002	0.5
205.08589	1.2
209.10791	0.9
210.07532	0.2
210.09160	7.1
211.08646	5.7
212.09268	9.3
213.06914	0.2
213.10294	2.6
214.08685	0.3
222.07816	0.3
223.08780	0.3
225.06628	2.1
225.10172	1.2
226.07379	1.2
226.11046	0.9
227.08128	0.9
227.11824	28.4
228.10173	0.9
229.05188	0.4
229.07477	0.6
229.09708	0.3
237.10258	2.3
238.08592	1.8
239.08186	2.4
240.08945	11.7
241.09839	8.0
241.12277	1.4
247.08594	0.4
253.09737	0.5
254.10516	1.0
255.11311	100.0
256.11700	1.0
257.12970	3.1
258.05301	2.2
273.12408	0.6
283.10785	13.9
283.12973	0.7
285.03967	0.9
286.04779	6.2
286.07385	0.1
296.08472	0.4
301.07098	12.0
301.11807	17.7
301.14490	1.8
301.21609	0.8
302.12180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01868	3.6
55.05268	1.9
55.05514	30.4
56.96554	3.9
57.03438	8.0
57.07063	3.3
59.05003	1.7
65.03944	2.3
67.05509	39.2
69.03425	6.1
69.06727	1.4
69.07076	22.6
69.36696	9.8
70.06594	2.1
71.04990	4.8
71.08621	5.3
77.03922	1.9
79.05499	34.1
81.03401	1.7
81.07071	10.7
83.04989	44.5
83.08607	4.7
85.02876	1.9
89.03927	10.8
91.05488	12.8
93.06474	1.9
93.07050	33.8
95.04958	4.0
95.08617	56.9
97.06544	10.5
97.10154	3.4
98.97589	2.7
103.05460	5.4
105.03383	2.7
105.07012	3.3
107.04948	3.7
107.08599	3.0
109.06570	1.3
109.10171	4.0
115.05425	1.8
117.03380	14.5
117.06996	1.3
119.04935	3.2
119.08600	2.7
119.53492	1.1
121.10142	8.3
125.09634	1.3
129.05505	1.4
131.04996	6.5
131.08546	1.2
133.02875	7.8
133.06534	1.6
134.03610	1.2
134.99673	1.3
135.04417	19.0
135.11725	1.4
137.05980	3.1
139.11189	100.0
145.02853	9.7
145.06471	1.5
145.10069	1.7
147.04398	5.1
153.05447	1.5
157.10182	1.2
159.03226	2.3
159.04436	29.6
160.06372	1.2
161.02354	24.2
163.03918	81.2
163.11179	2.9
165.06995	1.9
167.06596	1.1
169.88576	1.3
171.04422	1.7
171.61496	1.4
173.02348	55.1
173.06030	2.4
175.03918	4.3
181.04922	2.0
181.06496	3.0
187.03926	51.9
187.07425	1.7
189.05498	7.1
201.05481	3.8
226.06264	1.9
227.06958	2.3
229.07402	2.4
239.10693	1.4
240.23204	11.9
241.08655	1.3
247.08598	1.8
257.11746	60.1
258.05292	8.9
269.08173	1.4
283.13110	1.7
285.04028	2.4
286.04697	21.4
301.03571	2.1
301.07050	35.0
301.10663	7.5
301.14096	30.0
301.21533	1.8
301.29260	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	301.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
53.78842	0.7
55.01875	3.8
55.05519	16.7
56.96574	1.8
57.03448	4.3
57.07067	0.7
59.05005	0.9
65.03944	1.1
67.05513	18.9
69.03442	5.6
69.07078	28.6
71.04995	3.5
71.08627	2.4
77.03963	0.8
79.05506	18.1
81.03441	0.8
81.07069	8.0
83.04993	29.1
83.08623	3.5
85.02880	0.9
89.03929	9.6
91.05493	5.8
93.07054	18.7
95.04998	1.9
95.08619	25.2
97.06522	6.5
97.10192	1.9
98.97549	1.0
103.05495	1.1
105.07064	1.9
107.04973	3.2
107.08600	1.2
109.06526	0.9
109.10172	2.1
111.04452	1.1
115.05515	1.1
116.98653	1.7
117.03400	14.8
117.07063	0.7
119.04949	0.7
119.08585	1.9
121.10154	5.3
125.09621	0.8
129.07053	1.2
131.04945	1.6
133.02869	3.3
133.10167	1.0
134.03656	2.5
135.04430	20.9
135.11694	0.7
137.05991	3.4
138.03120	0.8
139.11195	58.4
141.07031	0.7
143.04903	0.8
145.02863	14.3
145.06490	1.0
145.10153	1.2
147.04459	2.2
153.01895	1.1
153.05490	2.0
157.06531	0.9
159.04477	3.4
161.02377	2.8
161.06009	1.0
163.03926	100.0
163.11246	1.0
167.08571	0.9
173.02332	8.4
173.05965	1.4
175.03928	2.2
177.05522	0.8
181.06494	0.9
185.05992	1.6
187.03941	10.5
189.05466	2.3
201.05467	2.1
203.06934	0.8
205.04892	0.9
209.11778	0.9
213.05551	1.1
217.05011	1.4
229.04919	1.0
229.07460	1.3
231.06570	2.4
240.23306	0.8
247.08554	1.1
257.11746	15.7
258.05280	4.4
269.04517	1.0
269.07953	1.0
285.03992	1.4
286.04736	12.0
301.03876	0.9
301.07077	23.1
301.10526	1.8
301.14322	23.0
301.17001	0.8
301.21347	1.6
301.29294	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01876	11.0
55.05267	3.7
55.05518	61.2
56.96565	2.0
57.01500	2.1
57.03192	2.6
57.03447	39.9
57.07072	2.7
59.05006	3.3
65.03948	4.8
67.05515	100.0
69.03419	2.3
69.07077	26.5
70.48086	6.1
71.01349	5.0
71.04998	8.0
78.79932	1.9
79.05058	4.1
79.05502	57.4
79.05969	3.1
81.03432	13.0
81.07065	49.8
81.07523	3.3
82.31403	1.7
83.04989	17.0
83.08635	20.4
85.02911	18.0
85.06561	5.8
87.04457	4.5
91.04965	3.2
91.05487	25.0
93.07056	48.8
95.04992	11.6
95.08614	24.4
97.02891	5.9
97.06564	14.3
97.10180	29.1
99.04465	3.1
105.04562	1.9
105.07049	17.3
107.04975	14.0
107.08611	32.1
108.33908	2.4
109.06535	3.8
109.10172	46.2
111.04456	14.3
111.08112	5.5
111.11755	4.3
117.07038	9.6
119.08595	20.6
121.06542	6.7
121.10161	52.2
123.08132	6.3
123.48968	1.8
123.90457	1.8
125.06010	5.6
125.09637	26.6
129.07002	4.6
130.07788	3.3
131.08582	11.2
133.10172	5.6
135.08102	2.7
135.11722	23.5
137.06033	2.8
137.09639	5.1
139.07578	2.6
139.11194	16.9
143.08574	2.7
143.10759	2.4
145.10130	25.9
147.08095	3.9
147.11696	3.8
149.09679	3.9
153.12794	8.4
155.08607	5.5
155.10686	2.5
163.11205	37.5
166.14221	2.1
173.09613	9.5
173.11731	9.0
181.12230	16.0
185.11801	4.8
185.29353	2.0
191.10638	10.1
199.13350	5.3
203.12843	2.2
209.11720	14.0
227.12790	17.2
229.14490	2.3
245.13873	35.4
245.16179	2.5
257.13889	14.3
258.05280	9.4
269.04642	2.3
285.04089	2.6
286.04773	22.7
301.07098	41.4
301.10339	3.9
301.16602	76.0
301.21661	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	301.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	7.9
55.01878	23.0
55.05517	18.0
56.96553	2.0
57.03442	32.8
61.01157	2.0
62.55117	1.4
63.70313	1.6
64.99824	1.7
65.03941	6.0
67.05510	65.8
67.61486	1.5
68.99807	2.7
69.03424	2.7
69.07073	12.9
70.06619	1.5
70.59044	2.6
70.59384	3.3
71.05000	9.1
73.02917	5.1
79.05500	78.3
81.03423	13.8
81.06586	2.7
81.07064	50.1
81.07520	3.4
83.04989	32.1
83.08614	5.1
85.02913	5.1
85.06545	6.2
86.09705	2.6
91.05490	43.1
93.07054	67.8
95.04984	17.0
95.08613	26.2
97.02916	2.6
97.06535	17.5
97.10194	1.7
98.25951	1.8
98.97565	4.2
99.04475	7.7
103.05500	2.4
105.07034	16.3
107.04967	57.6
107.08603	33.7
108.05289	6.8
109.02926	2.4
109.06550	8.6
109.10160	8.8
111.04453	46.2
111.08100	9.4
115.05463	2.7
116.88582	1.6
117.07027	24.2
119.05017	2.1
119.08599	24.9
120.54048	1.7
121.06502	7.3
121.10152	58.0
123.04440	5.4
123.08085	5.8
125.06014	6.1
128.06294	1.7
129.07042	7.8
130.07823	4.8
131.01666	1.7
131.04956	6.2
131.08580	21.3
132.13606	1.6
133.10164	9.7
134.03690	2.7
135.04431	1.7
135.08066	3.1
135.11708	44.0
137.06004	6.5
139.11250	2.3
143.08589	4.3
145.06447	8.5
145.10133	57.5
147.08092	6.0
147.11723	3.2
149.02696	3.2
149.06020	3.4
149.09633	8.9
151.03976	8.0
151.05022	1.9
153.01851	3.8
153.05508	2.1
153.06998	3.1
153.12741	16.7
155.01659	5.9
155.06036	2.2
155.08533	11.8
157.10168	2.3
159.11684	3.2
161.06032	3.9
163.11197	63.0
165.07021	2.0
167.03474	3.9
169.03247	5.1
169.10080	2.0
171.08052	2.2
173.09636	36.6
173.11021	3.2
177.02220	1.9
177.05524	1.7
179.07095	7.7
181.06473	2.9
181.12233	34.6
189.09305	1.8
191.10686	37.2
198.06802	2.1
201.09134	1.8
209.06325	3.8
209.11766	19.8
211.04285	13.1
226.06143	2.8
227.12779	18.4
229.05029	2.7
241.08708	3.8
241.12288	5.9
245.13828	5.1
253.05099	1.6
253.11665	2.0
255.06683	2.8
255.11337	5.9
258.05292	12.1
265.14511	3.1
269.07986	2.7
283.15497	7.6
284.13675	7.8
285.04092	5.5
286.04764	43.2
301.07108	100.0
301.10840	12.5
301.16522	64.0
301.21375	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01864	4.5
55.05512	18.9
56.96559	5.0
57.03426	6.3
57.07074	12.7
60.04532	18.6
65.03934	2.6
67.05512	30.4
69.03418	4.2
69.07072	16.1
69.90132	10.4
70.06606	13.5
71.04985	5.9
71.08636	5.5
73.32732	2.2
75.19512	1.8
79.05500	21.7
81.07067	28.7
83.04983	3.4
83.08612	7.8
85.02884	5.2
85.06541	4.1
87.04443	1.9
88.07631	11.3
91.05482	22.6
93.07051	30.4
95.04979	12.8
95.08613	26.5
97.06533	8.2
97.10172	4.7
98.20888	2.9
98.97576	5.8
100.21130	2.3
102.09183	3.6
105.07043	31.5
106.08674	8.3
107.04956	3.7
107.08601	25.2
109.06514	23.0
109.10168	24.6
111.08076	4.7
113.71835	2.0
115.05496	3.6
117.07006	7.7
119.07784	3.3
119.08588	33.0
120.52209	2.0
121.06496	7.4
121.10152	32.7
123.08083	3.5
123.11749	4.6
125.09641	4.5
128.06206	2.9
129.06984	6.6
130.07756	2.7
131.08588	33.0
133.10139	23.5
134.99707	2.4
135.08098	18.9
135.11685	8.1
137.05960	8.8
137.09636	3.6
139.11186	9.8
142.07790	3.4
143.08575	13.4
144.08261	2.1
144.09383	4.0
145.10135	36.8
146.07231	4.6
147.11757	9.4
149.05940	2.2
149.09624	3.1
149.13277	6.9
153.01884	3.2
153.05473	5.7
153.12791	2.6
155.08557	3.4
157.10110	8.0
158.10883	8.4
159.08084	3.8
159.11699	11.7
161.09633	34.2
163.11224	10.4
168.09367	2.7
169.10136	2.8
171.11667	6.6
173.09673	3.2
173.11775	4.4
173.13266	56.7
175.14822	6.5
179.08618	3.4
181.12231	3.2
183.11746	5.5
185.13258	6.1
187.14845	2.8
189.12834	3.3
191.10710	3.1
191.14294	14.4
194.10902	3.0
195.11713	3.4
197.13252	3.3
198.22339	2.3
199.14842	6.4
201.12778	3.7
206.48433	2.2
209.13326	6.0
217.16017	3.1
223.14761	3.1
225.16478	3.7
227.12660	3.5
227.14569	3.1
229.07582	12.8
229.14400	2.3
241.04669	2.3
245.13831	13.5
247.08557	5.5
258.05292	11.2
265.19476	5.6
274.04153	1.9
283.20612	8.7
283.28363	3.1
284.29483	20.5
285.03912	2.5
286.04697	30.3
286.07568	3.9
301.03513	4.4
301.07034	58.6
301.09885	3.9
301.13507	2.6
301.16769	9.2
301.21881	20.1
301.29208	3.1
302.30576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03948	4.9
55.01880	10.3
55.05516	29.8
55.69531	2.3
56.13297	2.1
56.64407	1.8
57.03450	13.6
58.54030	1.9
59.04994	5.1
65.03932	3.4
67.05511	88.7
67.54840	1.9
69.03433	4.5
69.07076	32.2
71.01354	2.0
71.04984	8.0
79.05495	29.6
81.03408	7.3
81.07067	46.9
83.04989	11.1
83.08616	7.8
85.02895	4.6
85.06556	3.7
88.84602	2.0
91.05487	27.3
93.07060	39.7
95.04969	27.1
95.08616	28.5
97.02894	1.9
97.06522	7.9
97.10165	8.3
105.06487	2.4
105.07038	26.2
107.04932	6.2
107.08604	54.3
109.06532	18.7
109.10166	100.0
111.04477	5.2
111.08082	3.1
113.09628	3.4
117.07059	10.9
119.08593	68.1
121.06519	8.9
121.10146	20.0
122.07275	6.7
123.08089	23.6
123.11706	4.9
125.09643	8.3
129.05482	2.8
129.06976	2.5
130.25813	2.1
131.08553	10.0
133.10141	19.5
135.08061	30.2
135.11699	12.8
137.05991	5.0
137.09627	55.5
139.11157	3.1
143.08546	8.1
145.10144	21.8
147.04465	2.3
147.08098	3.8
147.11682	4.7
149.09592	6.9
151.07547	4.7
153.12735	5.7
156.09346	3.1
157.10143	6.7
159.11717	5.9
161.09619	14.0
161.13300	5.0
163.11172	17.8
165.09076	3.0
165.12767	7.8
171.11746	4.5
173.09602	2.5
173.11839	2.5
173.13223	4.5
175.11134	3.3
175.14836	4.5
176.11902	3.3
181.12256	4.5
185.13318	3.2
187.11275	3.3
191.10703	5.0
191.14325	85.4
199.14798	3.1
201.12666	2.7
205.15886	7.6
207.13841	2.3
209.11720	7.4
217.15846	6.4
221.15298	9.0
227.12679	4.3
245.13625	3.1
257.13824	2.5
258.05243	7.6
269.04095	2.3
283.20587	10.6
286.04678	20.6
286.07498	3.3
301.03632	1.8
301.07001	38.7
301.10089	3.4
301.16797	21.3
301.21591	82.3
301.25256	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	302.0872
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03949	0.4
54.64123	0.2
55.01865	0.4
56.96556	0.8
57.03432	1.0
59.05000	0.2
60.16051	0.2
61.02930	2.0
63.17360	0.2
69.03438	3.2
70.06604	2.3
70.65919	0.3
71.05023	0.6
71.53535	0.3
72.08162	0.7
73.02913	0.9
78.03444	1.3
80.09035	0.2
81.03413	1.7
83.01338	0.3
84.04521	0.3
84.08159	0.4
85.02912	10.2
86.09708	0.6
87.04469	0.7
91.03975	0.4
97.02889	2.4
98.97590	1.5
99.04440	0.7
100.11214	0.3
109.02908	0.6
110.97601	0.3
116.07103	1.0
116.98669	0.3
122.02394	7.3
122.03321	0.5
124.03954	2.8
127.03921	2.1
128.98618	0.6
134.06035	0.9
140.03433	100.0
141.03758	0.6
145.03893	0.3
145.04941	1.4
152.07043	1.7
155.08147	0.5
158.99680	0.3
164.07050	0.6
165.96059	0.3
173.02687	0.3
186.04388	0.3
186.99313	0.3
199.30858	0.3
213.03302	0.3
215.00256	0.3
253.07491	0.6
273.09088	0.6
297.06674	0.4
302.08765	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87665	1.9
53.03939	3.0
53.23796	1.8
55.05511	2.8
56.05026	2.6
56.96552	5.9
57.03444	4.3
59.14135	2.1
61.02908	2.1
62.37746	1.8
67.05499	5.5
69.03426	5.8
69.07059	7.5
70.06602	14.3
71.34031	3.7
72.08165	17.6
73.02925	2.3
79.05525	2.2
81.03426	5.0
81.07055	4.5
82.06554	2.5
83.08583	2.1
84.04514	2.9
85.02426	3.9
85.02906	43.1
86.06079	4.9
86.09711	22.9
91.05473	3.4
92.56866	2.1
95.04907	2.3
97.02911	22.0
97.06509	2.8
98.97582	7.2
99.04447	2.5
108.08125	6.7
109.02875	7.1
112.07586	7.0
116.98643	2.5
119.41862	1.9
122.06015	4.9
125.01936	1.9
126.05534	2.7
126.09194	2.7
127.03899	7.9
130.05016	3.3
130.08606	2.3
132.10159	2.4
134.03636	3.0
135.03955	2.4
136.07579	8.6
137.06020	2.6
140.03384	3.2
140.07080	24.5
143.11784	12.4
145.04971	6.7
145.10185	2.0
150.09174	3.0
152.07092	7.4
152.74876	2.0
153.01837	3.2
154.02129	2.6
154.08687	2.7
157.13365	3.8
162.05571	2.5
164.07111	12.1
178.08647	9.7
182.08138	43.4
189.12366	3.8
206.08121	14.8
230.69287	2.2
241.09232	2.4
242.10570	2.1
248.09210	4.2
256.11908	3.2
258.05194	2.4
259.05615	13.5
284.11441	4.1
286.04395	11.9
287.05069	49.8
302.07404	100.0
302.10959	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	303.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.5
69.57222	1.4
69.57646	1.0
72.78448	0.4
80.53650	0.3
84.51868	0.3
85.99508	0.3
98.97600	2.5
101.00877	3.0
116.98653	1.3
119.01944	6.0
137.02936	0.9
158.99910	1.8
160.32874	0.4
176.54765	0.3
177.00975	13.2
178.01070	1.0
179.00774	1.3
182.99867	1.2
195.02046	0.4
201.00983	2.7
203.00815	0.5
217.04109	2.3
219.02042	22.2
220.02119	1.9
221.01764	3.3
225.00873	2.4
234.99844	0.4
240.99184	0.5
242.03540	0.5
242.99397	0.7
243.02013	11.3
244.02158	0.9
256.96613	0.7
258.99942	0.9
261.03088	100.0
262.03247	7.3
263.03085	0.9
277.00970	0.4
279.00696	1.9
279.98325	0.6
283.00092	1.8
283.02789	0.4
284.00055	0.5
284.04633	1.8
284.99835	4.8
301.01059	2.4
303.00894	5.3
303.04675	1.5
320.97668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Isoetin
Peak:m/z	Relative Intensity
53.03944	2.3
55.01858	1.6
55.05508	6.2
56.68019	1.4
56.96564	6.0
57.03420	2.7
60.04462	1.5
65.03950	1.8
67.01855	2.3
67.05496	8.7
68.99795	6.7
69.03414	5.0
69.07054	8.0
71.14310	1.4
72.08133	2.2
73.02962	1.4
77.25870	1.5
79.05498	13.6
81.03416	5.0
81.07053	12.0
82.61717	1.5
83.01325	1.7
83.04985	3.5
83.08627	2.3
85.06544	1.9
86.09692	2.9
91.05473	9.1
92.86902	1.4
93.07049	9.8
95.04980	7.2
95.08603	10.4
97.06538	16.7
97.10169	2.1
98.06880	2.0
98.97598	3.4
103.05474	1.7
105.07038	14.0
107.04967	7.3
107.08601	8.6
108.47887	1.3
109.02874	3.5
109.06523	3.4
109.10166	6.6
111.04525	1.8
115.05459	2.8
117.07022	4.4
119.04993	2.0
119.08562	11.1
120.08098	7.5
121.02906	3.3
121.06486	3.3
121.10135	5.9
123.04408	1.9
123.08059	3.3
123.11704	2.4
125.09608	1.9
129.07005	2.5
131.04939	3.8
131.08578	4.5
133.02829	1.7
133.06516	1.9
133.10159	8.2
135.08090	2.3
135.11678	3.8
137.02328	3.2
137.05954	3.6
141.06947	2.2
143.08566	4.7
145.02908	1.5
145.06491	5.4
145.10107	4.9
147.04395	2.5
147.11664	7.8
149.05981	2.6
149.09657	3.3
151.07568	3.6
151.11143	3.0
153.01836	71.0
153.07031	1.6
155.04875	2.9
155.08549	2.0
157.06451	4.2
157.10199	2.6
159.11726	4.1
161.05994	7.2
161.09674	2.0
161.13243	4.2
163.03864	2.8
163.11125	2.1
165.06976	2.7
171.11671	2.7
173.06061	4.2
173.13219	2.2
176.14589	1.6
177.05496	4.1
183.04527	2.1
187.03876	1.9
189.05458	1.7
191.03450	2.0
199.03781	1.7
201.05484	20.9
203.03438	15.2
203.06963	3.2
203.10503	1.5
211.07622	3.1
211.14836	1.8
213.05528	3.1
213.16277	2.0
215.03432	1.7
215.07043	2.6
216.04131	1.8
225.12758	2.0
229.04959	100.0
231.06525	14.2
241.12323	1.8
243.11404	3.5
245.04478	25.7
247.06073	5.4
257.04449	77.4
258.04865	2.3
259.06027	89.7
268.58829	1.6
275.05511	85.0
285.03934	59.4
285.12387	5.2
285.22058	2.5
286.04358	1.9
303.04987	40.2
303.08044	3.1
303.12366	5.1
303.15881	6.7
303.19797	2.8
303.23190	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	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49656	11.7
55.35989	13.0
57.03459	13.6
61.02928	25.3
65.08971	13.1
69.03425	16.9
70.06600	34.0
71.04968	22.8
71.54420	17.5
80.25239	11.7
84.08173	18.5
85.02921	41.8
98.06060	22.5
98.97593	16.5
119.49811	13.7
125.03844	12.4
153.07510	20.5
158.99797	14.3
175.11974	14.8
259.02402	24.0
303.08344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94436	0.4
53.20065	0.4
55.05496	0.7
56.96558	1.8
57.03418	0.7
57.98572	0.5
67.05495	0.7
69.03434	0.7
69.07088	2.2
70.06586	1.7
70.87076	1.1
70.87406	0.6
71.06915	0.5
72.08141	0.9
79.05489	0.9
81.03424	1.3
81.07046	0.9
83.04924	0.5
84.04482	0.6
84.08143	0.9
84.96005	0.6
85.02911	0.8
86.09704	2.7
87.10057	1.1
91.05487	1.2
95.04968	0.6
95.08620	1.1
97.02895	0.6
97.06550	0.8
98.97569	3.1
105.07024	0.8
116.98635	0.9
120.08108	0.7
121.10148	0.5
128.98593	0.8
129.10278	0.5
132.10106	0.6
137.02356	0.6
137.06004	1.5
143.11821	0.6
144.12123	0.5
149.01291	0.6
153.06992	0.5
157.10074	0.5
158.99661	0.6
161.01077	0.5
177.00676	0.9
183.08028	0.7
196.53473	0.6
207.07904	0.6
211.07532	0.7
229.04982	0.5
237.02794	0.7
239.11871	0.8
243.11472	0.5
267.11362	1.2
271.09891	0.7
285.12369	2.1
288.05374	1.4
303.05078	3.2
303.08224	3.0
303.14142	100.0
303.63132	0.5
304.14462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.5
55.01895	0.4
56.96564	1.7
69.68838	0.9
69.69234	1.4
70.06589	0.9
72.08138	0.7
83.08708	0.4
84.08109	0.8
85.02904	0.9
86.09709	2.2
95.04984	0.4
97.06548	0.6
98.97601	3.0
103.02187	0.4
105.03394	1.0
110.07194	0.6
116.98640	0.9
124.99155	0.5
131.00117	0.6
131.04941	0.5
142.03032	0.4
163.03915	1.2
173.01222	1.2
191.02284	0.8
200.18431	0.6
221.05128	0.8
263.00708	0.5
281.01733	0.7
285.12231	0.9
294.09842	0.6
303.14151	100.0
304.14435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.3
56.96581	9.1
58.06583	2.9
60.54335	1.5
67.05161	1.4
67.05511	2.6
69.03427	4.7
69.07069	2.6
69.63380	9.3
70.02863	1.4
70.06590	4.9
72.08162	2.2
79.05489	2.0
81.36598	1.6
84.04495	2.2
84.08160	3.0
85.02911	3.2
86.09693	3.4
97.02887	3.5
97.06563	2.7
98.06072	1.5
98.21475	1.8
98.97583	10.1
99.04478	1.5
103.02202	2.7
105.50418	1.4
116.98642	4.4
121.02884	2.2
133.80363	1.7
137.05963	4.1
173.01306	2.4
184.09856	2.1
196.10011	6.4
199.30482	1.6
206.08424	12.3
211.12263	7.4
213.09930	2.3
220.10069	2.5
221.10822	6.7
222.04623	1.9
223.08749	4.3
224.09561	4.0
224.16331	1.6
225.10187	1.8
227.08253	3.3
228.16055	2.4
231.05272	4.0
237.10216	2.9
238.11005	2.5
239.08267	2.0
239.11803	14.9
252.08937	2.4
255.11667	1.7
257.12845	3.5
267.11295	26.2
279.07474	2.8
285.12350	34.4
303.07602	4.3
303.14084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91635	0.3
54.31908	0.3
56.96567	1.5
63.66837	0.3
70.05793	0.3
70.07118	1.1
70.07488	0.5
70.83838	0.3
78.29431	0.3
81.03424	0.3
92.41327	0.3
92.99738	0.3
98.97594	5.2
101.00896	2.3
103.00649	0.4
116.98634	1.9
119.01935	5.0
121.01668	0.5
134.99753	1.3
137.02983	1.0
140.98814	0.8
142.03500	1.4
149.73605	0.3
155.25703	0.3
158.99879	2.8
160.04570	0.6
172.99872	0.3
177.00978	17.2
178.01089	1.7
179.00826	0.5
181.03462	0.9
182.99840	2.3
186.98228	1.0
187.48326	0.4
192.46854	0.3
195.02155	0.3
196.95515	1.2
199.04570	0.9
201.00932	7.9
202.01097	0.3
214.71263	0.3
214.96620	8.5
215.96660	0.6
217.95258	0.4
219.02031	100.0
220.02147	4.3
220.95457	0.5
221.02271	0.7
223.34557	0.3
226.95717	1.0
227.45837	0.6
229.46086	0.9
232.96535	0.4
233.03557	0.5
235.96275	0.4
238.46452	1.5
238.96202	2.8
239.95665	1.5
240.96664	0.5
241.46938	0.4
242.03668	3.4
244.02251	0.7
247.94177	0.5
249.97301	0.7
256.97620	28.9
257.96689	6.3
258.96393	0.9
261.03040	0.9
261.97601	0.5
262.03250	7.3
262.97180	0.9
263.02881	1.4
270.48865	0.3
272.94614	0.6
274.94644	0.6
274.97708	2.4
275.94601	0.5
275.97791	1.3
278.12402	0.6
278.44513	0.5
279.44199	0.4
279.98373	1.4
280.98135	4.3
289.45609	0.5
289.95410	0.5
292.61151	0.6
297.95761	0.3
298.98309	28.7
299.98401	0.7
304.60690	0.3
310.46503	0.4
316.99359	0.4
319.97015	0.4
321.99860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90318	1.5
55.26233	1.8
56.96572	41.6
57.03409	2.1
58.44288	1.9
60.04520	2.3
69.03422	3.5
69.07060	6.3
70.06595	10.6
70.98131	3.9
71.08636	2.4
71.54817	1.9
71.55219	2.5
71.95251	2.1
72.08173	8.7
74.97605	5.8
80.05026	1.6
83.17393	1.7
84.04505	3.2
84.08143	5.3
84.96065	2.0
85.02917	11.1
86.06060	3.7
86.09702	6.9
86.97600	3.5
91.05504	2.2
94.06576	2.4
96.84319	1.9
97.02897	6.0
97.96810	12.0
98.97593	100.0
105.03415	2.2
109.02912	3.1
110.97540	2.4
112.99142	7.0
114.09200	3.0
114.97052	4.7
115.97832	4.2
116.97314	1.8
116.98646	45.7
123.67555	1.7
124.05186	2.0
127.03933	2.4
128.98579	2.6
131.00182	28.4
132.98103	9.2
134.99686	12.7
140.00142	2.2
142.05031	3.2
142.08621	10.4
142.96504	2.3
143.00183	9.2
143.11795	2.4
146.99677	2.0
147.04375	1.7
149.01230	22.0
150.99174	14.3
157.98871	2.1
158.99704	2.6
160.97592	2.5
161.01195	13.0
163.03848	1.9
169.00211	3.6
173.01250	53.3
179.02283	3.2
184.09697	9.5
189.00722	7.5
191.02287	33.9
196.13298	2.0
205.00266	3.0
207.01773	17.5
212.78694	2.1
214.03918	3.0
217.00256	7.7
225.02913	2.0
235.01274	6.7
263.00797	19.4
269.46982	2.1
281.01807	53.9
286.02148	2.1
299.02869	10.2
318.36343	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	304.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85280	0.5
55.01867	1.0
55.05504	1.2
56.96567	4.5
68.05046	3.1
69.03437	0.8
70.02674	2.2
71.08613	1.7
79.05481	0.9
84.04500	1.2
85.02887	1.1
91.05460	0.6
97.02873	1.0
97.96799	1.2
98.97591	13.1
99.08089	1.2
103.05480	0.6
105.07071	3.1
110.97555	1.2
112.99135	1.7
115.05428	1.0
116.98610	4.2
122.06015	1.2
124.99131	0.7
128.16751	0.6
128.98587	1.0
131.00148	2.4
131.04927	0.6
132.98053	0.8
133.02867	1.3
133.06477	2.2
134.99641	1.4
137.05933	1.0
143.00183	1.0
149.01218	0.9
149.06000	0.6
158.99608	0.7
161.01215	1.5
161.06001	3.6
161.07135	0.8
163.07623	0.6
163.44261	0.6
168.08096	0.6
173.01241	4.5
173.07166	2.9
177.00703	1.0
183.09175	0.9
189.00664	1.0
191.02310	2.7
191.07117	1.1
195.09291	1.4
198.07849	1.4
198.10289	1.0
199.11095	1.8
201.10292	1.3
207.01767	1.0
207.07906	0.7
212.11894	0.8
213.10341	2.9
219.01785	1.8
222.10240	0.6
224.08099	0.8
225.09315	0.6
226.09770	8.6
227.10545	46.2
228.11307	15.1
237.02812	3.2
238.09749	0.8
240.11339	41.7
242.09206	0.6
256.10825	100.0
263.00757	1.0
268.10846	31.2
269.11057	0.6
275.88409	0.6
281.01776	3.4
286.11877	85.2
299.02771	0.9
304.05563	4.3
304.08914	1.3
304.12924	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.8
55.05508	4.2
55.28683	2.6
56.05043	4.5
56.96575	15.3
57.03439	6.2
57.89091	2.5
60.04526	12.8
61.02930	5.2
68.05028	2.9
69.03431	20.4
69.06716	5.4
69.07072	51.0
70.06594	23.9
71.06899	4.4
71.08641	22.9
71.53826	2.7
71.54242	4.6
72.08157	69.3
73.02925	3.2
74.06089	6.6
79.05435	3.5
81.03413	10.7
81.07049	2.9
84.04507	10.6
84.08143	8.1
84.96015	3.0
85.02909	74.3
86.02460	7.0
86.09695	14.8
94.06580	10.5
96.08148	3.9
97.02897	52.9
97.06553	6.3
98.97585	30.7
99.04464	4.1
101.23298	2.6
103.03939	6.6
107.04934	3.9
109.02895	12.5
112.23824	2.5
114.09151	21.3
115.97923	2.6
116.98618	14.7
120.08074	2.7
123.04436	3.2
127.03942	15.8
130.06573	4.1
131.00186	4.8
132.10164	3.8
134.08139	3.4
134.99660	5.1
138.09277	3.9
142.08640	100.0
143.11856	3.0
145.04996	7.0
149.01208	5.2
156.10159	4.5
161.01247	2.9
173.01210	11.3
176.70258	3.1
184.09695	78.6
191.02309	8.7
198.06987	3.0
208.09709	19.8
219.01732	4.2
223.07524	5.0
235.01280	3.8
239.02301	3.2
250.10791	11.8
281.01883	9.3
286.12790	3.5
287.10330	3.6
304.08182	3.1
304.16513	11.0
305.15671	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	305.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	39.6
58.37297	2.5
69.55356	5.1
69.55762	16.8
70.06592	10.1
84.08128	6.1
84.96036	10.1
86.09680	3.7
89.96425	2.7
92.80294	2.9
97.02901	3.1
98.20705	3.4
98.97599	100.0
100.99161	6.7
110.97591	26.0
112.99157	5.8
115.00676	6.5
116.98635	28.8
119.00235	3.0
122.84933	2.6
123.37252	2.6
124.66559	2.8
127.76915	3.0
128.98645	21.6
131.00198	9.3
134.99658	6.3
143.00166	9.8
144.04469	4.6
144.98170	3.8
146.99690	11.7
149.01225	4.1
152.98584	3.7
158.99669	25.3
159.03326	4.3
161.01242	4.7
161.04910	7.7
170.99715	8.0
177.00735	18.4
179.05879	7.0
189.00752	5.9
189.04428	3.0
201.00668	5.2
203.05937	5.2
219.01785	37.0
237.02821	55.6
242.03394	2.9
255.03880	4.3
302.94891	2.7
305.08990	44.3
305.12042	15.4
323.10184	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.05524	1.0
56.96563	2.1
62.06363	0.4
62.24664	0.5
67.05509	1.0
69.07073	0.5
69.96687	2.2
73.84599	0.4
79.05502	1.1
81.07058	2.1
84.96039	0.8
91.05485	3.6
93.05804	1.1
93.07065	3.8
94.06588	1.0
95.04974	1.5
95.08609	0.9
96.08116	0.9
97.06518	0.4
98.20672	0.4
98.97587	18.0
105.07047	0.7
108.08117	1.5
109.10166	0.7
110.97588	0.8
112.99142	2.3
116.98632	5.1
119.08575	0.5
121.10158	0.8
122.06035	3.8
124.07592	10.1
124.95512	1.0
126.05516	1.4
128.98640	0.9
131.00160	2.8
134.99631	1.2
136.07581	100.0
137.07918	0.5
138.09109	0.6
140.98488	0.4
142.96570	0.8
144.98122	0.8
145.12486	0.4
149.01279	1.0
150.05472	0.5
151.07581	0.5
152.07068	17.1
158.99675	4.8
160.97525	0.8
164.07069	75.2
164.86584	0.4
170.08101	4.0
173.01244	4.9
177.00722	3.0
182.08134	13.8
182.99588	0.4
184.97612	0.9
191.02269	2.9
201.00620	1.2
202.98618	2.7
208.27615	0.5
219.01697	1.2
220.99677	0.5
244.99640	1.5
245.05112	0.6
287.13910	3.3
305.08124	1.0
305.11407	1.0
305.14923	1.1
305.24582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1501
Annotation	NSC 177499
Peak:m/z	Relative Intensity
53.45993	0.8
54.86767	0.8
55.05519	1.0
56.96571	3.3
58.46098	0.7
63.13775	0.7
65.03944	0.9
67.05511	3.9
69.03437	2.0
69.07058	1.1
69.85767	0.8
70.06600	2.1
71.03667	0.7
71.03992	1.4
71.04994	3.5
79.05512	2.4
80.05013	0.9
80.27893	0.7
81.07063	3.0
82.06608	1.1
83.05011	1.2
83.08625	0.7
84.08147	1.9
84.96059	1.1
85.02901	3.7
85.06565	1.7
86.09714	1.5
91.05489	3.9
93.07065	2.2
94.06590	4.8
95.04988	2.9
96.08146	1.4
97.02927	1.9
97.10193	2.2
98.97585	7.6
101.00877	1.1
103.05532	0.9
105.68206	0.8
106.06573	1.3
107.08611	3.9
108.08124	17.4
110.06091	5.1
110.97560	1.1
116.04994	1.2
116.98637	3.0
118.06548	5.6
119.01920	2.4
119.04977	1.6
119.07330	4.4
120.08116	6.5
122.06049	5.6
123.04483	1.0
123.06824	1.9
124.07597	9.4
125.09643	6.3
128.98642	1.0
129.07077	0.8
129.10265	3.0
131.01932	1.0
134.05948	0.9
135.06885	0.8
135.08127	0.7
136.07591	100.0
138.09138	1.0
141.07863	0.8
142.08656	10.7
143.01909	1.3
143.10695	6.5
144.04443	1.3
145.03497	1.8
146.06006	5.8
146.08476	1.2
147.06784	2.3
148.07564	4.5
152.07108	2.5
154.08682	4.3
155.01968	2.5
156.08006	0.7
157.03491	0.9
160.07597	1.6
161.07162	1.2
164.07088	37.9
167.10707	1.7
168.08151	1.2
170.99622	0.7
172.03999	1.3
172.94392	1.1
173.01340	0.7
173.02989	1.7
173.10692	5.2
174.07892	1.2
175.08675	1.0
177.00792	1.7
181.08894	3.1
183.09050	0.9
184.09938	1.6
185.03012	1.1
185.10776	1.6
190.95412	1.4
195.09085	1.0
196.11247	3.3
197.02924	1.1
197.10751	2.4
198.07875	1.8
198.11493	4.9
201.10280	7.2
203.04097	1.2
203.07608	1.1
211.08704	2.9
212.09467	2.7
213.10216	6.2
213.13852	4.0
219.01857	0.9
221.05122	4.0
223.12392	1.3
224.10738	3.7
225.10283	5.2
226.11063	9.7
232.96342	1.7
237.02892	2.3
239.11859	1.0
240.08867	1.9
240.12637	2.2
241.09778	5.7
241.13370	24.9
245.02866	1.3
245.05138	12.9
251.11942	1.0
254.10547	3.6
259.11697	1.4
259.14450	24.8
263.06232	2.0
269.12885	35.7
277.15515	1.4
282.02228	1.1
287.13916	39.5
305.14975	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Agallochin I
Peak:m/z	Relative Intensity
51.33453	4.5
55.05510	19.4
57.07100	6.1
59.05004	63.2
65.03915	6.4
67.05502	16.8
69.03445	5.0
69.07069	12.7
71.04957	6.0
71.54952	5.6
72.04525	4.9
72.05692	5.2
78.95123	5.2
79.05494	24.4
81.07037	18.8
83.04981	6.7
83.08636	8.0
85.06541	33.8
91.05486	55.1
91.63718	4.9
93.07060	44.7
95.04987	5.9
95.08611	22.3
97.06523	6.9
99.04458	7.3
105.07024	48.9
107.08617	33.7
109.06516	18.4
109.10151	9.8
115.05466	9.9
117.07029	23.2
119.08581	43.8
121.06502	8.1
121.10163	54.4
123.08067	31.1
125.09642	20.8
129.07024	8.3
131.08586	18.4
133.06544	5.3
133.10136	11.7
135.08072	39.2
137.05998	6.0
137.09619	8.0
142.07803	12.5
143.08548	11.5
145.10170	31.9
147.08064	7.8
147.11659	9.1
149.09616	40.7
150.10434	67.9
151.11198	56.7
155.08595	6.5
155.10663	9.0
156.09352	5.7
157.10175	24.6
159.11624	9.6
161.09610	9.0
163.11192	8.1
165.09129	23.9
167.08623	5.9
167.10721	36.0
169.10165	9.9
170.70714	6.1
171.11725	17.1
173.09673	11.8
173.13298	10.8
175.11241	12.2
177.12685	8.4
179.10463	5.0
181.10094	12.3
182.10889	10.6
187.11140	7.6
189.12767	9.6
193.10152	6.1
195.11620	9.9
197.13283	16.3
199.11195	8.8
205.12222	38.1
205.15875	11.6
207.11769	6.5
207.75354	4.8
213.12672	9.1
213.16443	9.9
215.14178	10.0
217.15973	6.6
222.13959	8.9
229.15938	14.5
237.16383	12.0
239.14211	6.9
255.17409	19.1
269.18970	11.7
273.18546	8.9
287.20123	91.6
290.80652	5.1
305.21182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26685	0.3
66.04734	0.3
67.05490	0.7
69.07073	1.2
70.66496	0.8
79.05497	1.0
81.03450	0.3
81.07060	0.8
84.06670	0.3
91.05467	0.7
94.04195	2.3
95.08595	0.6
97.06544	0.6
100.07602	0.3
107.08592	0.6
109.10165	0.9
114.09157	0.6
122.03667	7.4
122.36269	0.3
128.86378	0.3
133.10143	0.9
133.92010	0.3
135.11719	1.2
137.05991	100.0
139.90518	0.3
149.75354	0.3
151.11171	0.3
153.12776	1.1
157.94162	0.3
170.15404	2.2
179.73720	0.3
181.20139	0.3
182.15439	2.5
306.20682	0.9
325.70261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45299	1.2
54.46348	0.9
55.01878	2.6
55.05520	4.6
56.96558	1.8
57.07085	4.6
65.03956	1.1
67.05238	0.8
67.05511	11.5
69.03434	1.9
69.07080	7.5
70.06599	1.5
71.04971	1.5
71.08639	6.1
75.61373	0.8
76.61745	1.0
79.05512	6.6
81.07067	12.5
83.04987	1.8
83.08601	1.9
84.96080	0.9
85.06538	1.5
86.06052	1.4
91.05491	4.8
92.24931	0.9
93.07056	10.2
94.04195	2.0
94.07421	1.1
94.87428	0.9
95.04988	11.7
95.08624	15.5
97.06532	5.2
97.10141	1.4
98.20721	2.1
99.08092	3.9
100.07614	2.1
105.07034	7.1
107.08589	8.2
109.06532	18.6
109.10186	5.3
111.08041	1.0
111.56212	1.0
116.39479	0.9
119.08598	6.1
120.91727	1.0
121.06532	4.7
121.10143	3.6
122.03677	6.7
123.08065	1.5
125.09621	1.3
129.07022	1.2
131.08592	4.5
133.10162	5.4
135.08061	4.7
135.11705	2.4
137.05995	100.0
137.09589	3.4
143.70308	0.9
145.10147	2.9
147.11711	2.5
149.13295	2.2
151.11201	0.9
153.12720	2.8
154.12288	3.2
157.10135	1.4
159.11697	1.6
161.13226	1.6
163.11201	3.7
163.14861	2.4
165.12778	49.1
170.15382	1.9
171.11664	1.2
173.13316	4.9
175.11224	3.1
177.12761	3.1
182.15489	1.8
183.15570	0.9
184.13380	2.0
191.14326	8.8
192.13947	1.1
201.12788	1.9
233.15445	1.1
243.21136	1.6
261.22238	4.4
271.20618	2.7
289.21652	38.2
301.97989	1.1
306.21167	2.0
306.24329	24.4
306.27686	1.4
306.31635	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	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04440	6.7
70.06585	7.6
71.54318	10.4
76.67206	7.1
82.35683	7.5
98.44741	6.7
116.31856	6.7
147.57985	7.5
202.89091	39.2
216.35950	7.7
307.04529	14.4
307.07843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75438	4.4
54.75320	3.4
56.96571	38.8
58.22359	3.7
68.90525	3.8
69.03442	4.0
70.06587	11.4
70.98106	7.7
82.99863	4.0
84.04505	4.7
84.96032	6.8
85.02923	7.4
88.17117	3.7
98.97593	63.2
101.00379	5.1
101.00898	63.5
103.02433	5.2
110.97570	18.3
113.00887	16.5
115.02409	21.7
116.98643	16.2
117.03936	4.8
119.01926	85.0
121.01691	4.5
128.98602	16.2
129.03984	7.0
131.00249	4.9
131.01936	20.6
133.01601	6.2
133.03458	17.8
137.02933	8.7
138.11963	4.5
143.00177	6.2
143.01917	28.9
145.01730	4.5
145.03481	25.1
146.99684	8.3
147.05051	6.6
149.03024	5.4
152.98503	5.7
155.01865	14.8
157.03519	19.7
158.99625	7.3
161.02992	36.1
163.02705	8.2
163.04492	5.5
167.01926	4.7
168.99797	9.8
170.96075	4.7
170.99686	7.3
172.97589	8.7
173.02975	16.1
175.04550	9.2
177.02449	13.9
185.02911	5.7
187.00865	26.1
187.02592	7.8
187.04468	7.1
188.97025	7.7
189.00685	4.0
190.98640	5.9
196.99274	7.6
199.00920	5.6
203.04015	7.4
205.01976	8.9
205.05589	5.0
215.00400	28.7
219.01712	13.2
219.03566	12.6
221.05054	16.3
229.01991	16.0
237.02841	16.8
241.10315	5.5
247.02956	58.6
247.06937	21.0
251.00679	6.4
265.03592	6.5
265.07758	24.5
283.07285	5.1
307.07895	100.0
325.08212	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
55.01884	2.2
56.96582	5.5
56.96806	1.0
57.03445	5.3
59.98112	0.9
61.02919	3.1
67.05510	1.0
69.03434	36.0
69.07053	1.5
69.39017	7.8
71.01369	1.1
71.04992	7.3
73.02907	5.0
79.05496	1.0
81.03423	30.9
81.07042	2.3
83.05016	1.1
85.02911	84.7
86.09670	0.9
87.04494	1.4
91.03946	1.4
91.05465	3.3
93.07063	1.0
95.04923	1.4
97.02290	1.5
97.02903	29.0
97.06533	2.1
98.97587	2.3
99.04463	48.4
103.03950	87.2
105.07066	1.5
109.02892	24.3
110.09705	1.1
113.86146	1.0
115.03881	1.5
124.07600	2.5
127.03925	100.0
139.03905	1.4
139.09572	0.9
143.00133	1.7
145.04962	25.7
147.04472	1.6
163.03914	0.9
163.06052	5.4
187.06009	15.7
187.07510	1.9
205.07069	7.4
219.08040	1.1
241.08701	1.9
249.02834	1.3
251.10632	2.0
254.06502	0.9
264.07938	1.4
271.08112	1.9
279.09778	1.2
289.12125	1.5
307.09549	3.5
307.12860	1.3
307.18997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.9
55.01875	2.5
56.96572	1.4
57.03445	6.0
61.02926	3.1
67.04234	1.0
69.03079	1.7
69.03440	31.7
71.04999	6.9
71.14227	2.3
73.02933	5.3
79.05508	1.0
81.02983	1.6
81.03435	27.2
81.07062	2.7
85.02917	83.3
91.03931	1.5
91.05470	3.6
93.07038	2.4
95.04965	1.1
95.08603	3.1
97.02908	30.2
98.97576	3.6
99.04469	43.5
103.03955	88.6
105.07059	2.2
107.08611	3.4
109.02888	22.4
110.09679	2.8
110.97591	1.1
111.08102	1.1
115.03968	1.4
119.08605	1.5
121.01094	1.1
121.06511	1.2
121.10194	1.2
123.08067	7.7
123.11787	1.5
127.03934	100.0
130.06563	4.1
135.11690	1.7
137.09642	3.5
145.04974	25.2
147.04358	1.2
147.11671	1.6
157.07640	2.8
158.06024	4.5
163.06024	4.9
175.08832	1.1
187.06036	13.1
205.07094	7.8
271.08377	2.4
289.21457	1.1
307.09668	1.6
307.22720	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	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
55.01884	2.2
56.96582	5.5
56.96806	1.0
57.03445	5.3
59.98112	0.9
61.02919	3.1
67.05510	1.0
69.03434	36.0
69.07053	1.5
69.39017	7.8
71.01369	1.1
71.04992	7.3
73.02907	5.0
79.05496	1.0
81.03423	30.9
81.07042	2.3
83.05016	1.1
85.02911	84.7
86.09670	0.9
87.04494	1.4
91.03946	1.4
91.05465	3.3
93.07063	1.0
95.04923	1.4
97.02290	1.5
97.02903	29.0
97.06533	2.1
98.97587	2.3
99.04463	48.4
103.03950	87.2
105.07066	1.5
109.02892	24.3
110.09705	1.1
113.86146	1.0
115.03881	1.5
124.07600	2.5
127.03925	100.0
139.03905	1.4
139.09572	0.9
143.00133	1.7
145.04962	25.7
147.04472	1.6
163.03914	0.9
163.06052	5.4
187.06009	15.7
187.07510	1.9
205.07069	7.4
219.08040	1.1
241.08701	1.9
249.02834	1.3
251.10632	2.0
254.06502	0.9
264.07938	1.4
271.08112	1.9
279.09778	1.2
289.12125	1.5
307.09549	3.5
307.12860	1.3
307.18997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01863	2.3
55.05503	1.5
56.96551	1.2
57.03227	0.6
57.03437	6.2
58.25554	0.8
58.61482	0.8
61.02917	3.0
67.05511	1.3
69.03431	32.2
69.07073	0.9
70.02352	3.0
71.04993	7.1
73.02927	4.3
76.02275	0.8
79.05479	1.6
80.17611	0.6
81.03419	28.3
81.07055	2.0
83.04969	0.9
85.02905	87.1
87.04503	0.8
93.07052	1.5
95.08591	1.5
97.02896	26.6
97.06527	1.6
98.21500	0.9
99.04456	47.5
103.03943	86.7
105.07008	0.9
109.02131	1.2
109.02881	23.4
110.09633	0.8
111.04471	0.7
115.03869	0.8
119.08498	0.8
121.10226	0.9
127.03917	100.0
135.07967	0.8
139.03879	1.8
145.04962	28.7
163.03894	1.2
163.06015	4.6
163.11147	0.9
169.04924	1.0
172.56560	0.7
176.35440	0.7
187.06020	15.0
205.07103	5.4
236.08362	1.0
256.23312	0.8
257.56082	0.8
259.09521	1.4
264.07724	1.1
271.08096	2.2
271.32199	0.7
292.07245	1.9
307.09625	3.2
307.12692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03750	0.7
53.03944	7.9
55.01855	2.2
55.05485	0.8
56.96553	1.1
57.03442	5.5
57.86248	0.7
61.02924	4.2
61.21990	0.9
69.03432	29.3
70.06578	1.4
71.04995	7.4
71.07727	1.0
73.02921	8.0
81.03419	25.0
81.07062	0.9
83.04981	0.8
85.02908	82.7
87.04473	1.8
91.03913	1.0
95.08631	0.9
97.02298	1.5
97.02895	27.6
98.97572	2.3
99.04458	52.0
101.02385	1.2
103.03945	78.1
105.07009	1.2
107.08614	1.0
109.02129	1.2
109.02880	20.9
110.09673	0.9
115.03876	1.3
121.06456	0.9
121.10120	0.9
127.03919	100.0
137.05911	0.8
145.04968	31.7
154.50742	0.7
163.03940	1.6
163.06042	5.5
169.04951	1.0
177.05437	2.0
179.03342	1.1
187.06013	11.6
205.05096	1.9
205.07057	3.3
253.07059	0.9
264.07407	0.8
271.08112	2.7
279.10178	1.0
284.08856	1.6
307.18997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83353	0.5
56.05043	2.9
56.59045	0.6
56.96576	1.3
58.06606	4.1
69.88109	2.4
70.06596	1.2
75.02690	0.8
84.04131	0.7
84.04514	30.6
84.08153	100.0
85.02895	0.8
85.08514	0.5
86.06075	7.2
86.09713	7.6
88.03996	4.3
97.02935	0.8
98.21469	1.0
98.97603	2.0
107.14651	0.6
110.09722	0.9
110.97584	0.8
113.07132	0.8
116.98640	0.8
127.03903	0.9
130.08690	1.1
141.13872	7.0
144.10207	1.1
146.06046	1.8
149.24202	0.6
169.13380	11.6
169.14705	0.9
185.34450	0.5
191.03976	0.7
198.11273	1.2
215.13936	43.6
243.17079	43.6
244.17451	0.7
262.11102	2.3
275.47101	0.5
299.08511	0.5
307.16873	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	307.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.5
55.01863	13.7
55.05522	33.9
56.96565	12.8
57.03440	18.4
65.03938	4.5
66.69810	3.0
67.05514	49.0
69.03414	5.5
69.07063	23.5
71.04989	7.2
79.05498	44.9
81.03425	14.0
81.07063	58.4
83.04980	15.4
83.08183	3.2
83.08601	15.9
85.02902	3.8
85.06521	6.2
91.05486	67.2
93.06476	5.9
93.07048	100.0
95.04978	34.4
95.08054	4.7
95.08613	55.2
97.06565	15.3
97.10178	12.3
98.21629	5.4
99.04446	3.2
103.05459	13.4
105.07043	36.8
107.04961	19.3
107.08606	24.8
109.06512	12.3
109.10156	24.9
110.09704	3.6
111.04434	4.5
111.08076	5.3
115.05454	4.0
117.07020	11.5
118.86378	2.7
119.04929	4.3
119.08620	20.6
121.02872	27.0
121.06522	81.7
121.10139	18.9
123.04440	3.9
123.08053	11.3
123.11691	6.2
125.09630	13.5
128.06198	4.3
129.06982	7.2
131.04958	3.9
131.08595	19.7
133.06494	17.2
133.10159	14.4
134.99695	3.7
135.08073	15.5
135.11714	5.3
137.09641	16.5
143.00111	4.2
143.08562	9.0
145.06494	7.6
145.10146	10.3
147.08069	9.0
147.11694	7.5
147.23691	3.3
149.05957	10.0
149.09631	13.0
151.07553	7.4
152.90096	2.9
153.09128	4.7
155.08536	4.0
157.10144	7.3
159.04507	3.3
159.08063	12.8
159.11731	6.3
160.71848	3.0
161.09608	7.4
163.03955	7.4
163.07545	25.3
163.11180	4.0
166.22198	2.9
167.10677	5.8
169.10194	7.3
170.99217	2.9
171.11707	5.0
173.09595	8.6
173.13229	3.4
177.09160	4.2
185.13480	4.0
187.11226	3.5
189.00664	3.1
189.11238	5.3
191.10555	5.5
195.10130	5.0
197.13252	3.2
205.12260	2.9
225.47449	3.1
233.15340	6.1
243.17441	9.0
247.07492	3.7
249.02831	5.9
261.18439	9.1
267.03748	3.4
271.16879	10.8
289.14911	5.4
289.18002	58.3
307.05923	3.3
307.09576	8.9
307.13297	13.8
307.18875	31.4
307.26462	5.2
313.35062	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2057
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03947	4.0
55.01870	5.8
55.05499	7.2
56.96577	13.7
57.03433	5.6
65.03944	2.7
67.05515	14.1
69.03419	3.4
69.07076	10.5
71.04984	2.0
71.54904	3.3
79.05496	20.7
81.03409	2.6
81.07059	25.1
83.04978	4.3
84.96027	2.1
91.05491	22.3
93.07050	21.2
95.04984	27.0
95.08624	13.7
96.53153	2.1
96.68285	2.1
97.06534	14.4
105.07030	35.7
107.04979	4.1
107.08593	12.8
109.06539	7.2
109.10171	4.1
113.35250	1.9
115.05453	3.5
117.07020	12.7
119.08590	37.3
121.02891	3.6
121.06537	5.4
121.10178	11.4
124.99113	2.9
128.06242	9.5
129.07031	10.3
130.07808	4.0
130.92979	2.5
131.08582	19.7
133.06493	2.5
133.10133	45.3
135.08081	3.5
135.11620	2.4
139.11249	3.8
139.91031	2.2
141.07031	8.9
142.07774	12.2
142.48582	2.5
143.00195	3.3
143.08582	31.4
144.09363	5.9
145.10129	25.5
147.08035	7.5
147.11737	6.2
153.07025	3.7
154.07784	6.8
155.08569	11.8
156.09367	8.4
157.10139	23.8
158.10910	9.3
159.08057	3.2
159.11702	18.0
161.09636	9.4
161.13242	2.7
163.03905	5.9
165.06985	3.5
167.08592	13.9
168.09341	3.4
169.10191	20.0
170.10953	3.2
171.11705	15.0
173.13190	11.2
175.11185	3.4
179.08621	8.7
180.09340	4.8
181.10114	11.8
182.10870	11.0
183.08205	2.6
183.11768	11.1
185.09532	3.5
185.13275	2.4
187.11150	5.7
189.00784	3.8
192.09280	5.0
193.10121	14.2
194.10934	7.6
195.11647	15.0
196.12497	2.7
197.13295	21.2
198.14038	2.9
199.11234	2.9
199.14822	5.3
205.10248	8.2
206.10925	9.2
207.11742	18.3
208.12480	9.6
209.13310	13.5
211.14853	9.8
213.12622	2.6
217.10223	4.3
218.10919	4.3
219.11678	7.5
220.12514	5.1
221.13271	20.3
222.14032	5.8
223.14835	13.1
227.14450	2.7
231.11763	4.2
232.12465	3.4
233.13297	13.9
234.14053	8.8
235.14867	9.1
236.11995	2.6
236.15665	3.4
237.16351	7.9
245.13283	5.0
246.14037	4.7
247.14833	8.2
248.15680	4.1
249.02872	3.5
249.16505	8.7
251.14381	8.7
254.00426	2.4
257.87027	2.4
259.14880	7.5
261.02963	2.6
261.16412	3.3
263.17963	24.4
265.16028	4.2
265.19565	2.9
267.03848	6.3
274.17197	11.5
279.21124	7.7
289.19901	12.9
301.14420	8.5
307.09814	3.8
307.13208	3.6
307.20615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2271
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.72097	2.0
51.99372	1.7
53.03959	3.9
55.01879	12.7
55.05521	33.1
56.17247	1.7
57.03443	4.7
57.07073	4.5
58.19357	1.8
59.04993	2.7
67.05509	38.4
68.05874	1.7
69.03429	2.4
69.07077	27.3
71.04987	5.5
71.08643	2.5
75.60304	1.7
79.05062	2.9
79.05498	31.2
81.03410	3.9
81.07064	44.2
83.04983	8.3
83.08627	11.9
84.04009	2.1
84.49713	1.9
85.06551	4.0
85.10217	1.7
91.05494	23.7
93.07057	27.6
95.04980	19.0
95.08625	33.0
97.06535	22.6
97.10190	11.6
98.06068	7.5
105.07040	28.2
107.04965	7.6
107.08606	41.6
109.06533	80.7
109.10171	14.3
110.09694	2.8
111.08097	5.2
117.07005	10.8
119.08590	19.4
121.02924	2.2
121.06505	5.2
121.10149	11.9
122.07219	2.0
123.08125	9.3
123.11730	3.9
125.09679	11.0
129.06966	4.7
131.08583	10.7
133.10153	13.8
135.08061	9.7
135.11716	6.5
137.05991	4.9
137.09650	7.0
138.06337	3.3
139.11163	2.9
143.08598	2.3
145.10141	10.8
147.11720	12.3
149.09642	15.8
149.13388	2.5
151.11177	6.0
153.09105	2.0
153.15970	1.8
157.10158	3.2
159.11714	8.9
161.13251	5.4
163.11215	8.0
163.14844	2.1
165.12773	27.8
169.10091	2.0
171.11717	5.1
173.13281	8.1
175.11200	2.8
177.12796	3.3
187.11307	2.9
187.14771	2.1
191.14412	4.7
195.11978	1.9
197.13321	3.6
203.12817	7.6
215.18129	1.8
219.17422	3.4
229.19592	3.2
233.15358	4.0
234.06026	1.9
239.17946	2.3
247.20583	4.0
251.16507	17.3
257.19083	7.8
261.03168	2.8
271.20590	2.4
275.20105	44.8
289.12262	4.2
289.21716	15.8
307.22726	100.0
307.28293	66.6
309.68976	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30947	1.0
53.03947	3.4
54.86405	1.1
55.01870	3.7
55.05518	14.0
57.03198	1.2
57.03447	21.7
57.07075	1.4
65.03901	1.1
67.05174	1.4
67.05512	21.6
69.03421	1.5
69.07079	10.3
71.04990	1.7
72.40585	1.2
79.05075	1.8
79.05505	26.7
81.03425	3.1
81.07066	43.0
83.04975	4.9
83.08620	5.8
85.06541	5.3
91.05489	26.0
93.07056	28.5
95.04971	5.1
95.08617	22.7
97.06510	4.8
97.10165	3.3
98.20750	3.2
99.04476	3.5
99.08101	1.5
105.06400	1.7
105.07052	21.0
107.04946	4.0
107.08607	13.6
109.06539	12.7
109.10160	8.2
111.08124	1.1
111.34139	1.0
117.07032	12.4
119.08592	16.2
121.06525	3.4
121.10152	9.1
123.08064	4.7
123.11703	2.7
125.09657	3.3
129.07042	1.9
131.08569	15.9
133.10144	12.2
135.08067	3.4
135.11758	5.8
137.05994	1.3
137.09618	4.9
143.08572	2.6
145.10141	8.4
147.11699	4.2
149.09608	5.9
149.13243	2.6
151.11234	1.6
153.12854	1.3
157.10130	2.8
159.11723	7.3
161.13255	3.9
163.11221	1.5
165.12727	1.4
167.18060	1.2
169.10132	1.3
171.11571	1.1
173.13257	2.6
175.14854	2.7
177.12746	1.3
185.13310	8.1
201.16360	3.7
203.14340	9.1
209.13309	1.3
219.17467	100.0
229.19508	1.3
235.16913	5.5
239.18042	1.6
242.53667	1.4
246.10362	1.8
257.19034	3.8
274.09824	2.2
275.20117	21.5
286.73071	1.1
289.12250	5.0
289.21515	1.5
307.19196	1.6
307.22574	5.5
307.25894	2.4
307.28503	2.4
317.22012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
53.71000	0.8
55.01865	1.3
55.05513	5.8
55.58023	1.0
56.96572	9.6
57.03428	1.5
57.07070	1.9
57.67049	0.8
58.06596	2.7
67.05512	6.4
69.03420	1.9
69.07075	9.3
70.06603	4.6
71.05000	3.0
71.06913	1.2
71.55347	1.6
73.06552	1.2
79.05497	5.0
80.05013	1.4
81.03410	2.0
81.07063	9.7
82.06576	1.5
83.04980	1.8
83.08615	1.9
84.08150	1.1
84.96011	0.9
85.06549	2.1
88.07628	1.8
91.05480	3.3
91.19894	0.9
93.06657	0.7
93.07063	7.5
94.06571	2.3
95.04983	3.2
95.08613	8.0
96.08143	1.4
97.06554	10.5
97.10178	1.8
98.97585	2.0
103.05471	1.0
105.07051	2.9
106.06572	2.4
107.04918	1.1
107.07328	3.7
107.08570	4.4
108.08119	11.3
109.02882	1.6
109.06497	2.2
109.10148	4.5
109.10846	0.8
110.09673	5.9
111.04440	1.2
115.33387	0.8
119.07280	1.0
119.08617	3.3
120.08092	9.1
121.02859	1.9
121.08894	12.4
121.10149	3.7
122.09676	100.0
123.08094	1.6
123.11682	1.9
124.99133	1.0
125.09673	1.6
130.96028	0.9
131.08565	1.9
131.13831	1.0
132.08096	2.1
132.10240	1.2
133.08881	1.2
134.09669	18.0
135.08046	1.3
135.10414	0.9
135.11705	2.1
136.11198	2.6
136.97403	1.0
137.09590	1.1
138.09203	0.9
143.00188	2.8
145.10114	1.6
145.75725	0.9
146.09654	4.2
146.11795	1.7
147.10429	3.1
147.11710	1.5
148.11227	6.9
149.13278	2.1
161.01175	1.6
161.02353	1.6
161.12006	1.1
162.12866	2.1
163.03923	3.4
163.07516	1.8
167.03584	0.9
170.99648	1.5
173.02370	3.6
176.04091	1.1
176.14333	1.1
187.02782	1.4
189.00740	1.2
189.11235	1.2
201.20422	3.4
213.00677	1.2
215.06995	4.1
218.19118	6.3
231.01852	3.0
234.18488	2.5
236.55481	1.7
245.23122	7.6
246.18549	36.2
249.02866	3.3
252.19656	3.2
259.09656	8.5
260.10022	2.0
264.19595	85.0
267.03909	2.4
272.04495	1.8
272.20203	1.0
285.10278	1.1
289.18076	2.3
290.05688	1.0
290.21158	66.6
307.09787	1.9
307.15530	1.8
307.19003	1.9
307.23737	20.9
307.26727	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	308.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.9
57.07095	2.1
57.82745	2.0
59.85243	2.2
69.03435	3.9
70.06602	10.4
71.53843	2.2
72.08159	5.3
73.02919	2.7
76.02226	5.8
79.74822	2.0
81.07110	2.2
84.04505	5.6
84.08143	10.0
85.02894	6.3
86.09741	3.8
91.05511	3.6
93.07032	2.6
97.02907	2.3
98.97581	6.9
103.05446	3.7
105.03384	3.9
115.08706	56.6
119.04963	3.2
120.08119	100.0
142.08684	3.1
143.08171	35.2
146.06001	2.7
147.04442	9.1
158.06102	2.9
163.03879	3.9
166.07225	3.5
166.08647	64.7
177.05568	2.2
179.04845	2.9
199.18787	2.2
228.07561	2.8
231.53372	2.1
237.12372	14.9
285.07596	3.9
290.10129	2.7
293.09052	2.7
303.08688	4.3
308.07703	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	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03948	0.4
55.01883	0.4
55.05502	0.5
57.07084	0.5
58.02979	0.3
65.03950	0.3
67.05505	0.8
67.14967	0.3
69.07072	1.0
71.08630	0.8
72.66640	0.2
75.25849	0.2
77.50984	0.3
77.86317	0.3
79.05499	1.4
81.07064	2.3
83.08619	0.4
85.10214	0.3
86.09716	0.3
86.19372	0.2
91.05484	1.1
93.07043	1.0
94.04182	2.0
95.04984	0.6
95.08636	1.4
95.50286	0.2
105.07027	0.5
107.04963	1.2
107.08617	0.7
109.06541	1.4
109.10199	0.4
119.08576	0.4
121.10199	0.3
122.03658	7.0
133.10104	0.3
137.05988	100.0
137.13261	0.6
138.06348	0.6
145.10165	0.4
153.12718	0.4
165.12761	1.2
172.17007	1.1
184.16997	2.6
219.23962	0.3
255.23990	0.3
291.23151	2.9
308.22842	0.9
308.25937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
55.01875	8.0
55.05301	1.3
55.05515	12.9
56.96560	2.6
57.03442	19.9
65.03933	3.8
67.05510	36.9
69.03423	2.9
69.07063	5.8
70.55790	1.3
71.01378	6.5
71.04990	2.0
71.54819	1.7
79.05064	2.1
79.05496	27.9
81.03423	30.6
81.06642	1.9
81.07067	20.0
83.04982	7.7
83.08619	6.6
85.02891	2.1
85.06542	2.6
87.04447	1.1
87.70832	1.1
91.05486	23.4
93.06485	1.6
93.07045	22.8
95.04974	100.0
95.08613	11.6
97.02916	2.7
97.06528	4.7
97.10165	7.1
98.97607	2.0
99.04405	2.3
103.03967	7.8
103.05471	2.9
105.07042	13.6
107.04967	14.2
107.08604	15.8
109.02890	15.4
109.06515	6.5
109.10171	6.5
111.04443	3.3
111.08058	2.3
115.05438	2.1
117.07010	9.8
119.04928	3.1
119.08586	14.1
121.06525	7.8
121.10145	8.2
123.04433	67.8
123.08039	2.8
124.70384	1.2
125.06052	1.3
125.09634	4.9
127.03944	1.5
128.06168	2.3
129.07013	9.3
130.07825	1.8
131.04919	3.2
131.08577	6.4
133.06487	5.0
133.10158	4.5
135.08058	7.2
135.11696	9.7
137.05997	4.9
137.09633	1.7
139.03947	2.7
143.08554	5.3
145.06493	2.6
145.10121	15.3
147.04390	9.7
147.08052	9.2
147.11687	4.5
149.05994	3.4
149.09621	3.7
153.09143	7.0
155.08463	1.2
157.06502	2.0
157.10136	2.1
161.05969	2.0
161.09557	1.9
161.13271	2.6
163.11194	25.2
165.12735	1.7
171.11696	8.4
173.09676	9.1
175.11212	2.2
177.05499	1.7
179.08585	1.6
184.06657	1.3
189.11136	2.6
189.12709	12.6
191.10634	6.3
193.12209	1.4
199.11214	3.7
207.13791	19.5
217.12221	10.3
221.05812	1.7
235.13295	67.4
249.09091	3.4
253.14410	1.6
263.06989	2.5
263.16589	2.4
267.71747	1.2
271.05914	2.0
281.11783	3.3
309.08267	6.4
309.11237	3.9
309.16974	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03957	11.4
55.01867	17.6
55.05519	60.8
56.96564	31.3
57.03442	28.5
57.07085	7.0
59.05004	10.7
65.42953	5.5
67.05515	70.2
69.03437	7.1
69.07068	54.7
69.20552	37.7
69.20977	15.7
71.04987	7.2
73.58553	5.6
77.38258	5.2
79.05506	65.2
81.03414	18.6
81.07066	100.0
83.04989	17.5
83.08633	35.1
85.06550	16.2
91.05476	52.8
93.07043	46.4
95.04971	33.0
95.08620	36.7
97.06553	26.0
97.10172	32.6
98.21472	9.6
99.08110	10.8
105.07041	36.8
107.04968	35.2
107.08607	42.5
109.06535	27.7
109.10171	25.5
110.73127	5.6
111.04485	8.8
111.08102	10.9
111.11704	6.9
111.24101	5.5
117.07006	38.3
119.08607	63.9
121.06525	17.0
121.10130	22.5
123.04430	5.1
123.08062	17.8
123.11674	5.3
125.09632	29.2
129.07042	9.8
131.08566	28.6
133.06479	8.2
133.10149	18.1
135.08084	21.4
135.11726	8.3
137.09622	7.3
143.00131	6.6
143.08577	13.0
145.10136	19.4
147.04437	9.5
147.08063	33.1
147.11688	12.1
157.10153	14.3
159.11588	12.7
161.09679	11.1
165.09212	9.1
171.11766	8.0
175.11243	6.0
179.10733	7.7
182.15540	10.7
189.11212	13.0
190.95470	11.8
210.14871	12.2
212.93547	9.5
213.05528	7.5
217.15858	9.0
219.08022	5.3
219.13786	13.6
229.16656	5.3
235.17084	6.2
249.14972	12.7
250.09976	11.9
254.94525	9.5
264.11569	5.2
267.09067	10.3
267.62720	6.3
268.09460	7.8
273.18527	59.2
276.11557	7.2
281.15097	5.5
285.10040	8.1
291.19577	95.4
309.07468	16.5
309.11133	21.9
309.14709	13.4
309.27795	11.2
310.10562	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.02393	0.8
53.03946	2.5
55.01876	5.3
55.05516	18.6
56.96555	0.8
57.03445	1.4
57.07078	1.9
59.04995	1.3
65.03932	1.5
67.05512	25.5
69.03426	2.0
69.07079	5.2
69.50786	0.6
71.04995	2.1
71.54803	0.7
71.55215	0.8
72.11375	0.6
75.25264	0.6
79.05503	41.3
81.03411	2.4
81.07066	16.7
82.03716	0.6
83.04976	2.6
83.08623	9.9
91.05491	20.9
93.07056	19.7
95.04977	8.4
95.08620	8.7
97.06565	1.8
97.10188	11.5
98.13622	0.6
98.97578	0.9
103.05490	1.0
104.12850	0.6
105.04533	1.3
105.06393	0.9
105.07050	10.3
107.04965	100.0
107.08602	18.9
109.02914	0.9
109.06540	2.6
109.10161	20.3
111.04411	0.8
111.08097	1.2
113.14088	0.6
115.05450	2.0
117.07033	9.4
119.04930	0.8
119.08586	23.2
119.56542	0.7
120.05721	0.6
121.06541	1.5
121.10156	8.5
123.04464	1.0
123.08102	1.3
123.11716	0.8
125.09639	8.7
125.35413	0.6
128.06226	1.0
129.07024	4.1
130.93344	0.7
131.08583	7.3
133.06532	2.1
133.10091	4.2
135.08069	45.9
135.11705	2.5
137.09621	8.8
139.11162	0.7
142.07874	0.7
143.08582	3.0
145.10146	7.9
147.08046	8.8
147.11679	1.1
149.09697	3.6
149.13251	0.9
155.08635	1.0
155.10689	4.4
157.10110	3.5
159.08058	1.0
159.11710	3.0
161.09662	2.6
163.11282	1.6
165.09123	5.1
171.10251	1.1
171.11729	2.1
173.11772	18.8
175.11238	2.2
177.09103	0.9
181.12245	1.0
183.10269	1.1
189.11174	5.1
189.12724	1.0
190.95392	0.9
195.11702	1.2
199.11252	0.7
209.13391	0.8
211.14909	1.1
212.93587	1.8
227.17973	0.8
230.94554	1.0
237.16469	1.2
245.19151	1.4
249.18649	0.7
254.94769	1.7
255.17461	1.8
273.18533	17.2
291.19550	21.0
309.17511	0.9
309.20929	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	6.6
54.60707	2.4
55.01878	21.9
55.05518	40.9
56.59590	2.8
57.03428	4.2
57.07072	4.6
65.03928	3.8
67.05515	88.1
69.03430	3.9
69.07078	31.7
69.86189	2.6
69.88731	12.8
71.04993	9.5
71.08639	5.2
71.84061	2.4
77.03973	2.9
79.05505	59.0
81.03414	9.6
81.07069	100.0
83.04978	20.3
83.08621	12.4
85.02927	3.8
85.06533	6.1
91.05496	64.7
93.07054	58.8
95.04964	18.8
95.08621	47.1
97.02888	4.9
97.06544	8.0
97.10205	5.3
99.04487	5.1
99.08107	4.3
105.07047	62.7
107.04957	10.2
107.08607	53.3
109.06515	10.9
109.10173	85.5
111.04449	9.6
111.08099	11.7
113.05988	2.6
117.07041	11.1
119.08601	21.3
121.06528	13.9
121.10173	19.8
123.08085	14.3
123.11709	12.7
125.06021	3.7
125.09637	5.2
126.97637	3.5
127.07582	4.3
129.07030	7.5
131.08588	16.6
133.06497	7.9
133.10150	87.5
135.08075	7.3
135.11711	9.9
137.05983	4.1
137.09657	3.8
139.07584	7.8
143.08586	10.3
145.10121	13.7
147.08073	10.1
147.11658	6.4
149.09650	8.8
149.13319	3.4
150.93724	2.5
151.11209	55.0
156.97441	3.7
157.10159	8.7
159.11716	8.1
161.09650	10.2
161.13272	4.2
165.09132	6.1
165.12781	3.4
167.10690	8.0
169.12273	14.4
171.11710	7.9
173.09663	3.1
175.11235	6.4
177.09087	3.6
179.10699	3.5
185.13322	5.4
187.11121	2.7
187.31248	2.8
189.12778	3.4
193.12177	5.7
197.13293	3.0
199.11118	3.8
212.93529	3.3
217.12192	3.7
227.17957	5.0
245.19095	17.7
254.94601	3.3
255.17615	4.3
263.20084	8.3
273.18518	33.9
291.19571	72.1
301.01749	5.8
309.13504	4.1
309.20313	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.25998	4.0
53.03941	6.9
55.01870	21.9
55.05521	30.5
56.96570	12.4
57.03437	16.7
57.07083	6.4
67.05508	58.3
68.50546	4.1
69.03433	9.1
69.07074	21.9
69.18063	4.0
70.18571	13.8
71.05017	8.4
79.05489	53.0
81.03416	9.1
81.07061	95.6
83.04984	23.6
83.08636	13.8
85.02893	7.5
85.06545	15.8
91.05473	35.5
93.07048	47.6
95.04963	33.2
95.08618	24.8
97.06527	13.6
97.10163	15.0
98.97557	4.5
105.07034	25.7
107.04967	11.9
107.08598	26.9
109.06541	40.1
109.08822	4.3
109.10179	18.8
111.04466	34.1
111.08099	11.8
113.06005	51.0
115.05473	5.2
117.07034	17.9
119.08575	36.6
121.06527	12.0
121.10159	20.8
123.08109	9.3
125.09641	14.4
129.07013	9.9
129.84512	4.1
131.08598	26.0
133.10110	14.3
135.08058	26.8
135.11682	16.4
137.09636	9.0
143.08562	12.7
145.10109	23.2
147.04469	8.6
147.08046	14.1
149.09546	6.8
153.12755	7.7
157.10115	6.1
159.11765	8.3
161.09647	9.0
163.11179	17.4
170.92624	4.8
171.11565	8.4
172.94269	4.8
173.09789	5.9
173.13306	5.4
175.11325	4.6
179.48276	4.2
181.12227	17.9
190.95377	5.3
191.10709	14.2
199.14690	5.0
217.15878	7.5
227.12758	8.5
237.00771	5.3
249.14838	7.1
254.94734	9.0
255.17430	8.3
273.18488	36.1
291.19598	100.0
309.07544	5.8
309.20804	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.49501	5.4
52.40226	5.6
55.01876	19.4
55.05515	74.1
56.96568	15.3
57.03440	65.3
57.07079	11.7
67.05508	75.6
69.07060	28.3
69.87061	22.0
71.05002	8.0
71.08601	6.4
79.05496	72.8
81.03426	12.5
81.07060	74.2
83.04996	13.4
83.08610	43.0
85.06544	10.6
91.05486	65.4
92.02022	5.3
93.03388	5.1
93.07050	62.0
95.04987	31.7
95.08617	31.1
97.06533	38.0
97.10176	60.4
98.97601	11.1
99.08109	17.5
101.02368	6.3
101.83034	6.0
105.07039	55.9
107.04958	53.1
107.08597	50.5
109.06530	49.4
109.10165	24.5
111.04493	7.2
111.08092	8.9
113.06026	14.7
117.07046	18.2
119.04956	17.9
119.08583	53.3
121.06503	12.6
121.10163	25.4
123.08067	34.4
123.11680	5.8
125.09648	52.4
129.07018	10.9
130.93272	8.0
131.08582	33.7
133.06442	6.2
133.10161	18.0
135.08076	25.1
135.11670	8.5
137.06070	6.0
137.09641	9.4
143.08562	14.2
145.10136	28.6
147.04422	44.2
147.08072	20.4
149.09657	7.1
153.09180	8.5
157.10144	11.4
159.11642	14.3
161.09673	12.7
163.03877	8.6
163.11211	8.7
165.09158	7.5
169.10150	5.9
171.10199	15.2
171.11676	12.6
172.94467	5.6
173.11841	7.5
173.13281	14.0
175.11189	17.8
179.14293	5.5
183.11775	7.6
189.11258	41.1
190.95459	11.1
191.08516	8.4
191.14375	7.3
192.08913	17.3
199.14789	9.6
201.12755	6.6
212.93581	7.6
215.07266	7.2
217.15843	17.1
219.13751	38.8
220.08482	20.7
235.17027	5.6
237.00565	6.3
239.02254	13.2
249.09070	13.2
250.09497	58.7
254.94701	12.7
255.17438	10.1
257.03189	12.8
272.95789	6.7
273.18472	88.5
280.95007	5.8
291.16013	22.1
291.19580	100.0
309.10620	6.9
309.13577	7.0
309.16974	38.1
309.20428	12.1
309.24155	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	1.7
53.83099	1.3
55.01869	4.5
55.05517	33.2
57.03424	2.9
59.55173	1.5
62.67752	1.4
67.05509	19.6
69.03423	4.2
69.07074	9.8
69.16283	1.5
69.92796	5.8
72.49690	1.4
79.05495	19.6
81.03418	2.9
81.07060	25.9
83.04986	5.9
83.08630	16.8
85.06586	2.1
91.05487	12.0
93.07053	13.4
95.04958	6.8
95.08613	14.0
97.06530	3.6
97.10172	26.5
98.20821	2.5
104.17290	1.4
105.07035	10.0
107.04975	4.0
107.08611	15.2
109.06500	1.8
109.10155	7.7
111.04447	3.0
111.08093	2.6
117.07049	5.1
119.08588	9.4
121.06499	2.7
121.10154	4.8
123.04426	2.2
123.08106	7.3
125.09638	15.6
131.08578	5.3
133.06529	2.6
133.10130	4.5
135.08061	3.6
135.11719	2.5
137.05980	2.4
137.09630	4.8
143.08530	2.7
145.10091	3.7
147.08087	3.5
147.11674	4.2
157.92384	1.7
159.11658	1.9
161.09550	1.9
165.09120	5.6
171.06805	1.6
171.11719	1.9
175.85309	1.4
189.11299	12.0
189.12784	3.0
190.95528	2.6
193.12296	1.7
195.17119	1.6
211.15007	1.7
223.13313	3.2
254.94737	1.7
255.17538	2.0
267.43134	1.4
273.18512	11.3
291.19553	100.0
292.19766	2.3
301.01837	1.8
309.20596	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.01561	2.5
53.03941	8.5
55.01882	14.2
55.05519	36.7
56.96573	30.2
57.03441	21.7
58.78364	2.0
65.03954	4.3
67.05511	53.9
69.03428	6.6
69.07079	25.9
70.35173	5.4
71.04991	9.2
79.05509	64.0
81.03437	18.5
81.07070	100.0
83.04996	16.6
83.08631	19.1
85.02879	3.9
85.06554	6.7
91.05491	28.0
93.07056	54.0
95.04977	27.0
95.08604	28.5
97.06552	47.9
97.10184	24.6
99.08088	8.3
103.05488	2.5
105.07046	27.9
107.04958	11.3
107.08601	31.6
109.06542	37.5
109.10158	14.0
111.04430	9.0
111.08130	10.7
113.06085	4.2
116.35337	2.3
117.07041	12.0
119.08601	22.8
121.06506	8.5
121.10143	18.9
123.08083	24.9
123.11700	4.3
125.09650	25.1
129.07025	8.1
131.08597	14.2
133.06522	5.2
133.10170	17.0
135.08116	12.0
135.11696	9.1
137.09625	10.0
139.11206	4.0
140.03069	4.6
143.08574	5.9
145.10115	10.3
147.08080	7.5
147.11694	11.1
149.09610	7.5
151.11183	6.0
153.09113	3.9
155.08511	2.4
157.10130	6.6
159.08029	3.2
159.11691	3.4
161.09642	6.2
163.11192	13.5
165.09142	7.9
167.08495	2.8
167.31500	2.4
169.01823	2.0
170.99698	6.4
171.10205	2.1
171.11707	3.2
173.09763	2.9
173.13329	3.1
175.11295	3.2
175.14830	2.9
177.12648	3.7
181.12263	3.4
183.08116	2.3
189.00711	5.1
189.09041	3.1
189.11212	14.7
189.12698	2.6
191.10657	2.3
193.12245	7.6
199.14790	2.5
200.05998	2.4
209.06433	5.7
211.13316	2.5
217.15858	8.0
219.13844	4.5
222.07330	18.0
222.57388	2.5
223.13396	2.5
227.12822	3.3
231.07808	16.7
242.58646	3.8
245.19012	3.1
254.94431	2.5
255.17355	3.4
263.06314	2.3
273.18512	25.9
291.19580	58.9
309.07675	4.6
309.11255	3.2
309.14819	4.3
309.20575	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	4.4
55.01876	6.8
55.05261	1.3
55.05516	20.7
56.96574	7.5
57.03443	34.3
57.07080	6.0
59.05006	2.2
65.03954	2.3
66.46881	0.9
67.05513	28.1
69.03428	4.2
69.07076	60.7
69.94009	4.6
70.06601	1.2
71.04992	8.2
71.06966	0.8
71.08638	1.2
73.02928	1.8
73.06541	1.0
79.05503	23.9
81.03415	7.2
81.07067	52.1
83.04990	4.9
83.08631	12.8
83.65232	1.0
84.95994	1.1
85.02914	2.7
85.06550	14.0
90.81844	1.0
91.05492	19.9
93.07060	31.0
95.04984	11.7
95.08615	35.8
97.02901	1.0
97.06550	13.8
97.10172	6.5
98.97588	2.9
99.08105	100.0
105.07047	20.0
107.04977	8.7
107.08605	18.2
109.02892	1.9
109.06529	9.0
109.10172	16.5
111.04482	1.1
111.08106	5.9
111.11729	14.6
113.06019	4.5
115.05438	1.6
116.98573	1.6
117.07051	7.7
119.04951	2.9
119.08592	13.7
121.02847	1.3
121.06526	7.1
121.10152	13.3
123.04416	1.7
123.08095	8.1
123.11748	9.4
125.09643	4.2
127.06621	1.7
127.07567	31.7
127.08466	2.0
128.06245	1.4
129.07010	3.8
129.12766	1.2
131.08556	11.9
133.06569	2.2
133.10165	9.0
135.08054	6.4
135.11705	9.9
137.09607	3.4
137.13281	3.5
139.11186	9.5
141.07077	1.6
143.08569	3.8
145.02902	1.0
145.06541	1.5
145.10168	7.2
147.04431	10.4
147.08063	4.1
147.11722	4.9
149.09641	5.4
149.13271	6.3
151.11206	3.0
153.12711	4.8
155.08554	1.8
157.06584	1.4
157.10135	4.4
159.11690	4.9
161.09641	3.6
161.13257	2.6
162.73434	1.2
163.11186	2.4
163.14798	2.3
165.06999	1.2
165.09163	2.0
167.08571	1.2
167.10698	0.9
167.14307	1.9
169.10101	1.1
171.04456	1.2
171.11700	2.4
173.09666	1.6
173.13263	3.8
175.11255	2.8
177.05528	1.5
177.12747	1.4
177.16302	0.9
178.07750	2.0
179.08548	1.9
179.10728	2.3
181.06593	1.1
181.10228	1.0
183.11653	1.5
185.13268	2.6
187.11223	1.2
189.11215	3.8
189.12814	2.0
189.16304	1.2
191.03575	1.1
191.14203	1.1
193.08620	1.6
199.06419	1.3
199.14874	3.1
201.12801	2.9
205.12328	1.8
207.08073	2.5
207.13858	1.9
213.12790	1.1
215.06955	1.5
216.88927	1.0
217.15907	5.4
218.07167	1.1
219.08057	3.4
219.13754	5.0
221.15448	3.4
223.13387	1.2
224.08322	1.1
227.17651	1.8
229.07541	7.2
234.06909	1.3
235.07549	3.2
235.16911	3.9
237.09125	1.8
241.04979	1.2
245.19118	1.3
247.08281	3.8
249.09232	1.4
253.08644	2.0
255.17458	3.5
263.07004	4.7
263.20132	2.2
265.08527	5.5
273.18552	21.3
277.08630	2.2
281.11847	2.3
281.15186	1.3
286.10684	1.4
291.06656	1.8
291.19577	42.4
291.22888	2.1
291.26773	3.3
309.07532	2.4
309.11148	4.6
309.14777	13.5
309.20612	13.5
309.27829	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	309.2214
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03942	4.4
54.55252	2.8
55.01867	6.4
55.05509	17.7
57.03423	7.2
63.34536	2.2
65.03934	4.1
67.05513	32.8
67.82403	2.2
69.07071	14.3
71.04977	2.7
79.05499	33.9
81.03423	5.6
81.07060	42.3
83.04980	4.8
83.08631	6.4
84.79492	2.2
91.04958	4.4
91.05486	49.1
93.07057	70.2
95.04980	56.7
95.08611	39.2
97.06540	21.4
103.05443	2.8
105.07043	90.2
107.08607	40.2
109.06506	12.1
109.10164	24.8
115.05449	3.7
116.06281	2.8
117.07026	17.7
119.08591	73.8
121.06517	8.4
121.10159	100.0
121.11028	5.8
123.08087	10.1
123.11690	7.2
128.06229	12.2
129.07001	13.6
130.07797	6.8
131.08566	34.8
133.06519	4.8
133.07640	3.8
133.10147	48.7
135.08038	4.8
135.11667	13.8
141.06964	8.4
142.07826	18.2
143.08583	34.9
144.09340	8.5
145.06448	4.0
145.09045	3.5
145.10143	52.4
147.08060	3.5
147.11703	15.2
149.09610	3.8
154.07767	4.6
155.08589	11.7
156.09348	13.9
157.10158	39.0
158.10942	5.0
159.08076	5.3
159.11693	41.4
161.09605	9.2
161.13280	7.3
165.07051	2.9
167.08521	5.2
168.09286	3.7
169.10159	22.4
170.10890	5.2
171.11702	27.2
173.09683	4.6
173.13324	19.7
175.14789	10.3
179.08607	4.4
180.09358	2.9
181.10107	8.8
182.10909	4.4
183.11763	14.8
185.09627	2.6
185.13260	17.0
187.11269	11.0
187.14792	16.1
189.12758	3.6
192.09325	3.0
193.10110	5.7
194.10901	3.7
195.11699	14.0
197.13332	11.2
199.11150	3.6
199.14795	13.2
201.12675	2.9
201.16423	3.1
207.11678	6.0
209.13324	13.8
211.11275	2.8
211.14853	6.4
213.16461	3.0
215.14449	4.1
221.13292	5.3
223.14813	5.1
224.15636	2.7
225.12874	2.9
225.16441	9.9
229.15750	2.7
235.14812	8.6
239.14304	4.3
239.17981	7.4
249.16451	2.6
253.15855	7.4
265.19623	4.5
267.17432	2.8
276.04581	2.5
281.22580	10.5
291.21106	7.9
301.11795	2.4
309.18494	4.7
309.22125	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.05521	16.9
57.03436	7.1
57.04776	1.7
57.07079	4.7
58.26525	2.0
63.49585	2.0
65.03944	5.0
67.05517	25.0
69.07076	13.4
70.79275	5.9
76.67776	2.2
79.05499	27.9
81.03393	3.4
81.07072	34.4
83.04987	4.1
83.08627	6.8
84.28069	2.1
91.05496	36.9
93.07053	56.8
95.04977	45.7
95.08615	33.0
95.36393	2.1
97.06534	15.3
103.05476	5.0
105.04523	3.1
105.07047	75.4
107.04961	3.4
107.08604	32.3
109.06537	7.7
109.10162	20.7
115.05463	4.6
117.07025	12.6
119.08596	58.2
121.06529	8.6
121.10157	100.0
123.08094	8.8
123.11734	8.0
128.06248	7.1
129.06998	12.1
130.07803	5.9
131.08582	26.5
133.07645	4.7
133.10139	41.0
135.08093	5.1
135.11729	9.6
141.07019	6.0
142.07802	13.4
143.08589	27.1
144.09361	6.4
145.09042	4.0
145.10146	44.4
147.08095	3.9
147.11678	13.0
149.09644	4.9
155.08591	11.7
156.09373	9.4
157.10143	33.4
158.10901	4.6
159.08089	3.0
159.11708	27.8
161.09676	6.0
161.13344	8.6
163.11209	2.5
166.07735	2.5
167.08591	4.0
169.10127	18.5
170.10886	4.3
171.11728	15.5
173.09621	3.0
173.13269	16.0
175.11241	3.0
175.14819	7.6
179.08571	2.6
181.10141	4.1
182.10956	4.0
183.11737	13.3
185.13306	8.1
187.11235	6.1
187.14842	16.1
189.12869	3.0
193.10170	5.6
195.11754	5.5
197.13335	8.1
199.14864	10.2
199.25661	2.5
205.10359	2.6
207.11784	5.9
209.13278	8.4
211.11252	2.5
211.14885	7.6
213.16283	3.4
221.13112	2.6
225.16423	2.6
235.14885	5.3
237.16563	2.6
239.14403	3.3
239.17982	4.5
249.16333	2.5
253.15921	7.0
253.19574	2.6
262.85052	2.2
265.19595	4.2
269.74496	2.5
281.22751	5.7
291.21054	9.4
309.22156	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2531
Annotation	Holaromine
Peak:m/z	Relative Intensity
53.03938	1.4
55.05516	4.1
56.05024	0.8
56.96548	0.6
57.07077	0.9
62.73162	0.5
67.05513	7.6
69.07069	5.1
70.06316	0.5
70.06608	5.3
71.34299	0.8
79.05501	11.0
80.05010	2.3
81.03422	0.7
81.07060	7.9
82.06588	0.7
83.04980	1.3
83.07368	0.8
83.08621	1.8
85.06557	0.6
91.05495	8.7
93.07061	8.6
94.06596	1.2
95.04979	3.3
95.08618	5.2
96.08136	3.7
97.06525	1.1
97.10186	1.0
98.09692	0.9
105.07047	7.9
107.04993	0.6
107.07403	0.6
107.08621	7.0
108.08131	1.7
109.06512	0.8
109.08910	0.8
109.10155	2.7
111.04472	0.6
116.44568	0.5
117.07024	3.4
118.06555	0.8
118.34531	0.5
119.08590	7.9
120.08112	2.1
121.10162	2.9
122.09674	7.2
123.08035	0.7
124.11275	0.5
125.09626	1.0
128.06273	0.9
129.07030	6.8
130.07826	0.8
131.08583	7.3
133.10184	3.2
134.09685	1.0
135.11737	0.6
136.11218	1.7
137.09648	0.9
137.11995	1.9
138.12830	1.1
141.07011	1.0
142.07845	1.1
143.08614	4.6
144.09323	1.1
145.10132	5.8
146.09662	2.6
147.11687	1.8
148.11224	1.0
149.13310	1.0
150.12791	1.0
153.05484	0.7
155.08620	0.8
157.08917	0.9
157.10124	5.1
158.09683	0.8
159.11676	1.1
160.11220	1.6
161.13321	2.0
162.12823	1.3
169.10136	0.7
170.09677	0.9
171.11736	1.4
172.11197	1.0
173.11932	1.1
173.13277	7.0
174.12799	5.8
175.14899	0.9
183.11716	1.0
185.11925	1.1
185.13382	1.2
186.12807	7.0
187.13579	1.1
188.14328	1.2
189.11209	0.7
193.12268	0.9
197.13301	0.8
198.12770	1.8
199.14912	0.8
200.14372	1.4
204.13820	1.0
206.13011	0.6
209.11714	3.4
212.14308	4.2
214.15973	0.7
217.55971	0.6
224.14366	1.4
226.15950	3.5
228.17406	2.7
237.11247	2.9
238.15941	1.6
240.17500	5.0
241.18196	1.4
252.17471	2.0
254.19164	3.0
254.21538	0.6
255.12375	0.7
264.11356	1.2
266.19031	1.5
275.20172	0.9
280.20685	2.6
281.21460	1.1
292.22739	7.4
293.21109	1.1
308.23853	0.8
310.25336	100.0
311.25623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
53.03738	0.5
53.03952	5.4
55.01862	0.8
55.05508	0.6
56.96564	1.4
58.98918	0.3
66.63447	0.3
67.05506	0.5
69.03425	1.2
69.07066	0.5
69.53709	2.6
70.06584	1.1
72.08137	0.4
73.02913	0.5
77.03936	1.1
79.05495	1.6
79.21484	0.4
81.03416	1.1
81.07073	0.6
83.01342	0.5
84.08141	2.6
85.02910	0.7
86.09712	1.0
87.04470	0.7
91.05470	1.1
91.20548	0.3
93.07052	1.1
95.04981	6.3
97.02899	0.9
98.20802	0.7
98.97581	1.2
99.04483	0.7
100.07620	0.5
101.36750	0.3
105.03402	100.0
105.04550	4.0
105.07032	1.0
106.03747	0.6
107.04991	0.9
109.06530	0.5
113.02356	0.6
115.03889	0.7
116.98617	0.8
120.08130	0.9
121.02877	1.4
123.04449	1.9
133.06497	0.7
136.07570	0.7
137.05992	5.2
141.51323	0.3
147.09279	0.3
149.05994	0.6
151.03935	0.8
153.83365	0.4
158.99721	0.6
161.06067	0.8
163.03981	0.5
167.07092	0.7
177.05513	0.8
187.07568	1.1
190.07802	1.2
191.08597	1.6
191.12901	0.4
195.07983	0.6
198.66418	0.4
205.06569	0.6
207.08070	0.9
218.07304	0.6
219.08058	2.2
223.07617	0.4
235.07657	0.9
236.08388	0.9
237.02855	0.6
240.07829	0.5
247.07602	1.2
251.07140	0.5
251.08324	0.5
251.10666	3.6
252.07840	0.5
253.08458	0.4
263.07074	0.5
264.07758	0.5
265.08780	0.4
267.10022	0.9
279.10217	2.9
280.10831	0.4
281.08145	0.7
283.06079	1.0
283.09711	0.5
293.08063	0.9
296.10510	0.8
311.05399	3.2
311.09097	1.7
311.12860	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.00259	0.4
53.03704	0.5
53.03951	6.5
55.01879	0.5
56.96558	1.0
70.06593	2.0
71.05404	0.5
71.06914	0.4
77.03917	1.7
79.05495	1.1
81.03417	0.7
81.07076	0.6
83.01358	0.6
84.08107	1.2
84.96051	0.5
85.02912	0.6
86.09703	0.7
87.04463	0.5
91.05505	0.6
93.07066	0.4
95.04982	7.0
98.97592	1.4
102.61089	0.4
105.03400	100.0
105.04546	3.6
107.04934	0.8
111.00845	0.6
113.02371	0.6
115.03932	0.5
116.98564	0.6
120.08109	0.5
121.02869	0.4
123.04435	1.6
128.98645	0.4
133.93794	0.4
137.05968	3.1
143.03339	0.6
148.88684	0.4
167.07077	0.4
187.07596	1.2
190.07840	0.5
191.07048	0.4
191.08586	1.8
202.39886	0.4
207.08209	0.5
219.08093	1.8
235.07491	0.4
236.08250	0.5
251.10744	1.7
267.10306	1.1
279.06741	0.6
279.10242	2.4
304.86880	0.5
311.08990	1.3
311.12924	1.7
311.18149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02379	1.0
51.73574	0.3
53.03953	6.5
55.01870	1.0
56.96566	0.3
57.03416	0.3
59.05002	0.4
60.36547	0.3
69.03429	0.9
69.87324	1.1
69.87719	0.6
70.06601	0.8
71.04979	0.3
77.03933	1.5
79.05494	0.9
81.03410	1.1
83.01347	0.7
83.31087	0.3
84.08174	0.5
85.02910	0.7
87.04491	1.1
91.05495	0.5
93.07071	0.3
95.04980	6.4
95.05563	0.5
97.02911	0.6
98.20847	0.5
98.97607	0.8
99.04497	0.4
105.03404	100.0
105.04548	3.5
106.03728	0.5
111.00814	0.5
113.02333	0.4
115.03954	0.7
116.42652	0.3
119.38049	0.3
120.08121	0.4
122.06041	0.5
123.04441	1.4
129.01862	0.4
129.10159	0.4
137.05981	0.5
143.03435	0.6
147.04391	0.3
167.07109	0.5
168.06644	0.5
177.06573	0.5
207.08113	0.5
217.08707	0.4
267.10254	0.6
270.06293	0.3
293.08231	0.3
311.12204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.4
51.02393	0.9
53.03957	6.1
55.01874	0.8
56.96557	0.9
57.03448	0.3
58.12850	0.3
69.03444	0.7
69.87517	1.5
70.06593	0.8
71.05030	0.4
72.46606	0.3
73.02927	0.5
77.03941	1.3
78.54175	0.3
79.05502	1.0
81.03423	1.3
83.01345	0.9
84.08141	0.6
85.02904	1.1
86.09731	0.3
87.04463	0.9
91.05498	1.1
93.07053	0.3
95.04987	6.6
97.02911	0.6
98.97588	1.3
99.04453	0.3
105.03403	100.0
105.04551	2.7
106.03725	0.9
107.04996	0.6
110.06059	0.4
111.00813	0.7
113.02365	0.5
115.03950	0.8
119.04979	0.5
120.08104	0.8
121.06536	0.4
122.06106	0.4
123.04465	1.3
128.98608	0.5
137.05997	0.8
147.04431	1.8
148.04846	0.6
149.05020	0.6
151.03992	0.5
163.03952	0.6
168.06584	0.3
177.06630	0.6
182.62830	0.3
205.06570	0.6
207.08087	0.5
217.08621	0.7
235.07510	0.4
251.10541	0.4
252.07941	0.4
267.10022	0.8
293.08203	0.4
311.16177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03936	1.4
55.01855	3.2
55.05500	2.0
56.96561	2.4
57.03413	0.9
67.05480	1.9
69.03427	4.6
70.06573	1.6
71.55073	1.3
72.08138	3.1
73.02879	1.0
79.05480	3.8
79.17381	1.0
81.03403	3.8
81.07040	3.4
84.08144	2.2
85.02901	8.2
87.00831	4.8
91.05482	5.6
92.72080	1.0
93.07030	3.1
94.04189	5.2
95.04963	4.7
95.08584	2.0
97.02920	4.7
97.06552	1.5
98.97588	4.9
99.04440	1.6
103.05448	2.4
105.01873	6.1
105.03377	1.8
105.07032	7.4
107.04957	5.1
107.08539	1.1
109.02876	2.6
109.06524	6.3
115.05461	2.9
116.06243	1.2
116.98594	2.7
117.03386	1.6
119.08551	1.8
119.61408	1.3
120.08078	1.3
121.02851	1.5
121.06519	2.5
121.10140	2.0
122.03645	9.9
123.04411	1.5
127.03989	4.9
128.06219	1.9
129.06973	4.5
131.04935	2.7
131.08534	1.3
133.02806	2.6
133.06493	6.4
133.10130	1.3
135.04402	0.9
137.05983	100.0
144.05710	4.1
145.04895	1.4
145.06502	2.7
146.03661	1.4
147.04402	1.4
147.11630	1.6
149.06021	6.8
151.03836	2.2
151.07526	2.1
155.04912	6.2
155.05998	1.6
159.08037	7.4
161.05984	13.4
162.05530	5.3
163.07498	1.0
165.05653	1.4
165.07005	4.4
167.06987	1.4
172.05222	2.0
174.06703	1.6
175.07510	3.6
177.00607	1.2
177.05496	1.1
179.08542	2.7
187.07567	28.6
189.07019	6.8
189.08989	1.6
190.05067	1.3
190.07767	23.6
191.08560	51.7
191.14217	1.4
192.07198	1.2
192.09006	1.4
195.08084	1.6
201.06999	1.6
202.07761	2.3
203.08632	2.1
205.06476	4.7
207.08040	9.6
208.06007	2.4
208.08835	6.7
214.08546	7.0
217.06677	1.1
218.07283	15.2
219.08069	66.9
220.08762	6.4
221.05901	4.4
221.09509	1.0
222.06703	1.9
223.07350	1.6
223.09222	1.6
225.09103	1.4
229.07533	1.6
231.08183	1.3
233.09685	1.8
235.07547	12.9
236.08342	16.5
237.09114	4.1
239.07155	1.0
240.07822	1.4
246.06775	2.1
247.07535	28.6
248.08194	3.6
249.05275	1.0
249.09137	1.6
250.09822	1.3
251.10683	88.9
252.07835	2.8
252.10805	1.4
253.08583	7.6
261.09082	4.0
263.06989	2.3
264.07819	9.4
265.08606	4.5
267.10233	8.7
268.10849	2.4
279.10178	67.5
280.10794	5.8
281.08133	10.8
283.06027	1.9
283.09702	2.0
283.13150	1.5
293.05225	1.2
293.08081	3.3
293.11215	1.7
296.10428	12.4
311.05554	4.3
311.09384	4.2
311.12726	77.4
311.17871	7.3
312.12827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08013	0.8
53.03946	1.3
55.01873	1.2
56.96571	1.0
65.03935	0.9
67.05502	1.9
69.03422	2.1
79.05499	4.6
81.07061	3.1
91.05486	5.8
93.07056	4.3
93.52502	0.8
93.79424	0.9
94.04181	4.8
95.04985	2.0
97.06519	0.9
103.05453	2.7
105.07034	6.8
105.85513	1.0
107.04954	3.5
107.08603	2.0
109.06532	5.3
109.10208	0.9
115.05459	2.6
116.06226	2.1
121.02857	3.7
121.06528	1.8
121.10139	2.9
122.03654	10.4
128.06303	2.1
129.07001	5.1
131.04941	2.6
133.06511	5.2
137.05983	100.0
144.05722	3.4
149.05965	6.3
151.03912	2.3
155.04936	7.8
155.06006	1.7
155.48737	1.0
159.08043	7.1
161.06007	13.2
165.07033	4.0
166.07715	1.0
167.07146	1.5
167.08583	1.2
171.04376	1.3
172.05177	2.3
174.06770	2.5
175.07535	3.1
178.07756	1.8
179.08566	2.8
180.09302	1.3
181.06505	1.1
187.07565	27.5
189.05447	1.6
189.06978	9.1
190.07773	24.8
191.08562	51.0
193.06616	1.2
195.08112	1.6
201.06915	2.0
202.07788	2.7
203.08583	2.1
205.06497	6.7
206.07182	1.1
207.08067	14.5
208.08838	7.1
213.06517	0.9
214.08528	1.0
217.06567	1.1
218.07304	17.2
218.09279	1.7
219.08057	66.3
220.08865	5.2
221.05984	4.3
222.06732	1.1
223.07576	1.8
224.08202	1.0
225.09076	1.6
229.07607	1.3
231.08141	1.3
233.05963	1.8
233.09599	2.1
234.06844	2.2
235.07536	12.1
236.08305	17.3
237.09099	3.0
239.10876	1.1
240.07913	1.1
246.06746	2.9
247.07558	28.4
247.44170	0.9
248.08234	3.6
249.05518	1.3
249.09177	1.9
250.06274	1.4
251.10684	90.0
252.07816	3.7
252.10838	1.1
253.08574	9.4
259.08374	0.9
261.09244	4.0
263.07037	2.3
264.07800	10.8
265.08627	5.3
265.11337	0.9
267.10211	13.0
268.07263	1.0
268.10806	2.5
278.09360	2.0
279.10172	74.2
280.10870	5.9
281.08069	12.6
283.06149	1.6
283.09790	2.4
283.13281	2.1
293.08170	3.7
295.09738	2.3
296.10455	12.5
309.11343	1.3
311.05380	2.9
311.09689	3.3
311.12787	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03948	0.8
55.01867	1.7
55.05507	1.5
63.74260	0.8
65.03942	0.9
67.05517	1.9
69.03438	1.2
69.07043	0.9
70.70837	1.3
70.71162	2.0
79.05492	3.3
80.51620	0.9
81.07047	3.2
91.05474	5.0
93.07055	2.5
94.04195	5.5
95.04962	1.6
98.97601	1.2
99.33923	1.0
103.05462	2.6
105.07040	6.3
107.04953	2.6
107.08574	1.4
109.06535	4.8
109.82213	0.8
115.05463	3.0
116.06258	0.9
117.07023	1.1
121.02868	3.0
121.06497	3.0
121.10137	2.1
122.03649	10.5
127.05457	1.0
128.06238	3.3
129.06993	6.3
130.79668	1.0
131.04950	3.0
131.08585	1.5
132.05753	0.9
133.06520	4.9
137.05994	100.0
144.05762	4.3
145.06516	2.1
149.06000	5.4
151.03940	1.1
155.04918	8.8
155.06036	1.7
159.04372	1.0
159.08061	9.0
161.06020	13.5
165.07008	3.6
169.06471	1.2
172.05215	3.3
173.06056	1.3
174.06851	1.2
175.07573	3.8
178.07837	2.1
179.08580	4.1
187.07574	25.3
189.05548	1.6
189.07045	8.8
190.07793	25.9
191.08578	52.5
194.07280	1.6
195.08054	1.4
197.09641	1.0
201.07036	1.9
202.07785	3.0
203.08517	1.8
205.06528	7.2
207.08099	11.5
208.08919	7.4
209.09683	0.9
211.07530	1.3
218.07294	16.8
219.08084	65.9
220.08807	5.9
221.06113	5.5
221.09657	1.1
223.11166	1.7
224.08327	1.8
225.09109	1.6
229.07596	1.7
231.08092	1.4
233.06021	1.9
233.09621	1.8
234.06746	2.2
235.07535	12.6
236.08368	15.9
237.09102	3.5
246.06709	1.7
247.07574	28.3
248.08321	4.0
249.09177	2.4
251.10707	84.0
252.07845	3.9
252.11171	1.4
253.08549	9.1
261.09119	3.4
263.07025	3.3
264.07919	10.8
265.08664	5.1
267.10156	12.7
268.10959	2.4
278.05673	1.4
279.10199	68.2
280.10938	6.6
281.08130	12.1
283.09637	2.1
283.13525	1.2
293.08099	4.8
293.11401	1.5
295.09781	1.7
296.10489	13.0
309.11218	1.0
311.09497	4.5
311.12802	80.9
312.13150	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	311.128
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01857	1.9
56.96569	1.8
57.03425	2.0
67.05494	2.4
69.03423	1.6
69.07069	1.4
71.06953	2.1
79.05509	4.9
81.03413	1.2
81.07062	3.0
91.05489	6.7
93.07023	2.8
94.04189	4.0
95.04966	1.6
95.08621	1.1
97.06551	7.3
100.09824	0.8
103.05477	2.3
105.07037	8.3
107.04948	2.4
107.08641	1.5
109.06554	4.3
109.10146	1.3
115.05460	2.3
116.06209	0.9
119.08595	1.2
121.06537	2.1
121.10159	2.3
122.02998	0.8
122.03681	10.7
123.04424	1.0
128.06210	2.6
129.07030	5.6
131.04951	1.9
131.08586	2.0
133.06520	4.3
137.05992	87.0
141.06990	3.4
144.05716	3.6
144.84320	0.8
145.06487	1.3
147.08020	1.5
149.05974	4.7
151.03960	0.9
151.07564	1.1
153.07060	1.7
155.04930	6.5
155.06067	1.5
155.08626	0.9
155.76212	0.8
156.05717	1.2
157.06439	1.8
159.04443	1.0
159.08064	6.6
161.05998	13.6
165.06989	6.1
166.07793	1.2
167.08640	1.5
169.06500	2.8
171.04489	0.9
172.05162	1.5
175.07547	3.5
178.07857	0.8
179.08624	2.1
180.09300	2.2
181.06496	2.9
182.07231	1.2
183.08183	1.0
185.05968	1.0
185.09586	1.3
186.06888	1.2
187.07561	27.3
189.07042	6.6
189.09052	1.4
190.07790	23.2
191.08566	47.6
192.08992	1.1
193.06630	1.3
193.10133	1.7
194.07248	1.2
195.08081	2.8
196.08888	0.9
197.05969	3.1
197.09648	2.0
199.07484	1.0
201.07126	1.1
201.09052	1.4
202.07874	2.5
203.08527	1.8
205.06531	2.9
207.08040	6.1
208.08870	6.7
209.09651	2.6
210.06685	1.3
211.07507	2.7
211.11105	1.5
213.09152	1.9
215.07043	2.3
217.06422	1.6
218.07294	14.2
219.08066	61.5
220.08836	6.0
221.06021	3.0
221.09677	1.5
223.07520	1.1
223.11255	1.5
224.08340	1.1
225.09070	5.1
229.07594	1.4
233.09622	2.1
235.07587	8.0
236.08333	12.6
237.09111	2.5
238.10004	1.2
239.07098	1.6
239.10623	4.8
241.08687	1.4
246.06816	2.0
247.07567	23.5
248.08336	2.3
249.09174	1.8
250.09822	1.6
251.10704	80.2
252.10997	1.2
253.08640	6.5
254.09399	1.7
255.10188	1.9
261.09286	2.1
263.07022	2.2
264.07822	9.1
265.08569	2.8
265.12247	1.4
267.10233	5.2
267.13791	1.9
268.07135	0.9
268.10959	1.6
269.08167	1.0
278.09363	1.4
279.10190	61.2
280.10910	6.8
281.08096	8.4
283.13342	3.5
288.09396	1.1
293.11615	1.6
296.10449	11.1
311.05576	8.4
311.12805	100.0
312.13095	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
54.11952	5.4
55.01873	9.9
55.05505	25.3
57.71227	6.8
63.84169	6.9
67.05512	68.4
69.03411	9.2
69.07068	35.4
70.43710	20.5
79.05517	39.6
81.07065	82.2
83.04975	7.9
83.08606	12.4
86.79324	5.8
91.05499	45.4
93.07051	52.6
95.04987	9.9
95.08609	46.8
97.06538	58.0
97.10192	13.5
98.21400	7.6
105.07056	41.3
105.10331	6.4
107.04977	7.1
107.08581	34.9
109.06510	8.3
109.10159	25.3
114.38579	6.1
117.07027	16.7
119.08589	35.8
121.06523	6.6
121.10163	24.2
123.08069	12.3
123.11694	9.5
125.09637	20.2
131.08583	17.0
133.10109	38.8
135.08063	8.5
135.11633	9.3
137.09657	7.6
141.06990	12.0
145.10144	21.5
147.08987	6.7
147.11685	22.3
149.09584	14.1
151.11174	12.0
159.11726	9.9
163.11227	9.0
169.06573	9.3
173.13287	11.0
187.07527	10.4
215.07076	26.0
215.10555	8.2
219.60428	5.9
257.18997	9.7
269.08044	7.2
275.20123	100.0
293.21167	26.8
311.05350	12.2
311.12802	74.6
311.16296	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03935	2.6
54.82882	1.7
55.01889	8.8
55.05513	22.0
56.96573	2.1
57.03438	4.7
57.07071	2.9
59.05000	2.2
67.05510	50.9
69.03428	4.8
69.07066	17.3
71.04987	6.1
71.08638	45.9
71.36662	3.2
78.44175	1.6
79.05500	21.1
81.03412	5.3
81.07061	21.7
83.04987	15.8
83.08627	8.0
85.02906	2.4
85.06535	3.4
91.05475	19.9
93.07055	22.0
95.04977	10.2
95.08617	25.7
97.06532	23.9
97.10165	4.7
99.08105	27.9
100.11257	4.3
105.07045	8.7
107.04951	2.2
107.08601	7.9
109.06547	4.6
109.10161	31.9
111.04417	2.3
111.08099	2.4
115.05450	3.6
117.07014	8.2
119.08575	11.6
121.10160	5.1
123.08095	3.0
125.05986	1.8
125.09610	3.3
127.11196	2.2
128.06244	3.9
129.07018	6.6
131.08603	14.7
133.10141	10.8
135.11761	3.0
137.09639	9.3
139.11188	38.9
139.36192	1.7
141.06995	33.1
141.09023	1.4
143.08548	3.7
144.05684	2.2
145.06509	2.5
145.10146	4.5
147.11655	2.4
149.09586	1.8
149.13300	3.8
151.11194	28.2
155.10675	13.0
157.06505	5.6
157.10120	2.3
158.07317	2.6
159.08066	3.5
159.11705	6.1
161.06026	2.2
161.09641	6.8
162.40714	1.6
163.11139	2.2
165.12828	3.6
169.06485	12.6
169.10176	1.8
170.07135	1.5
173.06061	3.2
173.11755	13.5
173.13152	2.9
177.12732	11.1
179.10646	4.1
183.11771	1.9
185.04442	1.7
185.06023	4.7
185.09705	1.8
186.06769	17.0
187.07518	10.2
191.14186	2.3
195.13870	4.9
197.06012	4.8
209.09535	2.2
214.06282	26.0
214.09822	1.8
215.06998	61.9
215.10716	5.5
223.13371	1.7
224.68451	2.0
225.09251	2.1
247.20761	3.5
257.19046	4.8
267.10211	2.0
275.20084	19.5
293.21121	71.9
296.74619	1.6
307.54230	1.8
311.05414	3.0
311.12833	100.0
311.16214	5.5
311.22244	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01849	6.2
55.05509	30.2
57.03440	7.6
59.04983	6.6
67.05508	79.9
69.03418	11.1
69.07072	20.8
69.24828	33.4
71.05004	16.6
71.08633	60.0
78.05602	4.2
79.05488	24.2
81.03406	6.0
81.07062	28.9
83.04990	26.6
83.08606	10.0
85.02911	11.8
85.06517	4.1
91.05475	22.6
93.07035	33.8
95.04967	16.2
95.08612	61.0
97.06536	10.9
97.10186	8.5
99.04484	4.1
99.08097	38.7
105.07008	5.7
105.29095	3.2
107.04895	3.2
107.08569	11.9
109.06524	5.2
109.10160	58.9
111.08061	5.3
113.06005	3.6
117.07039	3.8
119.08598	17.0
121.10136	8.4
123.08066	6.4
125.09636	3.6
127.11179	3.4
131.08594	8.1
133.10176	17.6
135.08052	3.7
135.11665	3.7
137.09608	22.4
139.11180	66.4
149.09631	4.6
151.11205	31.7
155.10683	41.6
159.11685	10.4
161.09625	11.3
163.11183	3.6
165.12648	4.1
173.11798	21.8
173.13101	5.6
177.12785	14.9
179.10612	7.5
179.29486	2.9
191.14310	6.8
195.13797	7.5
215.07025	5.9
257.18954	9.7
272.46353	3.8
275.20038	32.8
293.21115	100.0
295.51239	4.2
311.12811	5.9
311.22183	22.3
318.22974	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	311.222
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01869	13.6
55.05518	26.9
56.16266	3.6
56.96557	4.5
57.03431	5.3
57.07073	11.5
61.02968	3.5
61.54625	3.3
67.05513	33.8
69.07076	41.8
69.42751	25.1
70.06628	3.2
71.04997	8.6
79.05499	26.5
79.62931	3.6
81.03424	5.7
81.07054	29.4
82.26731	3.5
83.04988	19.0
83.08616	12.2
85.02893	5.3
91.05490	24.2
93.07053	40.9
95.04979	70.2
95.08619	26.7
95.20021	3.3
97.05991	3.4
97.06547	15.8
97.10154	7.3
99.04456	4.2
99.08107	3.7
105.07040	17.6
107.04983	9.1
107.08626	20.8
109.06536	9.8
109.10181	12.2
111.04446	35.3
111.08069	5.5
116.44673	4.0
117.07018	10.5
119.08577	14.5
121.06526	8.3
121.10148	15.5
123.08080	3.6
125.09656	4.5
131.08569	14.0
133.10129	13.2
135.08076	14.9
135.11700	9.5
139.11186	7.4
141.06999	4.8
145.10124	9.9
147.11687	4.3
149.02347	10.8
149.09625	9.2
157.10222	3.5
159.11742	7.8
163.11125	6.3
167.14278	5.7
177.12775	11.9
183.11591	4.4
193.04994	15.2
195.13808	7.2
196.62503	5.7
201.12753	5.8
203.12801	5.5
219.13857	4.5
224.65610	5.6
237.14883	73.1
247.20583	5.6
275.20090	49.6
293.21127	100.0
311.05490	10.3
311.12680	8.4
311.24954	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	311.2217
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.81673	2.3
53.03943	4.0
53.06776	2.4
54.20735	3.1
55.01868	5.9
55.05515	22.6
57.03433	12.9
57.07076	33.3
67.05509	34.7
69.03422	6.0
69.07074	29.9
69.71521	14.2
69.71806	3.1
70.06597	3.0
71.04985	11.8
74.75199	2.7
75.08821	2.6
79.05494	29.6
81.03419	6.4
81.07059	39.7
83.05003	14.2
83.08612	11.3
85.06542	5.2
91.05494	17.5
93.07055	33.4
93.80803	2.8
95.04954	8.6
95.08620	25.5
97.06546	14.3
97.10184	15.0
99.08110	5.4
102.09238	2.6
105.07039	13.6
107.04945	3.6
107.08615	27.7
109.02872	5.3
109.06520	9.6
109.10178	13.6
111.04463	21.6
111.08083	11.3
117.07037	2.9
119.08614	15.8
120.07938	2.7
121.06492	2.7
121.10158	22.2
123.11721	3.0
125.05981	9.0
125.09634	11.9
129.07014	3.9
131.08562	9.9
133.10178	12.0
135.04375	2.8
135.11674	4.1
137.09676	5.1
139.11162	13.7
141.06984	4.7
143.08498	2.8
145.10135	10.8
147.11665	4.7
149.02341	5.0
149.09615	9.7
149.13255	2.8
152.13928	2.7
153.05486	19.0
155.08537	3.2
157.10103	5.3
159.11650	5.0
161.13258	4.5
163.11186	5.7
167.10719	3.5
171.11676	3.1
173.13243	4.2
175.11311	2.7
177.12776	2.8
179.14229	2.7
181.05028	3.2
181.12218	8.8
187.14760	3.6
187.61969	2.9
189.11229	6.0
191.10689	10.3
193.04970	7.4
201.16391	3.5
203.12743	10.9
203.14386	3.5
209.11732	100.0
219.17480	3.7
221.15392	5.3
223.17000	4.1
237.11237	75.7
255.12263	18.3
257.19022	5.0
275.20071	33.4
293.17786	3.7
293.21072	10.6
311.12988	12.7
311.25369	23.2
311.74707	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.05513	8.4
57.03445	2.3
57.07082	4.8
67.05507	9.1
67.14449	1.0
69.07065	5.0
70.93698	2.2
71.08635	12.0
79.05502	7.1
81.07064	9.0
83.04969	2.1
83.08646	5.0
83.09054	0.9
84.02782	0.9
85.06561	1.2
91.05490	3.1
93.07040	5.0
93.29768	0.9
95.04964	2.4
95.08595	5.7
97.06533	2.1
97.10160	5.1
99.08096	6.2
105.07043	3.3
107.04970	3.5
107.08601	5.2
108.05750	1.4
109.02890	1.8
109.06521	2.4
109.10155	2.5
111.04446	2.7
112.16008	1.1
117.07029	1.8
119.08556	2.2
121.06493	2.7
121.10166	1.9
125.09644	2.8
131.08559	2.5
133.10172	1.7
135.08026	1.1
135.11690	1.9
145.10146	1.4
149.77104	1.0
151.11121	1.1
153.05498	2.7
165.12769	3.2
177.12761	1.5
189.11185	1.8
191.10619	1.6
209.11716	10.4
237.11230	9.0
255.12152	2.2
275.20108	5.3
293.01672	1.0
293.21112	100.0
311.20111	1.6
311.25769	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03956	7.9
53.66404	5.2
55.01879	60.8
55.05520	63.5
57.03450	18.0
57.06821	8.3
57.07084	100.0
63.55959	5.5
67.05514	84.7
69.03436	7.1
69.07070	51.0
71.04999	6.1
71.08608	11.1
71.55248	9.5
72.04522	11.6
79.05495	51.1
81.03417	9.7
81.07060	79.2
83.04977	17.7
83.08626	29.4
91.05474	36.1
91.63932	5.8
93.07060	48.1
95.04979	18.1
95.08624	65.2
97.06522	18.0
97.10166	16.8
99.08121	12.0
100.07657	9.2
105.07054	21.6
107.04952	17.2
107.08598	27.1
109.02893	8.2
109.06551	10.1
109.10172	26.1
111.04439	19.8
111.08098	7.1
116.05322	14.7
117.07047	7.6
119.08607	27.4
121.10153	25.8
121.94268	6.3
123.08070	13.6
123.11713	6.9
125.06026	8.3
125.09628	68.0
131.08575	13.8
133.10118	9.3
135.08035	9.8
135.11676	15.3
137.09631	24.5
141.09146	7.1
149.09633	6.7
149.13272	7.1
151.11185	21.0
153.05492	14.9
159.11818	11.6
163.11234	14.9
169.10059	9.6
171.11674	6.4
172.11650	9.5
177.12778	27.5
181.12265	14.9
187.11238	7.3
191.14427	6.5
195.13850	15.9
209.11726	74.9
210.57967	6.1
237.11217	74.8
247.20515	13.2
255.12274	16.6
257.18854	9.7
275.19995	38.4
293.18317	6.4
293.21075	36.7
311.07333	16.8
311.12634	11.5
311.13968	6.1
311.17642	61.6
311.25836	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.222
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.77246	2.6
53.03943	6.4
55.01881	55.1
55.05516	40.8
57.03420	7.1
57.07081	19.7
67.05176	4.1
67.05514	64.2
67.43405	3.8
69.03428	5.6
69.07082	30.0
70.15195	6.4
70.15586	7.7
71.05019	4.9
71.08632	8.3
78.67994	2.8
79.05509	33.5
81.03424	12.2
81.07066	56.0
83.04989	14.1
83.08621	18.3
85.06550	6.4
91.05489	34.0
93.07053	38.7
95.04977	16.2
95.08618	49.9
97.06525	9.7
97.10179	12.3
99.08112	8.5
101.56683	3.1
104.62788	2.7
105.07067	14.8
107.04973	21.4
107.08618	17.3
109.06516	5.1
109.10165	25.5
111.04452	14.8
111.08083	7.4
117.07022	11.4
119.08558	18.7
121.06521	9.3
121.10152	15.2
123.08090	9.8
123.11732	3.5
125.06010	5.2
125.09650	52.3
131.08588	15.3
133.10132	12.9
135.04437	100.0
135.08084	11.1
135.11705	8.6
137.09641	29.3
139.11224	4.9
141.09160	3.6
142.93835	3.3
143.08597	4.3
145.10144	13.0
146.07347	3.9
147.08012	4.0
147.11734	3.8
149.09694	5.6
149.13269	6.4
151.11191	21.4
153.05473	3.3
159.11743	7.9
161.09644	44.6
161.13264	4.5
163.11209	10.2
165.12694	3.8
167.10684	5.0
169.10187	3.6
173.13264	6.2
177.12746	18.8
181.12294	9.0
187.11137	4.2
191.10728	6.7
191.14349	10.7
195.13921	7.4
201.12816	3.4
209.11673	29.7
209.13274	2.7
229.19511	6.7
229.27496	3.2
237.11259	27.4
247.20636	13.5
257.19049	13.7
275.20105	37.5
277.16473	3.2
293.21118	38.3
311.07382	6.3
311.12781	4.5
311.16351	5.5
311.25922	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	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
55.01885	3.3
55.05271	3.9
55.05517	63.5
57.03424	14.1
57.07081	19.1
67.05511	40.8
69.07076	95.6
69.88448	14.7
71.08620	12.0
79.05498	29.1
79.18756	3.4
81.03399	3.9
81.07067	51.8
83.04994	5.0
83.08623	40.5
85.10197	3.5
91.05487	43.5
93.06477	5.4
93.07047	100.0
95.04975	47.5
95.08611	77.9
97.06537	34.6
97.10175	28.1
103.05414	4.9
105.06388	5.6
105.07043	74.3
107.08600	52.2
109.06509	14.0
109.10165	40.3
111.11700	11.1
115.05525	4.6
117.07018	18.8
119.08592	64.1
121.06535	17.2
121.10150	56.8
123.08049	15.5
123.11728	17.7
128.06248	5.0
129.06960	4.6
130.07788	4.2
130.25189	3.8
131.08562	26.1
132.19278	3.1
133.06450	4.0
133.09207	5.0
133.10133	38.2
135.08058	11.4
135.11707	18.4
137.09630	5.7
137.13257	4.8
142.07813	7.7
143.08571	14.7
145.10149	35.5
147.11691	23.3
148.70810	3.2
149.09634	5.8
149.13271	7.9
155.08514	6.3
156.09315	4.2
157.10129	27.7
159.08043	4.6
159.11720	44.3
161.09602	10.6
161.13290	11.1
163.11176	6.4
163.14801	4.4
169.10153	10.6
171.11702	17.3
173.13242	14.5
175.14824	12.3
177.16388	24.1
183.11719	4.8
185.13278	10.4
187.11253	9.1
187.14848	9.2
189.16298	15.4
195.11630	5.3
197.13286	10.4
199.14789	8.0
201.16412	10.9
203.17941	3.9
209.11584	4.9
209.13300	8.5
211.14766	5.3
213.16298	6.1
215.17987	6.4
219.17543	4.5
223.14799	8.6
227.17986	4.8
237.16328	4.5
255.21051	7.6
293.22607	7.3
311.23029	15.5
311.26389	60.0
317.98846	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	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01864	2.8
55.05515	59.1
57.03443	25.1
57.07080	28.0
67.05511	9.7
69.07073	73.3
71.07413	0.8
71.08636	17.7
77.77801	0.9
79.05489	5.0
81.07065	11.3
83.04948	1.8
83.08626	56.1
83.88770	0.8
85.06550	1.0
85.10186	7.4
91.05478	1.2
93.07045	7.5
95.08590	7.9
97.06567	6.9
97.10182	40.1
98.21524	1.8
107.08599	6.8
109.10155	3.0
111.08076	4.4
111.11738	12.1
121.10145	6.6
121.34143	0.9
123.11703	2.1
125.09617	1.3
125.13258	2.6
129.05461	0.9
132.70143	0.8
135.11734	5.1
137.13293	2.0
139.11156	1.7
139.14861	1.2
149.13248	3.8
153.12733	1.0
153.35718	0.9
163.14760	1.1
209.11731	2.5
211.75696	0.9
219.21097	1.7
237.11276	2.8
237.22212	1.4
255.12032	0.8
260.64529	0.9
274.80426	0.8
311.25818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	AS 183
Peak:m/z	Relative Intensity
52.09833	2.8
55.05272	4.8
55.05515	71.4
57.03442	27.8
57.07081	31.8
57.74590	3.1
62.09074	2.9
67.05511	14.3
69.06725	5.3
69.07073	84.0
70.10301	2.4
71.08632	23.4
71.56006	4.2
75.37762	3.0
79.05506	3.3
81.07069	19.0
83.08627	67.2
83.73398	2.8
85.10176	9.7
91.05458	2.9
91.36325	3.0
91.63982	2.9
93.07029	11.6
95.08599	12.0
97.06530	11.1
97.10181	52.6
105.88431	2.6
107.08588	8.0
109.10175	7.9
109.49940	2.9
111.08067	5.0
111.11743	11.4
121.10153	6.2
123.11713	6.7
135.11674	7.9
149.13338	5.2
191.45798	2.7
208.98575	2.6
209.11737	4.8
219.21213	3.9
244.72777	3.0
270.26566	2.8
276.27707	3.7
311.07541	3.8
311.20227	3.9
311.25836	100.0
311.31342	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03932	1.7
55.01877	2.7
55.05516	66.3
57.03444	25.3
57.07079	26.7
67.05505	9.2
69.07073	62.7
69.58101	4.9
71.08636	18.2
76.52361	0.9
79.05495	6.0
81.07060	11.2
83.05006	1.4
83.08627	52.3
85.06546	1.1
85.10189	8.4
90.04459	0.8
90.47473	0.8
91.05484	1.2
93.07055	7.9
95.08607	7.0
97.06548	4.4
97.10178	39.3
98.20795	0.9
104.81007	0.8
107.08590	5.5
109.10149	3.4
111.08076	2.6
111.11731	11.3
121.10147	7.1
123.11662	1.3
125.09645	1.8
125.13270	1.6
135.11687	5.7
137.13280	1.3
139.11163	1.4
139.14755	0.8
149.13301	4.0
153.12801	1.0
163.14851	1.8
209.11566	1.0
219.21078	1.4
237.22208	1.3
311.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.1
55.05495	1.3
56.96553	2.7
57.03420	1.4
57.07066	1.9
64.84621	1.0
65.03935	3.0
67.05490	1.1
67.77530	0.8
69.03440	1.6
69.86250	3.8
70.06593	8.0
72.08155	1.8
80.14668	0.9
81.03408	1.3
81.07042	1.9
83.04971	1.2
84.04484	3.9
84.08133	3.7
85.02913	1.9
91.05486	1.6
95.04963	4.0
95.08643	1.2
97.02872	1.4
98.97577	3.1
105.03391	3.7
105.07023	1.5
107.08588	1.0
109.02897	1.1
110.06083	1.7
110.97558	1.3
111.04440	2.9
116.98649	0.9
121.02875	100.0
121.03885	3.1
122.06039	1.7
124.07565	1.0
139.03885	2.7
143.00194	1.0
145.93402	0.9
147.04385	1.2
151.03891	3.3
151.04991	0.9
168.06511	1.2
177.00719	1.2
184.05853	0.9
211.50237	0.8
212.04689	2.1
226.41492	0.9
240.04140	3.3
251.07077	1.1
255.06552	2.0
267.03882	1.4
269.08282	1.2
283.06009	1.8
288.92041	1.1
295.13187	1.1
295.16684	1.0
297.07523	2.4
298.04825	6.2
298.07693	1.0
313.07022	22.8
313.10678	12.1
313.27347	1.8
320.83447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40257	3.6
53.03942	10.0
55.01875	14.2
55.05518	38.7
56.96561	16.4
57.03450	27.4
59.39187	3.5
65.03954	10.4
67.05518	39.2
67.94556	3.6
68.99794	6.9
69.03438	75.0
69.07079	25.5
70.06583	3.6
71.05009	23.1
71.55212	5.1
73.02905	3.6
74.31326	3.2
79.05496	24.4
81.03423	74.0
81.07069	38.8
82.04216	25.6
83.04988	47.6
83.08651	18.8
85.02907	37.8
87.00845	8.2
87.43325	4.0
91.05488	34.4
93.07058	45.9
95.04976	13.8
95.08615	45.5
97.02904	29.6
97.06532	24.0
99.04479	3.8
99.08084	9.2
103.05439	4.7
105.07015	18.7
107.04964	7.3
107.08599	16.6
109.02887	8.7
109.06541	10.1
109.10175	8.0
110.39576	3.6
111.04479	22.7
111.08092	100.0
113.09650	13.2
115.03928	4.5
117.07027	16.5
119.04982	5.3
119.08594	9.8
120.08118	11.2
121.06493	11.4
123.04425	4.7
123.08069	15.4
124.72745	3.7
124.99134	7.4
127.07563	10.8
129.06995	5.3
131.04991	5.6
131.08571	5.2
135.08043	26.5
137.06021	20.9
137.09608	10.1
139.06512	6.4
139.07553	94.3
141.09102	60.1
143.00125	7.4
145.10136	11.7
147.08102	8.0
151.03931	60.5
151.05081	6.7
151.07556	51.1
157.10057	3.6
161.01234	6.1
161.09674	8.2
162.06970	3.9
162.97386	4.0
163.11195	6.5
165.09183	6.0
167.10649	5.9
170.94699	3.4
179.10648	5.2
181.06477	4.0
181.12151	4.9
189.09137	8.3
191.06970	4.8
191.10712	16.6
197.56619	3.5
206.57224	4.8
209.11757	81.4
213.09155	5.4
241.12273	5.6
249.02878	6.1
253.11287	5.1
257.12201	3.7
264.16409	3.7
267.03900	9.2
267.10254	15.0
274.12286	3.8
281.10751	7.1
285.11209	4.4
295.08658	6.3
295.11829	79.9
297.07605	4.7
298.04712	13.0
313.07318	55.1
313.10721	15.8
313.13699	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	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.05502	20.5
55.22774	5.9
56.96569	12.8
57.07073	17.5
57.25140	5.1
67.05490	30.0
69.07072	16.2
69.28025	49.9
71.04982	5.8
71.08628	17.7
79.05479	16.5
81.07058	26.6
83.04976	6.6
91.05483	12.6
93.07047	24.3
95.04988	6.9
95.08614	24.0
97.06544	24.4
99.08089	6.3
104.10735	5.9
105.07082	7.2
107.08656	12.3
109.10161	14.6
119.08617	7.8
121.10174	14.5
123.08101	12.2
127.21686	5.5
133.10095	7.0
136.93144	10.2
137.09621	9.3
139.40167	6.1
151.11188	13.2
172.95317	12.4
179.14345	18.7
180.95813	8.2
195.03163	6.2
198.96870	11.7
199.07645	7.2
240.04295	7.3
241.12355	9.2
255.06593	9.1
269.08041	6.2
277.21658	39.3
283.06143	9.0
285.64786	10.7
295.22739	100.0
298.04681	17.7
313.07071	85.2
313.10699	36.4
313.14359	13.3
313.17966	7.0
313.21658	10.2
313.32535	6.5
331.26416	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	313.2377
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.03944	4.4
55.01878	17.5
55.05522	39.1
56.96573	7.1
57.03439	13.0
57.07085	21.8
67.05515	57.5
69.03423	6.7
69.07076	46.4
69.11348	3.6
71.04995	13.6
71.08652	23.1
71.54924	4.8
77.54539	3.8
79.05505	33.6
81.03411	7.4
81.07065	50.0
82.22392	3.8
83.04985	13.0
83.08645	21.6
85.06551	11.1
85.10197	15.0
91.05487	26.2
93.07063	52.7
95.04975	23.2
95.08614	53.6
97.06534	35.7
97.10183	15.7
99.08073	7.6
105.07030	33.0
107.08610	31.2
109.06532	7.3
109.10174	34.0
111.04440	4.5
111.08066	5.9
111.11701	4.6
113.09662	17.5
114.17645	3.7
116.98652	5.1
117.07016	12.2
119.08593	33.1
121.06527	15.6
121.10144	34.1
123.08102	10.1
123.11749	8.4
125.09638	14.1
128.06197	8.5
129.07011	8.5
131.08589	24.6
133.10149	25.1
135.08138	6.0
135.11707	9.7
137.09702	4.7
139.11212	17.8
141.07018	4.0
141.12788	8.6
142.07790	10.9
143.08583	16.7
144.09373	5.5
145.10138	39.7
147.11707	17.5
149.09625	9.3
151.11240	5.0
153.12817	6.2
155.08531	6.5
156.09396	6.8
157.10156	22.7
159.11769	10.7
161.09575	5.4
161.13304	8.4
163.11230	5.4
165.12823	6.7
167.08601	5.2
167.10724	6.3
168.09279	3.9
169.10181	8.6
171.11676	20.0
173.09636	12.5
173.13261	9.4
175.11192	5.0
175.14909	5.4
179.08533	7.0
179.14229	4.4
181.10283	4.4
183.11746	7.0
183.13939	4.2
184.05206	6.1
185.13243	12.7
189.09171	4.6
193.35045	4.5
194.10941	7.6
195.11740	7.8
197.13243	9.8
199.07549	7.7
199.14894	9.1
209.13332	19.0
211.14774	4.4
212.04680	8.7
213.16455	6.0
217.08659	4.1
227.07018	5.6
227.14346	12.1
231.17584	7.2
240.04230	14.9
241.12286	16.7
249.22095	4.4
253.19537	5.7
255.06607	5.9
255.17531	7.5
259.20401	5.2
268.03622	7.7
269.18979	4.4
271.20404	4.9
277.21713	38.8
283.05991	5.5
295.20120	8.9
295.23190	30.3
297.07672	8.7
298.04813	30.6
313.07098	100.0
313.10754	33.7
313.14392	17.9
313.18021	6.7
313.21600	53.2
313.27469	19.8
314.14172	5.4
335.44638	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.2
57.03444	21.8
57.07080	63.8
57.67844	0.8
67.05506	12.6
69.07069	11.4
71.04385	1.4
71.08639	41.3
79.05509	1.6
80.54708	0.8
81.07066	17.3
83.05013	1.2
83.08154	0.8
83.08630	12.7
85.06489	0.8
85.09718	1.4
85.10192	19.0
89.06034	5.0
93.07055	1.0
95.08614	23.3
97.10178	6.4
99.11732	1.9
99.35777	0.7
103.07588	2.6
109.10157	10.5
111.11705	1.1
115.19524	0.8
115.54640	0.8
121.10106	1.0
123.11721	5.6
125.13354	1.3
137.13248	2.8
145.99760	0.8
180.03951	0.7
239.23663	5.2
257.24814	8.2
313.07181	1.2
313.27390	100.0
314.27814	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	314.092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.1
57.03446	0.4
61.01159	1.1
63.22417	0.2
68.23376	0.2
69.03440	2.1
69.59662	1.5
70.06599	3.4
72.08170	0.9
84.04507	0.7
84.08154	0.4
85.02900	1.4
86.99062	0.4
89.06046	0.3
92.02586	0.3
94.04080	0.2
97.02901	42.9
98.21471	0.6
98.97603	2.0
108.08130	0.5
110.07202	0.3
110.97596	0.2
115.03962	0.3
116.07115	1.0
116.98623	1.1
119.01738	0.4
119.03561	1.0
134.99622	0.6
135.05409	0.6
136.06198	100.0
137.04648	0.4
137.06610	0.3
143.01657	2.0
146.99649	0.3
148.06212	0.8
152.10721	0.3
158.01353	0.3
161.02724	1.1
162.07803	0.6
164.05676	5.7
171.11342	0.8
174.04547	0.3
178.07262	3.1
179.03778	1.9
186.00829	0.3
186.28619	0.3
190.07315	0.4
196.12915	0.3
199.10832	0.7
220.08440	0.4
233.07414	0.3
242.07036	0.3
248.07800	0.8
250.09235	0.6
278.06973	0.6
296.08115	3.3
314.09216	7.2
314.12756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0855
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
70.59554	0.3
76.53867	0.1
83.68584	0.1
105.60436	0.1
124.01579	0.3
148.05199	1.0
149.05971	0.2
151.03938	0.3
152.01031	0.4
153.01802	0.9
167.03406	0.4
167.06866	0.1
170.02179	0.2
185.30847	0.1
212.42650	0.1
213.05441	0.1
216.80678	0.1
229.04976	14.3
230.05406	0.2
243.06563	0.4
244.79173	0.1
253.04968	0.3
257.04471	12.8
269.04425	0.4
271.06116	0.3
272.06808	21.9
273.07300	0.3
283.06049	0.5
284.03128	0.3
285.04004	1.5
299.05524	2.8
300.06299	61.2
301.06711	0.5
315.08633	100.0
316.08932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
52.26107	0.3
53.91116	0.2
56.96548	0.8
62.81096	0.2
67.05508	0.4
69.07024	0.4
79.05479	0.5
95.04949	0.3
97.06503	1.1
98.97581	0.7
136.01622	0.3
153.01837	1.1
153.05511	0.3
161.05983	0.4
184.08908	0.4
194.07310	0.4
197.06021	0.4
197.09647	0.5
199.11136	0.5
208.08875	0.5
216.06715	0.3
223.07704	0.3
223.11162	0.9
226.06192	0.3
237.05461	0.4
238.09941	0.6
241.09091	0.3
242.05754	3.4
251.10693	0.6
253.05022	0.7
253.12318	2.1
254.05843	1.6
255.06549	0.4
255.07274	0.4
255.10176	5.3
257.04568	0.6
269.04529	0.7
269.08038	0.3
270.05222	1.3
271.06033	15.3
272.06821	0.3
283.09720	0.8
285.03882	2.3
286.04761	5.2
286.07721	0.5
297.03915	2.1
299.05527	60.8
300.06293	11.2
306.30145	0.3
315.08643	100.0
316.09058	1.0
317.07458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.80085	0.1
54.09226	0.1
56.55377	0.1
60.45171	0.1
66.52671	0.1
70.99247	0.3
78.33672	0.1
114.68341	0.1
124.01489	0.2
133.02805	0.2
142.21686	0.1
148.05159	0.9
149.05995	0.2
151.03894	0.4
152.01018	0.3
153.01851	0.9
167.03381	0.5
170.02023	0.1
213.05577	0.2
229.04962	13.3
242.05911	0.2
243.06558	0.5
244.07591	0.2
253.04880	0.2
257.04459	13.3
258.04785	0.2
269.04446	0.2
271.06183	0.2
272.06802	24.5
273.07181	0.3
276.68115	0.2
283.06088	0.5
284.03183	0.4
285.03970	1.8
299.05545	3.5
300.06293	60.1
301.06616	0.3
315.08624	100.0
316.08972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25192	0.2
55.38675	0.2
56.96560	0.3
57.03442	0.2
65.03943	0.4
68.99786	0.2
70.06594	0.2
70.33426	0.6
79.05493	0.5
84.08159	0.2
85.25604	0.2
86.09689	0.2
88.04011	0.2
89.03900	0.2
91.05488	0.7
92.04996	0.5
93.05775	0.2
93.07051	0.6
94.06584	0.7
95.04971	0.2
95.07351	0.7
96.08131	1.3
98.97594	0.3
103.05443	0.2
106.06568	0.5
107.04966	0.6
107.93499	0.2
108.08128	2.6
109.08926	0.2
110.09688	2.3
116.04973	0.3
118.06564	0.2
120.04475	3.6
120.08125	2.1
121.02827	0.2
124.01575	0.3
126.09177	0.3
133.02837	0.3
134.06010	1.0
135.04445	0.2
136.07596	4.6
138.05516	0.6
138.09167	2.0
144.04477	0.3
148.05196	1.2
148.07620	1.4
151.03908	0.6
152.01031	0.4
152.07094	0.2
153.01868	0.9
153.05450	0.3
154.08646	6.1
162.05522	24.9
165.05557	0.2
166.08669	6.1
167.03444	0.6
167.05446	0.3
170.02168	0.2
184.09967	0.3
195.02870	0.2
198.11536	0.3
199.12280	0.2
212.09435	0.3
213.05351	0.2
227.11884	0.9
229.04985	14.5
243.06502	0.3
253.04961	0.2
254.05849	0.3
255.11234	0.7
257.04477	14.0
258.04803	0.3
259.10919	0.2
269.04501	0.3
269.12936	1.0
271.04565	0.3
272.06818	23.8
273.07452	0.3
273.12378	0.6
283.06052	0.7
283.09546	0.3
284.03101	0.4
285.03973	1.8
287.13837	0.5
297.07440	0.2
297.12390	2.6
299.05533	3.3
300.06311	62.7
301.06604	0.9
315.08646	100.0
316.09033	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10774	0.7
56.96575	4.6
57.07066	0.8
69.03436	0.7
69.07061	1.2
70.06609	5.2
71.02138	0.6
71.54549	1.3
72.08165	2.1
74.06076	0.7
79.05521	1.3
81.03422	1.0
83.06098	1.2
84.04554	1.6
84.08152	4.5
84.96059	0.8
85.02930	1.3
86.09717	2.4
89.03922	3.0
95.08623	1.1
98.97585	6.6
105.03443	1.3
110.97594	1.7
116.07140	1.2
116.98663	3.4
117.03403	2.6
119.04983	0.7
129.10283	1.0
134.53772	0.7
134.99623	1.2
135.04428	4.7
143.00130	1.4
145.02885	3.5
146.56807	0.7
146.99652	0.7
147.04315	0.8
151.03938	1.4
153.05460	2.4
154.98483	0.8
157.61485	0.8
158.99626	0.9
162.06293	1.1
163.03929	17.8
163.05257	1.4
182.08424	1.3
194.07253	0.8
194.08954	0.8
195.07983	0.7
203.05298	4.6
207.08096	1.2
210.08041	1.0
219.01770	1.6
237.02823	2.6
252.10304	1.1
255.10178	1.1
271.10886	3.1
272.06750	1.5
275.08032	1.0
283.09735	1.6
293.09207	4.8
294.09521	0.9
300.06345	3.7
315.08875	8.4
315.14188	100.0
316.14380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11986	0.5
53.03950	0.6
55.01875	0.9
55.05512	0.8
56.05023	2.2
56.50631	0.6
56.96572	9.7
57.03438	0.7
60.06799	0.5
67.05532	0.6
68.05032	2.3
68.61645	0.5
69.03439	1.3
70.06599	26.9
70.14414	1.1
70.14806	1.1
70.97024	0.6
71.05009	4.3
72.08167	5.9
72.79818	0.5
81.03382	0.7
81.07074	0.6
82.06581	1.3
84.04512	17.7
84.08157	2.8
85.02916	5.2
87.06848	1.2
88.07638	3.7
91.28654	0.5
94.06580	1.3
96.04498	1.5
97.02896	1.8
98.03219	1.1
98.06059	2.1
98.09722	1.3
98.97589	3.4
99.04472	9.9
105.60599	0.5
108.08126	6.8
109.31411	0.5
110.06049	1.8
110.09783	0.8
112.07646	0.6
116.07111	15.1
116.07921	0.8
116.98618	2.1
119.48933	0.5
121.99160	0.7
124.00741	1.8
126.09167	55.7
127.03892	0.9
127.09557	0.6
129.10312	1.0
130.05038	4.0
134.99728	0.6
136.06201	2.2
136.07585	3.1
136.57472	0.5
137.06601	0.8
138.09171	1.4
140.00197	4.7
140.10709	0.6
141.02254	0.5
142.01791	7.2
143.01974	0.6
147.63763	0.5
153.05525	0.9
154.08644	100.0
155.09012	0.6
156.02972	0.6
157.01602	0.6
158.01233	4.6
159.03403	0.7
160.02823	4.3
165.05797	0.6
172.09726	1.6
176.02350	0.7
177.04298	0.7
182.08141	30.9
184.09694	9.4
185.01242	0.6
186.00783	1.8
200.09196	42.4
204.01845	3.4
207.08034	0.7
209.09657	0.9
218.10321	1.1
222.02768	0.6
226.07484	0.8
227.10757	1.1
228.08684	24.2
243.74532	0.6
251.13776	0.5
269.14975	4.5
271.09686	3.4
271.16443	1.1
289.10800	2.2
297.07748	2.4
300.06369	1.5
315.08249	8.3
315.10721	3.9
315.15582	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	315.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01873	0.9
55.05505	0.9
56.28602	0.3
56.95460	0.3
56.96578	2.0
56.96800	0.3
57.03440	1.3
61.02937	0.4
67.05511	1.6
69.03439	2.5
69.07069	1.0
70.06591	0.7
71.01381	0.5
71.05007	0.8
73.02924	0.5
76.85769	0.3
79.05507	1.8
79.54708	0.3
81.03436	2.2
81.07074	3.8
83.04991	0.7
83.08604	0.4
85.02429	0.4
85.02915	4.8
86.09693	0.4
87.04433	0.3
88.01680	0.3
91.05480	2.2
93.06549	0.5
93.07067	5.4
95.04990	1.5
95.08633	1.7
97.02914	1.9
97.06535	0.9
98.97603	2.3
99.04469	0.7
103.05527	0.4
105.07047	2.8
107.04947	0.9
107.08611	5.8
109.02891	0.9
109.06549	1.6
109.10161	1.3
110.97563	1.1
111.04453	0.4
111.08117	0.4
115.05438	0.4
116.98648	0.8
117.07041	0.8
119.08612	2.5
120.08125	0.5
121.06546	0.9
121.10143	1.0
123.04452	1.2
123.08089	0.6
125.06021	0.4
127.03960	0.7
127.07690	0.3
128.98639	0.8
129.07004	0.4
131.08580	0.6
133.02852	0.5
133.04984	0.4
133.10121	1.2
135.08067	0.4
135.11737	3.5
137.02367	0.3
137.05969	0.8
137.09561	0.4
141.05452	0.5
142.07750	0.5
143.00165	0.4
143.08611	0.6
145.04977	0.5
145.06487	0.5
145.10104	1.4
147.08034	0.7
147.11703	1.4
148.05194	1.1
149.05937	0.4
149.09589	0.5
151.03940	1.7
151.07530	0.9
151.11154	0.7
153.01851	1.0
153.05478	0.5
153.12794	1.9
154.08788	0.3
155.08583	0.5
157.10146	0.8
159.11674	0.8
161.01254	0.4
161.05974	0.8
161.09625	0.5
161.13158	0.3
162.05521	1.1
163.11229	0.6
165.01855	1.4
165.06950	0.4
165.12785	2.0
167.03419	0.5
169.06442	0.3
169.07709	0.5
171.11731	0.7
173.09641	0.7
173.13171	0.4
175.11276	0.5
177.12776	0.8
183.02948	0.8
183.11752	0.7
187.11125	0.3
189.12781	0.5
193.12279	0.5
195.08060	0.6
201.12807	0.5
213.10300	0.5
219.01796	0.6
219.13745	0.4
223.07587	0.4
229.05002	13.5
231.13809	0.5
234.07271	0.8
237.02864	0.5
237.12862	0.5
240.08945	0.9
241.09901	0.4
243.07780	1.3
243.13951	0.6
244.07417	0.3
252.11465	0.6
253.05118	0.5
255.06593	0.4
255.11137	0.7
257.04498	12.8
259.10410	1.0
261.14911	1.5
265.08591	0.5
265.12314	0.5
267.06625	0.4
267.13782	0.7
269.08102	0.3
272.06824	23.3
279.15958	0.9
283.06076	0.9
283.09720	1.2
284.03207	0.5
284.13464	0.5
285.04050	1.7
287.13843	0.6
297.12128	0.8
297.17007	0.9
299.05560	2.8
300.06326	59.0
301.06665	1.6
315.08664	100.0
315.12231	3.6
315.18210	2.0
316.09116	2.1
323.04877	0.4
332.85791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.05523	9.9
56.05038	1.3
56.96577	3.5
57.07069	2.0
58.17350	0.6
59.05017	1.2
62.97931	0.7
67.05511	17.3
69.03431	0.7
69.07085	3.3
69.62592	4.4
70.06607	2.3
71.04984	1.9
79.05497	6.0
81.07066	100.0
82.07393	0.9
83.08633	2.6
84.04513	46.4
85.02927	0.7
93.07053	1.4
95.08628	4.9
97.06550	3.9
97.10169	4.8
98.97630	0.8
102.05548	18.8
107.08595	1.4
109.10152	1.6
123.11721	78.5
124.12030	0.7
130.05019	28.4
141.12753	9.3
148.06065	30.4
163.03955	1.5
167.03604	1.5
169.12274	2.8
173.02429	1.3
176.04146	1.0
187.13324	8.6
213.00713	0.7
215.07097	1.2
230.05334	1.7
231.01878	1.0
245.05768	0.8
245.55769	0.8
249.02943	2.0
255.26389	0.6
258.04962	2.4
259.09750	2.8
267.04044	1.1
270.17056	4.6
273.07266	3.3
298.16586	3.5
300.06244	1.2
301.03354	1.3
301.06631	10.9
316.09003	18.8
316.12253	1.3
316.17252	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	316.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87989	1.1
55.01879	2.9
55.05508	3.1
56.96560	4.3
60.04526	12.5
64.90553	1.3
69.03411	2.6
69.07056	3.6
69.84937	2.8
69.85350	4.1
70.02943	1.4
70.06596	57.7
72.08156	17.0
76.99294	1.2
81.03423	1.5
84.04499	3.5
84.08123	5.6
85.02911	3.2
86.09712	65.0
87.04476	1.8
87.05604	10.3
87.10061	1.5
91.05419	1.9
97.02906	2.7
98.97569	5.5
100.11254	1.8
101.61565	1.1
105.03379	2.4
107.04967	2.2
116.07101	100.0
116.98550	1.5
119.04941	1.8
119.07320	3.0
127.03840	1.6
128.10710	5.4
128.98581	1.6
136.07536	1.2
144.10217	1.7
147.04314	1.9
151.03903	2.1
151.07535	2.2
153.47701	1.3
158.99559	1.5
163.03918	3.6
171.14925	5.0
173.12874	51.8
175.11929	1.4
179.07014	3.0
185.00024	1.3
188.07188	1.2
196.67349	1.3
199.14473	1.8
199.18053	2.5
201.12314	10.9
219.01910	1.6
237.02745	3.2
253.08716	2.0
267.69449	1.4
270.11353	1.9
287.10110	1.5
288.19962	1.2
299.09549	1.8
307.15457	1.5
316.08905	3.9
317.12137	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	316.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77511	0.4
56.05046	0.5
56.08797	0.3
57.07080	4.2
60.04533	100.0
69.84123	0.9
69.84538	1.2
70.06599	3.8
71.08634	2.2
72.04524	1.5
83.08632	0.5
85.10192	1.3
88.07642	6.7
95.08641	0.5
106.08680	9.1
109.10223	0.3
111.23127	0.3
135.81207	0.3
155.16908	0.3
183.15376	0.4
242.24747	0.8
263.23779	0.5
280.26453	2.1
316.08716	0.4
316.32132	28.4
317.32318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01863	1.0
55.05495	1.2
56.96550	2.0
57.03434	0.7
67.05486	2.8
69.03420	1.0
69.07047	2.5
69.24796	3.6
69.25219	2.3
74.44139	0.6
79.05484	1.7
81.03405	1.2
81.07046	1.8
83.04989	1.1
89.03930	0.7
91.05482	1.7
93.07031	2.4
95.04973	1.5
95.08591	1.9
97.06543	5.5
98.20782	1.5
105.07035	1.5
107.08584	1.8
109.02835	0.7
109.06496	0.7
109.10143	1.3
117.07061	0.7
119.04866	0.6
119.08550	1.8
121.10146	1.4
123.11677	1.0
124.01499	0.9
127.04001	0.6
129.06976	1.0
133.10133	1.1
143.00163	0.8
145.10150	1.2
146.99460	1.0
147.07999	0.8
150.03136	11.9
151.03891	1.0
152.01099	0.9
153.01849	23.9
157.10161	0.9
159.07964	0.7
159.11676	0.7
161.06131	0.7
163.03900	1.0
165.00485	1.0
169.10181	0.6
170.02118	1.0
173.02347	0.9
175.07527	0.6
177.05609	0.7
197.05881	0.6
203.03409	1.9
203.06793	0.6
217.05006	1.7
228.04166	1.5
229.05008	0.7
232.03760	0.7
245.04515	2.8
256.03632	1.2
271.03107	1.2
271.06046	0.9
273.04019	1.2
274.04709	4.0
284.03146	1.0
285.04071	4.5
299.12811	1.1
299.20013	0.8
301.03427	2.8
302.04248	99.6
303.04520	1.2
308.54562	0.7
317.06595	100.0
317.13898	4.5
317.21109	1.7
318.06635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14975	1.5
55.01874	26.5
55.05520	3.7
56.93022	1.3
56.96562	7.1
57.03418	2.3
67.05512	2.5
67.26834	1.5
69.03423	4.7
69.07056	5.8
70.06602	13.0
71.06927	2.6
71.54070	1.3
71.54433	2.1
72.08150	2.9
81.03429	2.8
81.07066	2.0
83.05035	1.6
84.04522	3.8
84.08155	7.4
84.76104	1.4
84.96057	2.0
85.02903	5.3
86.09713	13.2
87.05599	1.9
87.10034	5.4
91.05487	4.8
95.04978	1.8
97.06535	1.8
98.97578	10.0
99.04486	1.8
107.04979	2.5
109.06509	2.3
109.10167	3.8
110.97581	3.6
115.07542	1.8
116.06384	2.4
116.07094	12.4
116.98648	5.5
117.07431	5.7
119.04945	31.8
123.04431	1.9
125.06151	1.6
127.03964	1.8
128.98595	3.8
129.10255	4.1
130.05032	1.9
132.10272	1.8
135.04433	2.5
137.05980	3.7
140.04692	10.1
140.07005	1.5
145.02837	2.5
146.99634	1.4
147.04419	32.8
155.06900	20.7
158.99736	2.1
163.03909	7.6
167.48891	1.5
173.12843	3.6
174.13203	4.4
179.07050	58.0
181.04955	7.6
185.04263	8.7
188.12857	2.9
193.05023	2.5
203.05331	4.3
205.72054	1.5
207.06503	2.1
219.01843	3.4
225.10478	1.7
237.02893	5.7
271.10675	2.9
281.09332	1.9
287.10278	6.4
299.10367	10.3
317.06708	3.4
317.12073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1232
Annotation	Cornoside
Peak:m/z	Relative Intensity
53.03945	2.9
55.01865	2.3
55.05508	1.6
55.93887	1.0
56.56323	1.1
56.96572	6.7
57.03433	2.9
67.05507	2.3
69.02315	1.0
69.03429	26.8
69.07071	100.0
69.52999	7.7
70.06593	10.7
70.07408	1.1
71.04967	2.7
72.08148	2.8
76.50103	1.2
81.03416	12.2
84.04514	2.4
84.08146	20.7
84.96052	1.4
85.02908	11.4
85.06541	1.6
86.09710	8.7
87.08123	9.2
91.05505	3.5
97.02905	5.8
97.06535	1.3
98.21482	2.3
98.97580	16.8
99.04460	11.3
105.07024	1.6
107.04986	1.9
109.02865	5.5
110.97593	2.8
111.04439	2.0
115.07578	24.4
116.07080	2.2
116.98621	5.9
119.04936	1.4
119.08527	1.2
120.08112	1.2
127.03899	13.2
128.98605	1.6
129.10268	8.0
134.99712	1.7
137.06039	1.7
138.09135	1.7
143.03392	8.5
145.04971	2.3
149.01219	1.6
153.01727	1.5
155.06845	2.7
156.10226	3.5
158.99638	6.2
171.02972	1.3
172.46635	1.3
173.12787	1.4
177.00710	6.1
185.04265	3.4
189.03961	2.6
191.03894	1.1
195.10147	1.8
198.07860	1.9
203.05409	2.8
213.03998	4.5
218.78743	1.4
219.01811	3.5
231.05038	3.9
237.02734	2.9
287.10294	7.8
288.92084	1.4
299.10645	11.6
317.06531	4.7
317.11896	26.0
317.15479	3.9
317.21475	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
52.67224	2.2
55.01853	3.6
55.05509	19.8
57.07069	9.4
58.55978	2.3
59.04997	7.6
67.05508	66.6
69.03419	6.5
69.07068	5.0
70.06585	3.7
70.78542	5.9
79.05502	13.2
80.49375	2.3
81.07059	34.1
83.04961	6.4
83.08604	6.7
83.36208	2.1
88.07632	6.5
91.05489	18.3
93.07060	26.1
95.04973	37.2
95.08604	28.4
97.06534	10.4
102.09180	3.0
105.06367	3.8
105.07031	28.5
107.08609	56.8
109.06537	24.7
109.10167	100.0
117.07024	6.1
119.08581	71.2
120.03452	2.7
121.06541	9.4
121.10162	12.8
123.08073	42.1
125.06002	3.6
130.07831	2.5
131.08566	9.3
133.06522	4.5
133.10115	10.9
135.08078	13.4
135.11739	3.9
137.09630	88.3
139.07559	4.2
143.08582	6.9
145.10123	13.7
147.08092	6.3
147.11716	5.7
149.09622	8.3
151.07549	87.4
153.05455	5.8
156.09369	4.9
157.10120	5.1
159.08083	4.4
159.11682	9.2
161.09637	12.0
163.11176	9.2
165.09128	6.8
167.07050	3.5
171.11673	8.5
173.09636	4.7
173.13235	4.8
177.09070	3.0
181.08601	5.5
181.12317	4.3
183.11699	2.9
187.11185	2.8
189.12761	37.0
191.14368	3.2
194.62845	2.6
197.13313	4.2
199.11168	4.2
203.14337	2.5
207.13808	36.5
215.10664	2.5
215.14375	4.8
221.15398	6.1
233.15472	3.0
237.14839	12.0
241.15868	3.4
243.13820	9.6
256.26361	8.5
261.14871	7.8
276.65012	2.4
281.18991	4.1
299.20093	13.3
317.21127	92.4
318.29990	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	317.2114
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.03930	2.8
55.01862	3.5
55.05517	13.9
57.07064	6.1
59.04991	6.5
60.04507	4.1
65.03934	2.4
67.05508	59.5
67.80293	1.3
69.03411	6.5
69.07063	7.1
69.95246	7.3
70.06590	2.8
71.05002	2.8
76.43727	1.3
79.05495	9.8
81.07062	35.6
83.04982	2.2
83.08603	3.3
85.06548	2.2
88.07657	1.7
91.05487	19.2
93.07043	24.4
95.04975	32.5
95.08611	22.3
97.06547	8.6
102.09177	3.3
105.07036	16.6
105.84298	1.5
107.08602	44.7
109.06527	20.0
109.10161	100.0
111.04474	1.4
111.08081	2.9
115.05422	1.8
117.06942	3.3
119.08588	59.0
121.06551	7.5
121.10159	9.4
123.08070	25.0
125.05994	4.2
125.09652	1.8
129.07083	2.0
130.07759	2.3
131.08560	9.2
133.06490	2.8
133.10135	10.2
135.08081	10.8
135.11673	3.3
137.05946	2.3
137.09621	74.7
139.07558	2.8
142.07779	2.5
143.08551	6.4
145.10118	12.2
146.07233	1.8
147.08047	4.8
147.11664	5.4
149.09605	7.9
151.07550	68.8
153.05476	4.6
156.09341	4.2
157.10155	6.7
159.08051	5.4
159.11693	5.3
161.09584	8.8
161.13231	2.8
163.07520	3.4
163.11194	3.7
165.09166	7.6
167.07106	3.4
169.10149	2.7
171.11688	5.0
173.09567	3.4
173.13277	4.6
175.11176	2.7
177.09164	4.3
177.12782	1.8
181.08566	4.5
181.10086	2.4
181.12241	4.1
182.10945	1.6
183.11653	4.4
187.11099	1.6
189.12761	27.5
191.10823	1.8
191.14342	1.5
192.11440	2.4
197.13293	3.1
199.11200	4.5
201.12784	2.1
203.14272	3.9
207.13805	29.4
213.12689	1.9
215.14301	5.6
217.12233	2.7
219.13779	1.8
221.15363	3.2
231.13911	2.1
233.15311	4.1
237.14749	6.9
241.15887	2.7
243.13809	9.4
256.26501	3.9
259.16882	2.2
261.14816	2.8
281.19019	3.3
299.20087	10.6
317.21106	82.9
318.21411	2.0
318.30096	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	317.2689
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
55.05512	13.9
56.96564	10.0
57.03432	7.3
57.06828	7.3
57.07082	100.0
60.04539	53.8
61.04863	6.0
64.90751	4.0
66.29874	4.3
67.05510	32.1
67.05813	5.2
69.07081	28.4
71.08639	72.2
71.54918	4.7
79.05497	7.1
79.36325	3.6
81.07072	42.4
81.59569	3.9
83.08630	20.4
85.10184	42.2
88.07633	11.1
91.05486	8.3
93.07044	10.2
95.08613	61.9
97.10187	9.1
98.97583	6.2
105.07079	10.1
106.08680	5.8
109.10172	32.2
109.44236	4.0
111.11708	4.4
119.08553	10.0
121.10085	5.4
123.11720	11.5
127.03912	4.3
131.08574	6.7
133.10139	8.4
166.76613	4.1
225.22133	19.7
239.27664	4.9
243.23192	7.1
285.18204	6.2
288.92230	5.6
299.25848	59.0
302.04041	5.1
317.06491	18.3
317.17862	12.4
317.20685	9.3
317.32425	38.7
318.30042	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	318.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	57.6
61.94486	0.4
67.05528	0.6
69.07067	0.6
71.55882	0.9
71.95248	0.6
72.96052	0.5
74.97668	0.6
83.04987	0.6
83.70963	0.4
84.96014	0.6
91.05553	0.5
97.06554	1.8
98.97605	1.9
103.15059	0.5
107.08603	0.4
112.99133	4.7
116.98663	1.1
117.03384	0.6
119.04986	1.2
121.10006	0.4
124.42372	0.4
131.00175	7.8
145.02861	0.8
147.04408	3.0
148.04671	0.4
149.01250	5.6
151.00697	1.7
154.01799	0.5
159.10062	0.4
161.05989	0.5
163.00722	0.7
163.03854	0.6
169.01740	2.6
172.02832	0.6
175.00702	0.5
177.02214	2.1
177.05507	1.8
179.00224	0.5
181.01709	1.0
181.98827	0.6
187.02715	1.0
188.98589	2.1
191.00146	3.9
193.01764	5.5
195.03310	6.6
197.01239	0.8
199.02814	0.6
199.99890	0.6
203.00070	3.5
206.99669	0.8
209.01183	3.5
211.02792	5.9
213.04393	8.5
215.02061	0.6
221.01213	7.6
222.07324	0.5
226.20424	0.5
227.02200	0.6
231.07840	1.2
236.06047	0.5
239.02286	100.0
240.02666	1.6
241.02722	0.8
244.02849	1.1
247.02728	0.6
257.03348	71.4
258.03735	0.8
262.03885	9.0
265.03882	2.7
271.04938	0.5
275.04260	0.6
277.03824	3.2
280.04950	3.5
283.04901	0.9
295.04916	16.2
303.45981	0.4
313.05917	2.6
318.06497	2.1
318.21097	0.9
318.29959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22729	0.4
56.96569	57.2
56.96972	1.5
67.05496	0.6
69.07047	1.1
70.06548	0.5
70.98121	0.5
71.55327	0.7
71.95248	0.8
72.96008	0.5
84.96031	0.6
91.05487	0.5
97.06506	2.2
98.97603	3.0
106.06753	0.5
107.08556	0.7
112.99139	5.2
116.98618	1.4
119.04922	1.4
119.08549	0.6
131.00182	8.2
133.10129	0.5
142.44156	0.6
147.04420	2.5
149.01230	6.1
151.00665	2.0
154.01767	0.8
161.05936	0.5
167.02380	0.7
169.01704	3.0
175.00772	0.8
177.02222	2.0
179.00102	0.9
181.01688	1.3
181.98843	0.7
187.02783	1.5
188.98566	1.3
191.00131	3.1
193.01738	7.0
195.03271	7.9
197.01248	1.5
199.99854	0.6
203.00079	3.0
206.99573	1.1
209.01236	3.5
209.06357	0.6
211.02773	6.4
213.04372	7.8
213.06342	0.9
218.04883	0.8
221.01166	9.3
222.07318	1.0
229.03798	0.6
231.05598	0.7
231.07874	0.8
239.02284	100.0
240.02657	0.8
244.02884	0.9
249.02635	0.7
253.03894	1.1
256.26184	0.6
257.03348	73.4
259.03775	0.6
262.03870	8.4
265.03790	3.8
272.08188	0.8
275.04111	0.7
277.03854	3.4
280.04880	3.7
283.04800	1.4
285.05246	0.6
295.04904	17.1
313.05939	2.4
318.06708	2.2
318.15240	1.3
318.20663	1.3
318.30124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52734	1.6
53.03942	1.6
55.05510	5.3
56.05050	1.8
56.96554	6.7
57.03447	11.3
60.04526	2.0
63.94097	1.6
67.05511	22.9
69.03394	3.8
69.07069	3.6
70.06604	13.1
71.04987	2.1
71.54827	2.9
72.04513	2.9
72.08175	7.5
79.05499	10.2
81.07066	8.8
82.06586	2.5
83.08645	1.7
84.04510	12.3
84.08138	6.6
84.96062	2.0
85.02914	74.8
85.03430	3.6
86.06075	3.3
86.09705	7.1
87.04481	3.7
91.05479	5.9
93.07056	8.7
96.08130	1.7
97.02869	2.8
97.06566	9.2
97.10161	2.5
98.97586	7.7
99.61410	1.7
102.05560	3.2
103.03903	2.0
105.03370	3.3
105.07038	3.8
107.08607	13.8
108.08142	4.0
109.10165	64.8
110.06034	8.7
110.09677	4.4
111.08111	1.6
111.45095	1.6
116.98653	2.6
117.07051	2.8
119.08592	3.4
120.08125	11.8
124.07598	2.6
124.11227	7.1
125.09673	8.3
128.10727	2.1
128.98549	2.1
131.00166	2.6
134.09641	8.0
135.08069	8.4
136.07588	2.1
137.09593	5.7
138.05502	2.7
149.01247	3.2
151.03931	1.9
152.10724	47.2
153.09076	13.3
158.99680	1.9
161.05977	2.9
165.09111	2.0
170.11781	100.0
177.05521	1.9
188.12839	59.7
190.12288	10.4
196.53297	1.7
208.13412	9.5
218.11739	2.8
219.01810	1.8
228.15970	1.8
236.12883	17.9
237.02864	2.5
240.08839	1.5
241.09703	1.5
254.13918	59.8
258.12485	3.0
258.17120	8.6
272.14987	18.1
282.13370	2.1
290.15942	1.8
293.21594	1.6
300.14441	9.3
301.11713	2.4
318.06894	1.8
318.14096	2.7
318.19095	10.3
318.30038	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52734	1.6
53.03942	1.6
55.05510	5.3
56.05050	1.8
56.96554	6.7
57.03447	11.3
60.04526	2.0
63.94097	1.6
67.05511	22.9
69.03394	3.8
69.07069	3.6
70.06604	13.1
71.04987	2.1
71.54827	2.9
72.04513	2.9
72.08175	7.5
79.05499	10.2
81.07066	8.8
82.06586	2.5
83.08645	1.7
84.04510	12.3
84.08138	6.6
84.96062	2.0
85.02914	74.8
85.03430	3.6
86.06075	3.3
86.09705	7.1
87.04481	3.7
91.05479	5.9
93.07056	8.7
96.08130	1.7
97.02869	2.8
97.06566	9.2
97.10161	2.5
98.97586	7.7
99.61410	1.7
102.05560	3.2
103.03903	2.0
105.03370	3.3
105.07038	3.8
107.08607	13.8
108.08142	4.0
109.10165	64.8
110.06034	8.7
110.09677	4.4
111.08111	1.6
111.45095	1.6
116.98653	2.6
117.07051	2.8
119.08592	3.4
120.08125	11.8
124.07598	2.6
124.11227	7.1
125.09673	8.3
128.10727	2.1
128.98549	2.1
131.00166	2.6
134.09641	8.0
135.08069	8.4
136.07588	2.1
137.09593	5.7
138.05502	2.7
149.01247	3.2
151.03931	1.9
152.10724	47.2
153.09076	13.3
158.99680	1.9
161.05977	2.9
165.09111	2.0
170.11781	100.0
177.05521	1.9
188.12839	59.7
190.12288	10.4
196.53297	1.7
208.13412	9.5
218.11739	2.8
219.01810	1.8
228.15970	1.8
236.12883	17.9
237.02864	2.5
240.08839	1.5
241.09703	1.5
254.13918	59.8
258.12485	3.0
258.17120	8.6
272.14987	18.1
282.13370	2.1
290.15942	1.8
293.21594	1.6
300.14441	9.3
301.11713	2.4
318.06894	1.8
318.14096	2.7
318.19095	10.3
318.30038	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	318.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
55.05512	10.7
56.05034	4.1
56.96581	12.1
57.03426	3.0
57.07074	1.7
60.04536	35.3
67.05516	2.4
69.03437	4.3
69.07073	2.1
69.71566	3.6
69.71982	6.8
70.02965	3.3
70.06598	14.2
72.04546	1.7
72.08167	94.0
74.06089	7.4
79.05471	2.6
81.03422	3.8
81.07065	3.6
84.04521	3.8
84.08149	2.3
84.96037	2.1
85.02915	6.4
86.09721	87.6
87.00832	1.5
87.05613	25.9
90.05586	1.6
91.05482	2.8
93.07054	3.1
93.52766	1.8
94.06625	2.3
95.04942	2.6
95.08614	1.9
96.08157	2.0
97.02911	4.6
98.06062	1.9
98.97607	15.2
99.00837	3.1
100.07628	2.7
101.07165	5.9
105.07046	2.2
107.04967	2.3
107.08618	2.8
109.02859	2.7
109.10171	1.7
110.07130	1.6
110.97565	2.8
111.04492	1.7
114.09177	16.0
115.19543	1.3
116.98631	5.9
118.08632	3.9
120.08126	46.4
121.10984	1.7
123.11714	2.0
127.03970	2.1
128.10745	6.5
132.10197	7.7
133.10115	2.2
138.05510	1.7
140.05362	7.4
142.12260	3.3
143.11819	1.8
146.50633	1.7
146.83636	1.6
149.01251	2.4
156.53703	2.1
157.10156	1.9
158.99710	5.5
159.11316	100.0
173.12888	77.9
177.00746	4.4
182.06236	2.6
183.06506	1.7
186.05931	4.0
187.10805	30.0
187.14450	24.5
191.11774	19.8
193.12337	3.2
194.07036	6.2
196.04306	2.1
196.53432	2.6
201.12386	22.4
203.07605	1.6
210.05792	4.0
210.14905	4.0
211.13226	2.0
215.13925	5.3
219.11516	10.3
219.13332	3.3
221.09219	1.6
226.11060	5.5
227.11894	3.7
228.10251	2.6
228.16006	6.0
231.17058	3.7
237.02934	4.6
237.09105	2.2
238.05353	5.5
245.04504	2.1
254.13870	3.4
255.11375	4.0
256.26071	1.9
262.67581	1.7
270.10025	6.6
272.11578	6.9
273.12335	2.7
274.16556	4.8
282.04126	1.7
283.10779	2.7
288.10587	2.5
301.11917	34.0
319.12915	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	319.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82553	0.3
56.96571	0.7
60.04556	0.5
69.58652	2.3
72.08161	0.6
81.07079	0.4
85.02882	0.4
86.09716	0.4
95.66501	0.3
97.02894	0.6
98.97573	0.8
101.03905	0.3
108.70950	0.4
127.04015	0.3
144.08208	0.4
157.07651	0.8
159.11287	0.4
160.11659	0.4
160.15770	0.3
161.06029	1.2
167.07318	0.7
169.07643	0.6
170.08406	0.7
171.09221	1.2
172.11250	0.4
174.09065	0.9
182.09685	0.5
183.09215	1.2
184.09953	1.9
194.08397	0.6
195.07729	0.4
197.07167	0.9
198.07965	1.3
199.08675	1.6
199.12267	2.2
200.10791	1.1
209.10736	1.0
210.11514	0.4
211.08778	2.3
212.09454	4.8
213.10275	3.8
214.87112	0.4
219.01964	0.4
225.10211	3.5
226.11023	10.5
227.11819	11.2
228.10234	4.6
229.09793	0.7
239.11984	0.4
240.08957	0.5
241.09828	0.5
245.12968	0.7
254.10515	1.7
255.11275	9.7
257.09229	0.5
270.09991	17.7
271.10870	2.7
272.11594	13.7
272.13931	0.2
273.12375	7.4
283.10803	7.3
301.11853	100.0
302.12177	1.4
313.58136	0.3
319.12909	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	319.2272
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
52.53370	1.6
53.02309	1.7
53.03947	4.0
53.81613	1.5
54.64964	1.6
55.05504	8.3
56.96561	5.1
57.03433	3.0
59.12059	2.4
61.02918	3.3
62.44900	2.0
65.03956	3.4
66.92002	1.8
67.05511	18.8
67.08848	1.7
69.03440	4.2
69.07069	7.5
71.04984	2.7
71.55604	2.3
74.23758	1.9
78.04704	1.6
79.05508	22.8
79.78091	1.9
81.03436	2.7
81.06641	3.0
81.07070	36.4
83.04996	3.9
83.08661	2.2
85.02924	4.3
91.05489	29.6
93.07057	39.9
95.04997	4.0
95.08617	60.1
97.06533	6.9
97.10184	2.9
98.97584	15.9
99.04477	2.1
100.08495	1.9
105.04485	2.8
105.07044	60.1
107.08610	52.1
109.02892	4.3
109.06533	5.8
109.10176	21.9
110.97598	3.9
111.04459	3.9
111.08094	5.3
115.05497	4.0
116.98666	3.5
117.07024	17.8
119.08598	100.0
121.06509	6.3
121.10162	29.0
123.08077	5.9
123.11713	9.6
125.09641	3.5
126.09173	2.9
128.06223	6.0
128.98610	4.1
129.07016	20.9
130.07799	3.5
131.08589	44.2
133.06535	3.5
133.10156	30.8
135.08093	2.1
135.11723	13.8
137.09644	3.6
139.11208	5.0
141.07024	3.4
142.07755	7.1
143.01947	2.0
143.08583	29.1
145.10144	83.5
147.08069	4.5
147.11714	24.6
149.09648	27.3
149.13268	5.1
151.11220	2.5
154.07787	3.1
155.08592	10.5
156.09354	3.6
157.10156	32.7
158.99681	2.8
159.11719	35.3
161.02974	2.6
161.06009	9.6
161.09644	4.0
161.13263	8.0
163.11238	7.1
165.07066	2.1
165.12802	3.8
166.05026	7.3
167.07161	2.3
167.08621	4.8
168.09387	4.1
169.10146	18.3
171.11714	32.5
173.09720	2.0
173.11967	2.0
173.13268	12.5
175.11188	5.3
175.14813	2.9
177.00722	2.3
177.12781	6.8
179.08536	3.9
181.10179	9.9
181.13272	1.9
182.11018	2.7
183.11729	17.0
185.13304	17.8
187.14908	5.0
189.05421	1.9
189.12694	4.0
191.14331	5.6
193.10188	3.0
194.04591	1.7
195.11807	10.3
197.13283	14.9
199.14876	12.1
201.16356	2.5
203.14400	2.3
209.13466	9.4
209.15265	3.5
211.14850	7.9
213.16396	8.3
215.14537	2.2
219.01816	5.7
223.14873	6.8
225.16397	8.4
227.11856	3.5
227.17932	2.7
229.19495	2.6
237.02931	3.3
237.16464	5.0
239.18002	7.0
241.15901	3.6
241.19547	20.7
243.21217	2.8
253.19518	28.9
255.11337	5.4
255.21136	11.4
259.20721	2.1
265.19534	16.1
271.20627	25.2
273.12372	7.8
273.22116	3.0
278.12811	2.9
283.10736	4.0
283.20581	33.0
286.12650	2.5
286.62726	7.9
289.21652	17.9
295.63391	2.7
301.11923	10.8
301.21689	31.9
319.12894	10.3
319.19089	3.9
319.22733	68.0
319.26498	4.3
320.98248	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	319.227
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
52.54485	2.4
53.03931	6.2
55.01873	5.1
55.05510	21.1
56.05026	3.4
56.96559	9.8
57.03436	5.0
58.99575	6.6
61.02907	2.6
63.90071	2.4
65.03928	3.1
67.05221	2.7
67.05505	27.6
69.03408	8.4
69.07063	14.5
69.35542	20.5
70.06583	11.1
71.04974	3.3
72.08147	8.9
74.00648	3.8
78.41846	2.7
79.05494	21.0
81.03413	4.9
81.07063	52.4
83.04972	6.2
83.08614	6.3
84.08128	7.3
85.01134	3.7
85.02885	5.5
86.00655	27.4
86.09698	7.5
91.05486	31.6
93.07050	43.1
94.06570	4.2
95.04955	9.8
95.08612	72.6
97.02883	5.4
97.06525	7.1
97.10167	5.6
98.09698	7.6
98.97596	15.2
100.07623	6.9
105.03400	7.5
105.07035	56.6
107.04972	6.5
107.08610	55.8
109.02896	3.3
109.06511	4.1
109.10130	23.2
110.09696	3.2
111.08112	6.7
113.04233	13.2
115.05528	3.2
116.01685	4.6
116.98598	6.6
117.07014	18.3
117.28661	2.7
119.04925	3.5
119.08581	100.0
120.08071	5.7
121.06477	7.5
121.10136	33.6
122.06054	5.1
122.09674	3.9
123.08060	13.6
123.11715	10.3
125.09630	4.0
127.03926	3.0
128.06195	6.4
129.07014	18.9
130.05019	3.7
130.07764	3.9
131.08569	56.7
133.10130	32.7
135.08090	5.8
135.11679	15.3
136.07576	5.8
137.05983	3.6
137.09636	3.0
139.03847	3.9
139.11119	4.5
141.07019	7.8
142.07765	7.4
143.08546	33.2
144.09309	2.9
145.06454	3.6
145.10123	84.3
146.06078	5.6
147.08043	4.8
147.11690	21.9
149.09598	30.1
149.13251	6.4
155.08542	10.3
156.08400	68.7
156.10304	5.0
157.10147	37.7
158.09587	4.1
158.99649	4.6
159.11687	38.9
160.09673	6.1
161.05919	12.6
161.09648	3.3
161.13231	9.4
163.11171	7.0
167.07196	5.8
167.08540	6.4
168.09344	4.5
169.10136	18.4
171.11684	34.8
172.07591	4.0
173.09483	3.0
173.11938	3.0
173.13219	15.4
175.11169	3.6
177.00694	3.0
177.12759	6.6
181.04858	3.2
181.10092	8.2
182.09549	3.4
182.11014	2.6
183.11720	19.8
185.13243	13.9
186.07535	3.3
186.09120	5.1
187.11115	4.0
188.07040	8.6
189.03300	2.7
189.12639	5.3
191.07040	3.3
191.14357	3.9
195.11638	8.2
197.13225	15.1
198.07863	3.8
198.09517	17.6
199.08601	4.5
199.12399	2.7
199.14909	9.3
201.12682	4.9
209.13203	10.7
210.09113	4.9
211.08743	6.7
211.14917	7.8
212.09424	7.5
213.10257	4.8
213.16411	9.8
214.08636	9.2
215.06943	3.5
215.14261	3.9
216.08617	5.6
216.10545	85.2
217.09683	3.3
219.01779	3.6
223.14847	8.7
225.16379	8.6
227.08264	6.0
227.11795	15.9
227.17978	4.2
228.08586	3.7
228.10423	4.4
229.09795	5.6
231.17339	3.2
237.02884	5.1
237.10287	3.6
237.16370	4.6
239.08171	8.2
239.18048	5.9
240.08916	11.3
241.09776	13.9
241.15828	3.4
241.19530	23.8
242.08080	5.2
243.11288	3.2
245.04628	4.8
245.11108	6.5
251.11275	5.6
253.19490	33.8
255.11330	30.8
255.21085	8.2
256.09705	4.4
257.12860	4.7
259.11075	56.8
259.16794	3.2
259.20544	4.0
260.11615	8.3
265.19620	14.3
271.20569	24.6
273.12332	53.4
273.22226	3.2
274.10599	3.1
283.10876	18.2
283.20624	36.4
289.21606	9.8
301.08453	6.7
301.11819	59.6
301.15100	3.6
301.21561	35.5
302.10394	3.4
302.36990	3.2
319.09167	9.7
319.13007	80.2
319.19107	5.2
319.22672	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30635	1.5
51.81104	1.6
55.01884	2.6
56.05035	15.6
56.96567	19.6
57.03434	3.8
58.06599	6.6
60.04530	3.9
61.02928	3.8
63.41902	1.5
68.05030	2.7
69.03426	14.7
69.07073	4.7
70.06596	14.1
71.54671	2.2
72.08157	2.9
73.02914	4.2
73.12963	1.8
74.06084	31.5
81.03413	4.6
81.07060	2.0
82.06574	4.7
84.04504	13.8
84.08146	14.3
84.95990	2.2
85.02902	21.7
86.06068	8.2
86.09708	70.3
86.11688	1.6
87.04465	2.0
87.05639	1.7
87.69364	1.8
88.03999	4.5
88.21139	1.7
97.02891	9.5
98.09682	1.8
98.97574	18.1
101.07133	20.4
102.05540	6.8
110.97600	4.6
112.07600	4.3
113.06025	2.2
114.05550	3.3
116.98642	8.8
118.37569	1.7
119.01868	4.1
120.06615	1.9
126.12813	2.1
127.03933	7.2
128.08281	1.7
128.98637	5.2
129.10277	2.4
130.05031	3.6
130.08589	10.1
131.00194	2.2
131.55182	2.0
134.99660	2.2
137.05977	5.0
140.00194	7.9
140.07054	2.1
140.98593	2.5
142.01808	4.4
142.03520	2.3
142.12297	9.4
143.00180	3.2
143.11827	5.6
144.06573	2.3
144.54126	1.9
145.04941	2.3
146.99683	3.3
152.10617	1.8
156.03316	3.7
156.54091	2.6
157.09734	5.8
158.01279	5.3
158.08160	2.0
158.99669	7.2
159.07687	5.4
165.54749	3.5
168.03320	3.7
173.12810	1.9
174.04454	4.8
174.55202	7.7
177.00702	4.1
182.99731	2.1
183.07664	1.9
186.00790	4.0
186.04404	9.6
187.14429	100.0
189.00739	4.2
189.08850	2.1
195.05196	2.2
201.00703	2.2
201.08740	7.2
201.12300	3.8
204.01842	3.7
204.05498	4.1
207.55643	2.9
208.07294	3.0
215.13902	25.9
217.07970	7.5
219.01761	5.8
219.13548	3.0
228.05472	5.5
230.56145	2.0
237.02850	2.0
240.05727	2.3
241.05713	4.2
246.02808	1.8
246.06541	2.5
250.09218	1.7
255.57993	2.8
258.06473	2.9
261.02856	6.3
270.06564	3.3
274.08276	4.8
276.07242	4.0
279.03894	3.6
294.06158	2.4
302.13467	12.7
302.17007	4.0
314.05600	2.1
315.05475	3.1
315.08688	2.9
316.06699	1.9
320.14188	6.7
324.56833	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	321.0252
Annotation	Luteic acid
Peak:m/z	Relative Intensity
59.77125	1.7
74.34038	2.3
76.48088	1.7
77.80567	1.7
98.20699	3.5
110.75319	1.7
111.05576	1.7
141.06558	3.4
159.07660	2.8
191.98251	100.0
205.96193	87.1
228.97131	2.1
229.74980	1.8
250.16966	1.8
259.02493	13.7
260.00925	2.3
277.03561	25.4
303.01489	10.5
303.99863	4.0
321.02570	45.6
321.06165	4.8
321.09604	6.8
336.39114	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06841	2.9
62.61758	3.4
70.66423	4.4
70.66746	8.6
75.84017	3.2
77.81484	3.1
84.95469	3.8
110.81194	3.2
111.05543	3.7
112.89624	100.0
114.89346	26.2
119.01936	7.8
141.06583	14.8
159.07614	5.5
161.03040	3.5
179.09456	3.4
179.11482	3.3
189.02524	7.3
194.15068	3.4
194.19598	3.9
201.02589	4.2
208.95686	3.5
233.05063	4.5
245.30447	3.4
247.91241	41.3
321.05893	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	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25463	2.0
58.99863	2.9
71.54469	2.8
73.01431	2.4
82.99850	9.2
85.01428	2.7
89.00866	3.2
91.02457	4.0
95.05320	2.5
96.88029	2.0
97.01374	7.0
98.97585	6.6
99.02946	2.6
101.00883	91.5
103.02417	2.8
103.21375	2.2
104.96602	2.1
104.97382	2.1
110.97565	2.6
113.00882	27.0
115.02440	30.2
117.03988	7.4
119.01930	100.0
125.00797	2.0
126.98754	2.8
127.02449	6.0
129.03996	5.6
131.01923	44.1
133.03476	42.7
135.05020	6.7
137.00833	6.3
137.02977	8.7
141.03918	3.1
143.01912	28.6
144.99771	4.7
145.03479	16.5
147.01312	2.7
147.05035	5.1
149.02995	6.7
151.04512	4.9
155.01912	34.8
156.02695	5.3
157.03447	11.3
159.01454	4.4
159.05051	32.2
161.02995	23.6
161.06523	3.2
163.04535	4.7
168.99828	19.8
171.01398	10.2
171.05038	34.4
173.02977	34.1
173.06584	7.4
175.04515	7.4
177.00851	2.9
177.02490	5.8
177.06059	7.8
179.04076	2.2
183.05075	2.9
185.03029	6.1
187.00906	44.7
187.04543	4.3
189.02469	20.1
189.06097	16.6
191.04005	21.1
196.99347	19.1
201.02382	5.3
201.06105	11.8
203.04019	18.2
205.01973	12.1
213.06082	10.8
215.00368	51.4
217.01944	3.3
219.03511	8.3
219.07173	6.6
221.05074	36.2
229.01974	32.7
231.03481	5.6
233.01427	3.4
233.05064	26.8
243.07182	6.3
245.05075	4.5
247.03027	87.4
249.04570	4.2
261.08191	52.7
265.03983	11.2
279.06006	3.4
279.09274	62.4
289.04065	12.2
321.02850	2.6
321.06570	8.8
321.10382	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	1.5
56.96568	24.1
60.49399	1.0
62.54393	1.0
63.41874	1.0
69.03421	1.9
69.07080	1.0
70.06596	4.4
71.04977	1.4
71.53900	1.0
71.54295	0.9
71.95271	1.2
84.04509	2.1
84.08137	2.9
84.96041	11.7
85.02895	3.1
85.08491	1.1
86.09717	2.7
87.10035	1.2
97.96832	1.0
98.97591	100.0
110.97570	24.6
112.51034	0.8
112.99138	2.8
116.98631	34.3
122.63276	0.8
124.99108	2.6
127.03866	1.3
128.98619	22.5
129.10236	1.1
131.00189	2.5
134.58229	0.8
134.99696	6.0
140.00209	1.9
140.98593	5.1
143.00192	10.1
144.95920	0.9
144.98123	3.7
146.99660	8.1
149.01213	1.3
152.98607	10.5
155.00160	1.4
158.97461	1.3
158.99643	15.3
161.01219	8.0
162.99174	1.8
170.99666	10.0
171.63840	0.9
173.01221	2.0
177.00746	14.0
189.00731	4.3
201.00618	4.8
201.04434	1.3
219.01758	28.0
234.98984	2.2
237.02843	34.3
242.03326	1.0
255.03908	2.2
261.06458	11.3
268.24490	1.0
279.07532	89.2
280.07764	1.4
284.20221	1.0
297.08630	11.3
302.09061	2.5
321.08640	62.4
339.09747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
56.21328	0.8
56.96559	1.1
65.03928	0.7
67.05502	3.3
70.06593	3.1
70.35580	1.6
72.08152	2.0
79.05495	2.5
81.03394	0.7
81.07037	1.2
82.06563	0.9
84.00106	0.7
85.02856	0.6
91.05486	3.2
93.07029	1.8
94.06573	3.7
95.04977	1.2
96.04490	0.7
96.08136	4.7
97.06527	5.0
98.97585	1.3
106.06532	1.0
108.04482	2.6
108.08127	1.7
109.05254	1.2
110.06027	2.5
120.08105	1.5
122.06042	31.7
124.07604	8.9
130.04980	0.7
134.06027	2.8
136.07590	71.7
138.05508	2.7
140.07085	1.9
150.05527	16.7
151.06375	0.8
152.07082	23.1
164.07080	100.0
166.08664	1.2
168.06573	4.4
170.08163	1.3
170.09659	1.0
172.07617	1.3
174.08975	1.0
182.08148	14.4
186.09183	1.1
192.56342	0.9
198.09230	1.2
200.10796	0.7
212.10721	2.4
213.07832	0.7
215.11838	1.2
228.10332	0.8
229.09938	1.1
238.47063	0.7
240.10179	1.8
243.11295	2.2
257.12784	3.8
267.11081	0.9
285.12360	26.4
291.13251	1.0
303.10065	1.1
303.13437	19.8
303.16858	1.3
321.14655	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	321.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01862	0.7
55.05507	0.8
56.96548	1.2
65.03954	0.7
67.05515	9.0
69.03447	1.2
69.07049	1.1
69.37369	0.7
69.80684	0.6
71.12499	1.2
77.03941	0.6
79.05493	0.8
81.03399	0.6
81.07039	1.6
84.08157	0.7
85.02909	2.6
85.06625	0.6
91.05486	1.9
93.05809	0.7
93.07042	1.9
94.06577	8.5
95.04962	0.9
95.08627	3.1
98.97556	1.2
105.07033	1.3
107.08586	0.9
108.08115	1.2
109.02871	1.2
109.50251	0.6
113.09664	1.3
119.08585	0.8
122.05154	1.3
122.06048	29.5
136.07594	65.7
137.06000	0.9
140.07037	1.0
145.02875	1.2
146.06015	1.7
164.07088	100.0
165.07336	1.4
166.05055	0.9
177.05470	1.6
182.08148	65.2
188.07144	1.2
213.54839	0.6
215.25865	0.6
237.02945	0.8
243.11269	0.5
259.14462	1.3
278.05811	1.1
289.08517	0.7
303.13486	0.9
304.11816	0.8
321.07587	0.7
321.11169	1.3
321.18048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
55.05535	1.1
55.32186	0.9
56.96574	2.0
67.05511	11.6
67.80123	0.8
71.05016	0.9
71.55112	1.1
79.05504	1.6
81.03430	1.6
81.07034	2.4
83.04975	0.9
83.27409	0.9
83.68687	1.0
85.02915	1.4
85.16690	0.8
90.94915	0.8
91.05476	3.6
91.63574	0.8
93.07040	3.5
94.06577	10.6
95.04980	0.9
95.08585	1.9
98.97589	1.8
105.07050	1.8
106.95341	0.9
107.08601	2.1
108.04518	0.9
108.08157	1.1
109.02879	1.2
109.10166	1.0
117.03427	0.9
119.08584	1.4
119.11459	0.8
121.02810	1.1
121.10162	0.9
122.05157	1.9
122.06047	38.6
130.06541	2.9
131.08646	1.0
132.08080	1.0
135.11670	1.0
136.07594	64.6
137.07869	0.9
140.07066	1.7
146.05989	2.7
156.02089	0.9
159.09192	1.8
164.07088	100.0
177.05487	2.2
182.08154	67.4
183.11624	1.0
188.07100	3.0
189.06760	1.0
226.16878	0.9
230.11751	0.9
286.10739	1.2
304.11752	3.6
321.07608	1.6
321.11136	2.2
321.14526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60139	0.7
53.16393	0.7
55.05510	0.9
56.96564	0.8
64.48544	0.7
67.05510	1.3
69.44353	5.2
76.23226	0.6
79.05494	1.1
79.84968	0.7
81.07065	1.7
81.24245	0.7
86.09715	95.6
91.05483	1.0
93.07059	2.3
95.04977	1.6
95.08621	2.0
97.06548	1.0
97.10216	1.0
98.97607	1.8
102.61997	0.8
103.05463	5.7
105.07043	0.8
106.20258	0.7
107.04947	0.9
107.08607	1.3
109.10091	0.8
116.73107	0.7
120.08118	100.0
128.10730	48.4
131.04967	2.4
147.46712	0.8
149.05992	1.3
156.10226	12.1
161.59380	0.7
166.08650	55.4
221.88589	0.8
321.24319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05418	0.3
56.34183	0.3
56.90498	0.3
56.96576	1.3
62.26769	0.3
69.98328	1.5
71.95267	0.4
98.97591	5.6
101.00891	0.9
101.52556	0.3
116.98640	2.3
119.01936	2.1
120.02026	0.3
134.99680	0.4
137.03011	0.4
140.98872	0.5
142.03503	0.4
158.99902	2.4
162.03165	0.3
177.00970	11.8
178.01146	0.5
178.45566	0.3
182.99847	2.4
190.02536	0.3
201.00946	8.8
214.96487	0.7
216.98708	0.4
219.02017	100.0
220.02098	3.5
220.94609	0.4
221.02435	0.5
236.99524	1.3
238.95558	2.8
242.03618	5.0
254.93248	0.3
256.92981	0.9
256.96915	8.8
257.96643	0.4
258.99783	0.3
266.95990	0.3
272.94370	0.4
274.94214	1.6
274.97693	0.9
279.98297	1.3
280.96628	2.0
286.96127	0.3
292.95007	0.5
298.97714	40.3
299.97849	1.1
300.98376	0.3
316.93384	0.5
316.98889	0.4
319.43781	0.8
321.99319	3.3
325.92371	0.5
327.97079	0.3
328.44162	0.7
328.94269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.05515	12.3
55.05788	0.6
56.05042	0.8
56.96571	0.6
57.05817	1.1
61.02904	0.3
68.49267	0.3
69.03427	0.5
70.06589	1.7
70.84177	0.7
72.08160	100.0
73.08494	0.5
81.03452	0.3
81.07069	0.3
81.09781	0.4
84.08144	1.0
85.02914	0.6
86.09714	0.9
91.05473	0.6
98.97588	1.1
103.05482	1.1
105.03381	0.8
107.04965	0.6
107.08575	0.4
120.08112	50.3
129.10236	4.1
131.04903	1.0
136.07539	0.4
149.05971	0.5
157.09734	12.0
164.07097	0.5
166.08652	30.9
177.10240	6.6
181.04924	0.4
205.09818	0.5
207.07628	0.4
220.05121	0.7
223.10786	21.3
235.07613	0.6
241.08247	0.9
263.07019	0.8
273.68158	0.4
277.15512	0.9
286.12439	0.3
304.13354	0.4
322.17386	1.2
323.09027	1.7
323.12509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03938	1.1
55.05299	0.5
55.05512	5.0
57.07084	0.8
60.04515	0.7
62.06092	100.0
67.05509	17.3
69.07079	4.3
77.03899	0.6
79.05058	0.9
79.05499	10.2
81.06594	0.9
81.07063	17.5
83.08591	1.4
91.05489	5.5
93.07051	11.9
95.04975	0.6
95.08614	11.6
97.06533	0.9
97.10172	0.7
98.06030	0.5
98.21627	1.2
105.07037	3.3
107.08597	6.6
109.10169	5.4
111.08114	0.5
117.07000	0.8
119.08598	2.3
121.10146	5.6
123.11718	3.1
131.08598	2.5
133.10107	2.3
135.11688	3.9
137.13239	0.6
138.68922	0.5
145.10127	2.1
147.11722	1.3
149.13263	2.4
159.11661	0.8
161.13237	1.2
163.14819	1.5
164.75159	0.5
172.13374	0.5
173.13245	1.1
177.16391	1.3
186.14876	1.0
187.14864	1.1
200.16415	0.8
210.61639	0.5
214.18044	0.8
219.21170	0.7
228.19566	0.5
240.19667	0.6
243.21056	2.3
261.22180	3.5
287.07718	0.5
287.69211	0.5
291.19415	0.7
304.26303	2.2
305.24716	2.3
322.27441	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	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89521	7.2
53.54723	7.3
54.76780	6.3
58.61348	6.5
70.22224	23.5
98.20831	10.4
130.04851	6.5
138.85963	6.7
143.01953	10.0
160.42450	9.0
161.99590	13.0
194.15160	7.5
248.89702	16.8
256.84021	8.8
323.07419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98762	0.6
53.03943	0.6
55.05508	2.7
56.96568	7.3
57.03456	0.8
58.97766	0.5
67.05521	2.8
69.03439	1.7
69.07057	3.2
69.24590	4.6
79.05491	3.6
81.03388	1.4
81.07053	5.1
83.04983	1.2
83.08629	0.6
84.04528	0.6
84.96040	0.8
85.02909	0.8
91.05485	1.8
93.07058	3.2
95.05000	1.8
95.08626	2.5
97.02911	0.5
97.06535	6.0
97.10161	1.3
98.97607	1.7
105.07060	2.1
107.08622	2.0
109.02894	0.8
109.06493	0.8
109.10204	1.7
111.04434	0.8
111.08095	1.3
112.08853	1.0
113.94529	0.6
117.30348	0.6
119.08618	0.9
121.02911	1.0
121.06499	0.8
121.10159	1.4
123.11658	1.0
124.99184	1.1
127.00633	0.5
129.06960	0.7
133.06477	0.6
133.10188	1.2
135.08084	1.0
135.11736	0.8
137.05994	5.9
137.09528	0.5
137.13335	0.5
139.07668	0.7
143.00223	2.7
145.06525	0.5
145.10196	0.7
147.04352	0.6
147.11746	0.8
149.06041	0.9
149.09702	0.6
149.13345	0.6
151.07585	0.7
153.12712	0.6
156.81566	0.6
157.06622	0.5
157.10190	0.6
161.01231	1.5
161.05920	4.1
163.03943	1.7
166.01898	0.7
166.07729	0.6
167.08597	0.6
169.01817	0.8
170.99669	1.9
171.08066	0.8
173.02399	0.8
174.04480	0.7
177.05482	0.8
180.06157	0.6
185.01242	1.0
189.00682	1.6
195.08127	0.8
199.07603	1.8
202.07802	1.6
203.02309	0.7
203.08546	1.4
205.06535	0.7
213.00743	1.2
213.09550	0.6
215.06926	2.4
219.08046	0.7
220.05258	1.0
221.06107	0.9
223.04419	0.9
229.07570	1.3
231.01819	1.8
231.08104	2.7
232.08969	0.6
235.07672	1.6
237.00760	0.7
237.05476	0.8
241.08623	1.0
248.08289	1.3
249.02905	1.9
249.10985	1.4
252.06540	2.2
259.07434	1.1
259.09839	2.8
260.10217	0.8
261.07059	1.2
263.07086	1.6
263.10721	1.3
267.03830	0.8
276.07880	1.2
277.08652	1.2
283.06683	0.7
291.10190	4.8
292.10818	1.1
293.08600	0.6
295.06226	0.9
295.09747	1.1
295.13272	1.0
302.09085	0.6
303.67490	0.6
323.05707	4.5
323.08804	3.3
323.14749	100.0
324.15079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1611
Annotation	Terezine B
Peak:m/z	Relative Intensity
53.03952	1.1
56.96556	2.1
57.72622	0.6
60.05653	0.9
62.59047	0.6
62.78215	0.6
67.05496	0.7
69.35265	0.5
70.06595	2.6
70.88531	1.4
71.05040	0.6
72.08170	3.1
72.51260	0.6
73.99367	0.6
79.05489	1.3
81.07053	0.9
84.04507	1.3
84.08148	100.0
85.02908	0.8
86.09741	0.9
90.48107	0.6
91.05496	2.7
97.02927	0.8
97.06507	0.6
98.93552	0.6
98.97592	2.3
105.03382	1.3
107.04979	0.9
108.08150	4.7
110.06048	0.7
116.98650	1.0
118.06590	1.3
119.07360	0.9
120.08115	6.6
121.08466	3.9
122.06042	1.0
124.07592	2.4
131.08237	0.6
136.07588	18.1
142.08649	2.8
142.09731	0.6
145.02853	0.8
146.06015	1.5
148.07611	1.3
152.07083	0.7
154.08577	0.9
164.07382	32.0
177.05475	2.5
181.08893	0.9
198.09311	0.8
198.11302	0.7
201.10199	1.6
213.10234	1.4
220.15273	1.7
226.10973	1.8
232.10883	0.6
235.07600	0.9
237.05690	0.8
241.09761	1.2
241.13361	4.5
249.05673	0.7
259.14526	4.7
262.99692	0.7
263.07056	0.9
267.10202	2.1
268.43289	0.6
269.12875	6.4
279.13025	0.7
287.13901	6.4
305.14975	10.9
323.05545	1.4
323.09079	2.3
323.12180	1.8
323.16302	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	323.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45433	0.3
69.55235	1.6
70.06586	0.3
72.08176	0.5
77.13783	0.2
84.08152	100.0
85.02908	0.4
86.09737	0.3
98.97591	0.4
120.08126	1.4
121.08459	1.0
136.07567	0.5
154.48366	0.2
164.07422	26.4
192.97408	0.2
220.15323	0.7
323.16428	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06103	3.2
53.03937	9.8
55.01862	15.7
55.05515	50.8
55.59883	3.4
57.03433	11.4
57.07072	7.8
59.04982	5.2
59.17058	3.8
62.81858	3.5
65.03928	5.1
67.05510	79.3
69.03424	5.6
69.07076	29.0
69.27751	9.3
69.28172	24.3
71.04984	4.1
73.19534	3.8
75.85004	3.2
79.05503	68.4
81.03415	5.1
81.07059	89.8
82.24062	3.8
83.01358	5.0
83.04987	30.4
83.08614	16.4
85.06540	9.1
86.81152	3.6
90.56774	3.4
91.05488	69.9
91.74307	3.1
92.76614	3.6
93.07050	75.8
95.04961	20.2
95.08614	43.8
96.41826	3.8
97.06525	14.1
97.10159	8.5
105.06402	5.3
105.07045	54.6
106.95010	3.6
107.04948	16.9
107.08603	52.8
109.02926	4.1
109.06514	13.5
109.10162	45.8
111.04447	12.0
111.08065	12.3
117.06998	8.1
119.08572	28.8
121.06506	23.4
121.10168	16.7
123.08067	11.1
123.11694	15.8
124.97560	3.7
125.05979	5.9
129.06979	8.5
131.08580	23.8
133.06456	17.4
133.10138	80.6
135.08064	14.0
135.11716	17.6
137.06000	5.9
137.09618	7.6
139.07545	13.4
141.09099	3.6
143.08556	10.0
145.10124	16.4
147.08049	16.5
147.11696	14.3
149.09627	17.7
151.07532	6.6
151.11191	62.9
157.10019	8.9
159.11714	9.8
161.09636	19.4
161.13243	5.1
163.11203	9.3
164.92036	3.7
165.09135	6.2
165.12825	4.1
167.10631	4.2
168.14659	3.5
171.11719	7.4
172.97470	3.8
175.11206	13.2
177.09126	5.4
179.10747	17.6
179.14317	4.2
183.13815	22.6
185.13364	4.8
189.12762	12.7
190.67299	3.8
203.14381	6.6
227.17990	5.1
229.14343	4.6
245.19035	21.7
255.17403	9.8
263.20163	23.5
267.10184	7.1
273.18515	55.4
291.19553	100.0
305.21228	5.3
323.16400	7.0
323.22449	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01862	7.8
55.05501	7.6
56.96552	2.4
57.03446	25.4
57.07077	3.4
65.03914	3.0
67.05511	28.9
69.03430	4.2
69.07086	4.6
71.04995	2.3
71.55225	2.7
78.88477	1.8
79.05499	21.7
81.03423	2.4
81.07060	20.7
83.04968	6.9
83.08605	6.0
85.06546	30.5
91.05489	16.1
93.07055	15.4
95.04980	38.6
95.08627	11.2
97.06546	2.7
98.97599	5.7
105.07030	8.8
107.04969	5.1
107.08599	10.5
109.05876	3.1
109.06524	28.3
109.10178	6.0
111.04442	9.5
111.08065	3.1
113.06020	100.0
116.63993	2.2
116.98573	2.4
117.07004	6.6
118.10555	2.2
119.08567	8.9
121.06480	5.8
121.10114	4.7
123.08047	3.6
129.06978	3.2
131.08536	8.7
133.10144	5.6
135.08060	25.7
135.11691	3.8
143.08592	3.0
145.10126	9.3
147.08076	5.6
147.11613	2.4
149.09605	3.7
153.12764	3.6
157.10141	3.9
159.07994	2.3
159.11690	3.7
161.09650	5.3
163.11179	6.6
165.09140	3.4
168.56493	2.0
171.11739	3.9
177.12759	2.9
181.12234	3.3
191.10686	3.7
217.15851	8.7
227.12817	4.8
258.99704	2.4
267.10410	3.5
273.18503	16.6
291.19565	50.8
305.21167	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01872	4.8
55.05516	29.1
57.03433	1.7
59.04976	1.7
62.06093	81.4
63.06430	7.8
67.05182	1.9
67.05511	26.8
68.05840	4.1
69.03429	3.9
69.07076	19.8
70.84330	4.9
74.74461	1.5
75.73541	1.6
79.05068	2.2
79.05502	23.9
80.05827	3.4
81.03416	2.2
81.07062	29.7
82.07402	4.7
83.04979	4.7
83.08212	1.8
83.08633	15.8
87.50227	1.7
91.05495	14.6
93.07048	21.5
94.07394	2.5
95.04961	6.0
95.08612	15.3
96.08929	2.3
97.02913	2.9
97.10178	21.9
105.07021	12.0
107.04950	5.2
107.08604	19.4
108.08929	3.5
109.10172	6.8
110.10494	3.2
111.04478	1.7
111.08080	2.0
114.22357	1.6
117.07018	5.3
119.05030	1.7
119.08585	7.8
121.10150	7.2
122.10473	2.2
123.08055	7.3
123.11732	3.9
125.09636	22.0
129.07024	1.9
131.08601	5.7
133.06476	3.9
133.10127	5.1
134.07256	1.9
135.08047	6.7
135.11674	5.6
137.09666	3.0
143.08572	4.0
145.10156	4.5
147.08032	4.5
147.11708	3.1
149.09555	1.9
149.21706	1.7
150.13551	2.2
153.09074	4.3
157.10129	2.6
159.11726	2.2
161.09589	3.5
163.11194	2.4
165.09099	3.2
169.10117	2.3
171.11676	1.7
175.11194	2.3
187.83673	1.6
203.12828	8.6
217.04192	2.1
223.13229	10.7
262.22421	3.8
267.10312	2.5
273.18466	9.7
291.19556	100.0
305.21115	26.0
306.25009	2.2
323.22278	4.6
323.27774	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01876	2.8
56.36422	0.3
56.96582	0.7
57.03441	3.0
59.05024	0.4
61.02927	1.2
69.03432	15.3
70.00067	1.2
70.06595	0.7
71.01365	0.8
71.05002	4.9
73.02914	1.0
75.04476	0.5
81.03423	16.7
81.07064	0.5
84.08162	0.4
85.02899	0.8
87.04466	0.4
91.05493	1.0
91.44215	0.3
97.02930	0.5
98.21475	0.4
98.97596	1.7
99.04464	6.4
108.08117	0.4
116.04973	0.9
116.98629	0.6
117.05527	1.3
118.06543	5.6
120.08071	0.4
127.03916	0.5
133.02831	0.5
137.06015	0.6
143.78967	0.3
145.07623	8.3
145.08788	0.4
147.09174	10.2
148.06219	0.5
153.01849	0.7
161.07101	0.3
162.07852	1.0
163.03903	1.4
163.08664	1.2
173.07120	13.1
175.08693	6.5
189.10251	0.4
190.07445	0.5
191.08162	100.0
192.08472	1.0
203.08218	0.4
205.06461	0.3
205.09764	0.6
213.10240	0.6
215.08321	0.4
215.11804	0.5
219.01927	0.3
231.11353	0.4
233.09193	1.3
245.09290	0.4
271.10699	0.5
281.14972	0.9
289.11786	1.4
307.12888	29.9
325.10379	0.7
325.13910	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	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15002	0.4
53.03948	1.8
55.01871	2.1
56.96564	0.7
57.03448	2.4
59.93992	0.4
61.02928	0.8
69.03436	15.4
70.12897	1.2
71.01354	1.5
71.04998	4.6
73.02924	0.6
73.08187	0.4
81.03429	17.8
85.02943	1.0
91.05491	1.2
95.04991	0.6
98.21411	0.7
98.97580	1.4
99.04473	5.3
116.04969	0.5
117.05512	1.9
117.61734	0.5
118.06546	5.1
132.10210	0.5
137.05991	0.8
144.78542	0.5
145.07626	7.7
147.09175	8.5
162.07956	0.6
163.08693	1.1
173.05693	0.8
173.07127	10.9
175.08699	6.3
175.11096	0.6
190.52196	0.5
191.08176	100.0
192.08600	0.6
201.05629	0.6
225.36539	0.5
233.09212	1.3
271.11050	0.5
289.11795	1.2
307.12906	28.1
325.10132	1.1
325.13937	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1437
Annotation	Glabridin
Peak:m/z	Relative Intensity
55.01857	1.1
55.05487	1.6
56.96544	4.7
57.03413	1.9
61.02900	1.3
65.03916	1.3
67.05485	2.2
69.03407	3.4
69.07051	1.8
70.06563	1.7
71.55867	1.0
79.05465	3.0
81.03403	2.1
81.07031	2.2
83.04981	1.5
84.71045	0.9
85.02909	5.8
91.05500	8.4
93.07031	2.3
94.04159	3.2
95.04942	2.0
95.08612	1.9
97.02865	1.9
97.06516	2.1
98.97599	6.1
103.05476	7.7
104.06236	1.5
105.03413	1.3
105.06987	4.0
107.04934	3.1
107.08564	1.4
109.06468	1.8
109.10128	1.8
115.05469	9.9
116.98571	2.2
117.07037	8.7
119.08591	9.4
121.06467	2.1
121.10159	1.5
122.03659	9.6
127.03863	1.1
128.06151	4.2
129.07016	7.8
130.06473	2.6
131.04958	14.3
132.05717	7.3
133.02832	1.9
133.06479	1.2
135.08080	1.4
137.05992	82.1
141.06998	12.9
143.00093	1.4
143.08490	1.8
145.06380	3.3
145.07545	1.0
146.03581	1.3
146.07126	1.1
147.04372	1.3
147.08063	28.7
157.06493	2.6
159.07980	1.3
160.05228	6.3
161.06004	6.3
163.03827	4.5
163.07565	16.0
165.06982	1.2
169.06491	20.4
170.07224	2.3
173.05942	1.5
173.09787	1.2
175.07562	100.0
177.06955	1.4
179.08507	1.3
186.06676	3.5
187.07401	3.9
188.08200	1.4
189.09122	9.3
190.07747	1.3
193.08505	1.6
194.07239	1.8
195.02823	2.1
198.01773	1.9
201.05417	2.2
201.09183	11.1
205.06303	2.1
205.10133	1.6
207.02597	2.3
213.02296	2.4
218.07240	1.5
219.08058	1.3
221.05754	1.1
222.06725	1.4
230.24901	1.1
233.05875	2.2
233.09697	5.2
234.06644	1.2
235.07527	1.7
237.02727	1.2
237.09059	2.8
247.07339	1.2
250.06239	1.3
250.09750	1.2
253.08556	1.7
258.03711	2.8
261.08887	4.3
263.06845	1.2
264.07874	1.3
265.08408	4.5
265.12000	3.1
266.91168	1.3
278.08914	1.9
279.10071	1.6
293.07886	3.3
293.11401	6.5
297.10995	1.2
301.06686	2.0
302.07297	2.2
307.09311	3.4
307.12625	1.3
325.06949	2.0
325.10590	7.8
325.14151	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05505	4.4
56.96559	4.2
57.03437	10.6
59.05003	1.7
63.37589	1.4
67.05478	1.6
68.25501	1.6
69.03438	7.2
69.07080	1.6
69.83928	1.6
70.06593	7.0
71.04975	4.4
71.08641	9.0
71.16925	2.1
72.08170	1.8
79.05496	6.8
81.03423	4.4
81.07060	27.9
83.04965	3.2
84.04510	6.2
84.08147	8.6
85.02906	26.5
85.06551	4.5
86.09699	2.8
91.05475	5.5
93.07043	2.2
94.06564	2.9
97.02883	8.8
98.97583	5.1
99.04422	1.8
99.08098	22.9
103.05492	1.6
105.03392	5.3
107.05019	1.7
109.02896	3.6
109.06522	25.7
109.10044	1.8
116.98650	1.8
117.09138	100.0
120.08083	3.5
122.06013	7.5
124.07572	2.9
127.03912	6.5
127.07558	55.5
132.08047	3.0
133.02821	2.2
135.04453	2.9
136.07570	1.7
137.05995	2.4
145.04982	5.0
145.06581	1.8
149.05946	1.5
150.05473	2.4
151.03864	3.6
158.99683	2.1
163.03941	19.1
163.09671	8.2
168.06552	11.4
191.05583	1.7
196.05986	3.1
201.05362	2.3
207.06508	2.3
237.02773	2.5
261.07602	1.8
279.13513	2.5
325.13751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05505	4.4
56.96559	4.2
57.03437	10.6
59.05003	1.7
63.37589	1.4
67.05478	1.6
68.25501	1.6
69.03438	7.2
69.07080	1.6
69.83928	1.6
70.06593	7.0
71.04975	4.4
71.08641	9.0
71.16925	2.1
72.08170	1.8
79.05496	6.8
81.03423	4.4
81.07060	27.9
83.04965	3.2
84.04510	6.2
84.08147	8.6
85.02906	26.5
85.06551	4.5
86.09699	2.8
91.05475	5.5
93.07043	2.2
94.06564	2.9
97.02883	8.8
98.97583	5.1
99.04422	1.8
99.08098	22.9
103.05492	1.6
105.03392	5.3
107.05019	1.7
109.02896	3.6
109.06522	25.7
109.10044	1.8
116.98650	1.8
117.09138	100.0
120.08083	3.5
122.06013	7.5
124.07572	2.9
127.03912	6.5
127.07558	55.5
132.08047	3.0
133.02821	2.2
135.04453	2.9
136.07570	1.7
137.05995	2.4
145.04982	5.0
145.06581	1.8
149.05946	1.5
150.05473	2.4
151.03864	3.6
158.99683	2.1
163.03941	19.1
163.09671	8.2
168.06552	11.4
191.05583	1.7
196.05986	3.1
201.05362	2.3
207.06508	2.3
237.02773	2.5
261.07602	1.8
279.13513	2.5
325.13751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01870	0.8
55.05510	3.9
56.85018	0.7
56.96559	1.7
57.07077	1.9
65.03927	0.7
66.66646	0.6
67.05507	7.6
69.03433	2.6
69.07066	4.9
69.76549	3.8
70.06618	0.8
71.05004	2.0
79.05477	3.4
81.03442	1.5
81.07063	11.4
83.04982	2.1
83.08623	2.1
85.02893	1.7
85.06535	1.2
88.42218	0.6
91.05461	3.4
93.07047	4.6
95.04972	1.8
95.08610	8.0
97.02924	0.9
97.06569	4.1
97.10159	1.1
98.97603	1.3
99.04509	0.9
103.05464	0.7
105.07059	2.7
107.04981	1.1
107.08609	3.0
109.06552	1.7
109.10160	9.5
110.48521	0.6
111.04478	0.8
115.05444	0.7
117.03362	0.9
117.07079	0.8
119.08572	1.5
121.02920	1.5
121.06544	0.9
121.09115	0.6
121.10124	3.3
123.04459	0.9
123.08047	0.7
123.11711	6.8
123.21761	0.7
125.09691	1.2
127.03948	1.2
128.06190	0.8
129.07037	1.1
131.04967	1.3
131.08583	0.8
133.02881	3.1
133.10162	1.1
135.04436	1.2
135.08031	1.0
135.11720	1.9
137.05994	5.5
145.06543	0.9
145.10161	0.7
147.08034	1.6
149.13327	1.4
151.03954	1.3
155.08595	1.0
157.86162	0.7
161.06065	1.1
163.03911	5.8
163.07558	1.1
165.06929	1.1
169.06512	1.0
175.07594	2.7
177.07002	1.0
178.07852	0.8
179.08556	0.9
180.13832	0.7
181.06590	1.3
181.10112	0.8
183.08241	0.8
191.08647	0.9
193.37384	0.7
194.07297	0.9
195.08211	0.9
201.05539	1.4
201.09129	1.3
205.06544	2.7
211.07666	1.0
212.06062	0.7
213.05650	0.8
213.09137	0.9
219.08200	1.3
221.05995	1.1
222.06895	1.8
223.07645	1.1
225.09297	0.9
227.06831	0.6
233.06059	1.5
234.06516	0.8
237.05321	0.8
237.09212	2.1
239.07152	1.3
247.07626	1.4
249.09123	1.1
250.06508	1.6
251.07373	1.0
251.10660	0.9
253.08711	1.4
253.12387	1.0
264.08008	1.5
265.08667	4.3
265.12164	1.3
269.12231	2.0
278.05792	1.0
279.06870	0.8
279.10315	0.8
281.11905	1.0
289.25110	0.8
292.07443	1.8
293.08197	3.9
293.11456	1.3
297.07932	1.0
297.11429	1.8
297.15152	1.0
297.19202	1.1
303.54514	0.7
307.09708	3.8
307.12878	0.8
310.08215	0.8
325.07108	2.1
325.10696	8.0
325.16345	100.0
325.27261	1.5
326.16638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.5
56.96584	1.0
57.03440	0.9
63.14393	0.8
67.05512	1.6
69.03431	1.7
69.07070	2.0
70.06597	1.2
71.05011	0.8
71.55782	0.7
79.05502	1.9
81.03422	1.4
81.07063	2.6
81.66556	0.7
83.04991	0.8
85.02941	1.1
91.05502	1.4
93.07043	1.5
95.08628	1.9
97.06559	2.4
98.97587	1.3
105.07069	1.0
107.08596	1.1
109.06596	0.7
109.10167	1.5
119.08543	1.1
121.10143	0.8
127.03909	0.8
133.02925	1.3
135.04494	0.8
135.08025	0.9
137.06041	2.2
147.11650	0.9
163.03880	4.1
165.07033	1.0
201.05568	1.2
205.06566	1.9
233.06136	0.9
233.09738	0.8
237.09029	1.3
250.06308	1.2
253.12390	1.1
264.08090	1.2
265.08743	2.1
269.12354	2.2
293.08264	2.0
293.11472	0.7
297.15033	1.2
307.09805	1.4
307.15253	1.7
310.08353	0.9
325.07410	1.9
325.16330	100.0
326.16812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2165
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03947	3.9
55.01873	5.3
55.05503	6.1
56.96577	3.6
57.03451	3.8
57.07072	4.6
59.04989	2.8
65.03922	2.7
67.05513	16.4
67.45586	2.0
69.03428	8.7
69.07076	11.6
69.79966	9.1
69.80378	4.2
71.04974	2.4
79.05511	18.3
79.60195	2.1
81.03413	3.0
81.07064	19.7
83.04996	10.8
83.08608	3.6
85.06580	3.3
91.05491	27.7
93.07056	32.1
95.04980	75.8
95.08603	13.7
97.06538	13.4
103.05492	3.7
105.04455	2.7
105.07041	37.8
107.04965	5.0
107.08607	22.7
107.14571	2.0
109.06559	14.9
109.10173	17.0
115.05459	4.4
116.13899	2.1
117.07032	9.7
117.11808	2.2
119.04939	2.4
119.08599	33.9
121.06553	11.2
121.10140	12.4
123.08051	2.6
128.06216	10.4
129.07043	11.1
131.08597	15.1
133.06516	3.4
133.10150	18.6
135.08084	13.0
135.11713	6.4
137.05975	5.7
139.11169	2.7
141.07028	6.1
142.07758	14.9
143.08586	25.0
144.09378	7.3
145.06537	4.6
145.10135	43.6
147.08051	7.4
149.02357	2.7
149.09599	6.6
153.07018	4.9
155.08583	9.7
156.09412	12.7
157.10162	29.3
158.07278	2.9
159.08063	8.7
159.11690	20.0
161.09627	12.8
161.13277	2.7
163.11191	4.0
165.07045	3.2
166.07820	5.0
167.08585	9.7
168.09402	4.2
169.10141	17.9
170.10918	4.4
171.08090	2.9
171.11714	26.5
173.09662	13.9
173.13281	5.3
174.10356	2.3
175.11198	4.3
179.08586	8.2
180.09338	5.4
181.10161	14.2
181.12244	2.3
182.10942	7.0
183.11743	16.1
184.12608	3.3
185.09644	8.5
185.13326	8.0
187.11279	12.1
187.14888	6.6
189.12752	5.3
191.08679	2.8
192.09343	5.2
193.05038	3.5
193.10170	15.8
194.10936	5.7
195.08075	2.7
195.11711	18.9
197.13319	12.3
199.11246	7.2
199.14880	5.7
201.12791	3.6
203.14378	7.8
205.15921	4.3
206.10954	5.5
207.11725	11.3
208.12505	8.1
209.13269	14.3
211.11334	2.9
211.14812	2.8
213.12762	4.0
213.16428	3.4
215.10684	2.3
215.14400	3.0
219.11725	4.0
221.13364	5.8
223.14799	15.1
225.12784	7.1
225.16399	9.0
233.13336	5.9
234.13937	2.9
235.14828	2.8
237.12798	3.3
237.16379	3.8
239.17943	4.1
241.15883	6.1
245.15601	2.7
249.16446	6.3
251.14366	10.3
255.17601	4.0
263.18036	4.0
265.15991	2.8
265.19467	2.5
267.17520	9.3
269.15518	11.9
279.21069	4.3
307.20691	14.8
325.07068	4.4
325.21683	100.0
325.26044	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	325.2376
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03939	1.8
55.01873	3.2
55.05510	14.4
57.03425	2.2
57.07064	5.6
57.07304	1.3
62.73864	1.3
67.05505	18.0
69.03432	4.2
69.06723	2.0
69.07072	19.7
71.04993	3.4
71.08636	20.3
71.21914	1.4
71.55547	2.3
79.05497	13.8
81.07063	26.9
83.04984	4.0
83.08621	7.9
85.06550	3.5
91.05486	10.3
93.07053	19.7
95.04979	12.7
95.08617	22.1
97.02883	1.6
97.06537	7.5
97.10179	3.9
99.04430	1.8
99.08106	17.9
103.05464	1.3
105.07044	13.2
107.04942	3.6
107.08611	14.8
109.06523	28.2
109.10172	8.9
111.04438	3.0
111.08103	3.9
113.06056	1.7
117.07022	4.2
119.08569	11.0
121.06506	9.8
121.10133	8.5
123.08073	3.5
123.11683	3.8
125.05925	1.7
125.09639	2.3
131.08632	7.4
133.10124	4.9
135.08060	7.8
135.11684	3.2
136.69334	1.4
137.09627	3.2
137.13249	2.0
139.11194	5.1
143.08560	1.6
145.09044	1.5
145.10146	5.0
147.08096	1.7
147.11697	4.9
149.09616	4.4
149.13269	3.2
157.10097	2.6
159.11702	4.0
161.09587	1.7
161.13208	4.9
163.11195	6.8
165.12773	49.1
169.10161	1.8
171.11700	2.1
173.13275	3.8
175.14896	2.6
177.12738	5.4
181.15891	15.5
185.09688	1.4
191.14333	3.8
193.04977	1.4
197.09732	1.4
198.91806	1.5
201.12819	1.9
209.15425	3.7
223.13339	3.3
251.16467	4.7
251.23833	1.8
261.22174	21.6
271.20648	4.1
275.20142	3.2
279.23251	5.4
289.21643	45.0
293.21048	3.4
307.22699	100.0
308.23093	1.9
325.06943	3.1
325.21274	2.9
325.26016	4.1
338.99133	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	326.0873
Annotation	Pancratistatin
Peak:m/z	Relative Intensity
55.01858	1.4
56.96560	2.1
57.03446	1.6
65.03934	4.0
65.39951	0.8
67.05492	1.4
69.03416	2.4
69.42857	6.4
70.06596	14.0
72.08144	1.3
80.05035	1.2
81.03423	1.1
83.01316	1.7
84.02142	1.7
84.04490	1.9
84.08150	1.1
85.02906	3.8
86.09701	2.2
90.03445	5.8
90.49187	0.9
91.05468	1.7
92.04988	1.7
93.03424	1.2
94.02888	1.0
95.04966	4.5
96.04514	0.9
97.02886	5.2
98.06066	1.0
98.97584	1.8
98.98471	53.1
105.03397	1.4
107.03703	3.1
107.04909	0.9
108.04518	2.1
109.02895	1.9
110.03659	2.3
110.07186	1.6
112.03963	1.0
116.07105	1.4
116.99485	1.3
118.02903	6.0
118.06519	1.1
120.04454	3.4
121.02888	2.2
121.06446	1.3
122.02389	1.8
122.06036	1.7
123.04473	1.6
124.05159	1.3
125.06012	9.2
133.01614	1.9
133.56671	1.0
134.06058	1.4
135.03171	11.9
135.04242	1.8
136.03969	6.3
136.06219	1.2
137.04701	3.5
139.03819	1.1
140.07062	3.3
146.05994	1.9
146.96909	0.8
148.03917	2.9
150.01854	1.4
150.05513	16.0
151.03946	1.4
151.06203	1.1
152.07065	4.6
153.05502	1.6
162.05490	2.2
163.02603	2.5
163.03893	1.9
163.06305	1.8
164.07034	0.9
165.04237	4.6
168.06551	6.0
171.06374	0.9
174.99220	5.7
176.07114	2.0
178.05005	76.4
179.05740	2.6
180.06572	10.6
182.08151	3.2
183.14819	2.1
190.04932	1.1
196.06117	1.4
204.06480	0.9
206.04515	1.0
206.08156	3.2
208.04071	1.5
208.06058	28.3
208.09367	1.2
209.03195	2.4
210.03943	1.2
211.14378	2.5
213.12302	4.2
213.53296	0.9
224.05513	2.0
234.03957	3.4
234.07642	4.7
236.05637	5.1
236.09119	5.3
250.99736	1.0
252.05048	100.0
262.07144	11.9
264.08771	2.4
266.06638	1.0
270.06161	1.1
278.06601	8.0
279.47781	1.0
280.08203	3.4
290.06595	4.2
308.07660	13.4
326.08719	89.3
343.43842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01871	3.6
55.05515	30.2
57.03422	2.3
57.07078	18.7
64.07500	1.7
65.03955	1.9
67.05512	37.2
69.03421	4.5
69.07073	28.1
70.02946	3.6
70.20038	5.7
71.05024	4.0
71.08630	9.4
72.04529	3.8
73.94241	2.0
79.05504	15.2
80.05025	4.5
81.03426	66.9
81.07063	32.2
83.04988	6.6
83.08636	21.3
84.04491	4.4
85.10182	2.6
86.61642	1.9
91.05498	22.3
93.07061	13.7
95.04984	33.3
95.08614	23.9
97.06543	4.2
97.10166	10.7
98.06032	1.9
98.98473	87.4
105.07040	11.3
107.08595	7.9
109.06522	7.3
109.10166	6.3
111.11706	2.8
119.08581	15.0
121.10162	11.9
123.08089	9.6
123.11720	3.5
133.10130	14.4
135.11694	4.4
137.09619	10.4
147.11632	8.6
149.13310	2.2
161.13240	3.4
163.14955	1.9
169.32887	1.8
169.34224	2.3
171.44931	2.0
174.99225	7.1
175.14954	1.7
197.30910	1.8
219.20914	1.7
224.29494	1.9
244.79625	1.7
245.22540	10.5
263.23727	100.0
280.26340	3.0
281.24847	2.3
308.25903	8.0
326.26968	12.1
326.30457	2.5
326.37769	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	327.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
56.96561	2.4
57.03444	2.3
67.99882	1.8
69.03418	3.3
70.02932	4.1
70.06580	6.6
70.09866	4.7
73.02901	2.0
82.01444	3.5
82.99870	2.1
84.02988	4.1
84.04528	2.3
91.23840	1.3
91.37574	1.4
96.08154	1.9
97.01328	1.4
97.02895	2.2
98.04572	3.2
98.20779	1.5
98.97586	2.7
98.98463	17.4
100.02473	8.2
101.00890	16.8
102.04037	6.3
108.02982	2.3
108.08121	2.3
110.04526	5.7
112.02478	3.1
112.06052	1.9
113.00909	9.8
114.04026	4.7
115.02468	3.0
116.05603	11.5
118.03564	7.6
119.01931	14.7
123.04101	2.4
124.02465	6.5
126.03088	2.0
126.04025	39.0
127.07172	7.6
128.05591	13.5
130.03522	3.3
130.07146	4.2
131.01912	15.2
132.05052	4.6
133.03413	2.2
134.06635	4.0
135.00395	1.5
136.04614	2.0
137.02956	1.6
137.10732	4.2
141.05104	6.7
142.03535	18.5
143.01912	4.3
144.05072	58.4
145.08170	3.4
146.06618	5.4
148.08170	3.7
149.03033	1.7
150.06171	1.4
151.97337	1.6
152.05569	4.3
153.01468	4.9
154.07118	4.7
155.01920	7.0
155.10289	5.8
156.05055	6.0
157.03465	8.9
158.06567	1.6
159.06172	3.0
160.04576	11.1
161.02963	5.8
162.06140	1.8
166.07208	3.4
167.01892	2.8
167.10313	2.6
168.08641	1.5
169.11842	2.5
170.06578	7.4
171.02542	30.2
172.08206	22.6
173.02988	13.6
173.11388	2.6
174.06111	1.8
175.04533	2.9
177.08675	3.8
179.08865	2.6
179.10326	35.7
182.06659	3.2
184.04559	5.8
184.08195	3.6
185.02936	9.8
186.06151	1.8
186.09758	6.8
187.05693	3.0
189.03581	54.7
190.03761	1.8
190.09251	9.7
191.04147	1.7
191.06686	1.8
193.08247	4.0
195.02562	6.5
195.09790	28.0
197.11377	42.0
198.09758	2.1
200.07744	6.6
207.02466	5.1
211.09309	2.3
213.03590	46.2
213.05641	2.4
213.09016	2.8
213.10860	27.9
215.04010	3.5
215.12440	16.3
223.09372	5.5
225.03601	19.8
226.03745	1.4
227.05139	2.7
231.04659	23.8
233.05077	13.8
234.16464	1.4
237.03670	6.5
239.05348	1.6
239.08871	1.9
241.10352	78.9
242.10611	2.8
243.04619	4.0
249.07034	2.1
255.04607	6.0
259.11417	37.2
264.11975	2.0
267.04694	2.7
267.08170	6.5
283.11139	2.2
285.09326	100.0
303.06854	2.5
303.10336	9.8
325.67862	1.7
327.06793	35.4
327.10339	5.3
345.07861	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.2
55.01853	2.9
55.05517	14.5
57.03424	4.2
57.07074	6.6
61.38509	2.4
65.03949	3.4
65.56188	3.5
67.05505	30.7
69.07071	16.0
71.04971	4.1
79.05502	21.6
81.03418	3.7
81.07064	28.3
83.08653	4.5
91.05484	38.3
93.07050	67.3
95.04978	62.1
95.08610	49.8
97.06530	18.4
98.21555	4.4
98.98474	100.0
103.05438	3.7
105.04539	2.9
105.07032	63.0
107.08599	38.4
109.06502	13.0
109.10159	19.2
117.07011	15.7
117.42335	2.8
119.08581	58.1
121.06542	15.6
121.10152	33.4
123.08083	8.6
123.11679	6.4
128.06134	4.8
129.06996	9.5
130.07780	5.4
131.08580	29.6
133.10130	47.6
135.08060	8.0
135.11667	9.6
142.07761	11.8
143.08565	22.0
144.09343	7.9
145.06367	3.4
145.10126	40.2
147.11667	12.6
149.09648	5.3
149.13229	3.6
152.06168	9.3
153.06993	6.7
155.08488	7.0
156.09326	4.3
157.10150	28.4
158.10927	3.2
159.08051	5.0
159.11684	37.4
161.09607	13.7
161.13153	3.3
163.11232	2.9
169.10167	14.9
171.11676	18.1
173.09607	3.3
173.13257	16.6
174.99211	11.2
175.14815	16.8
181.10168	4.5
183.11696	10.8
185.13281	9.9
187.11194	6.3
187.14807	14.9
189.16238	3.1
193.10226	4.3
195.11726	5.3
197.13203	11.7
199.14752	9.0
201.16345	4.2
205.10031	3.4
209.13281	6.7
211.14825	7.4
213.16380	3.4
217.15933	3.6
223.14757	3.6
225.16364	4.1
227.14333	4.1
229.15936	4.6
233.03738	9.1
243.17633	2.8
249.16353	3.8
251.04674	5.9
265.19791	3.2
281.22513	3.5
291.21201	3.9
296.41727	2.9
309.22086	6.2
327.07867	34.9
327.23184	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01873	2.9
55.05512	6.9
57.07071	5.9
59.05015	2.6
61.28164	1.5
65.03976	2.0
67.05509	20.0
69.03439	1.6
69.07081	8.9
70.64496	1.5
76.10093	1.7
77.03908	1.7
79.05506	14.8
81.03434	2.4
81.07069	18.1
83.08656	2.2
85.06555	3.1
91.05493	23.8
93.07053	44.9
95.04977	49.7
95.08619	33.4
97.06537	9.1
98.98478	100.0
103.05497	3.8
105.07046	38.7
107.04964	2.5
107.08612	22.1
109.06513	8.1
109.10201	14.9
116.99512	2.7
117.07048	10.8
119.08592	42.0
121.06516	9.5
121.10147	18.9
123.08090	6.7
123.11733	4.2
128.06253	4.5
129.07001	5.4
130.07787	4.0
131.08580	18.4
133.10150	27.7
135.08072	5.3
135.11688	8.2
137.09644	4.6
141.07024	2.9
142.07790	5.8
143.08577	9.8
144.09363	3.0
145.10130	24.5
147.08127	3.1
147.11697	9.2
149.09647	2.9
155.08580	5.6
156.09361	5.7
157.10149	22.0
158.10966	2.3
159.08104	3.5
159.11719	26.6
161.09636	8.6
161.13257	3.1
169.10121	10.2
171.11716	11.9
173.09592	2.2
173.13284	10.7
174.99236	11.9
175.14896	9.9
179.08614	2.9
181.10165	3.9
182.11035	3.6
183.11662	7.9
185.13303	6.6
187.11185	3.0
187.14792	8.7
189.16469	2.0
190.95549	1.7
193.10208	2.4
195.11790	4.1
196.12405	2.2
197.13322	7.9
199.14845	5.0
201.16368	3.5
207.11725	3.0
209.13316	5.4
211.14839	6.3
213.16490	3.0
215.14240	2.5
217.15829	4.0
221.13249	2.9
225.16479	2.6
227.14362	2.3
235.14879	2.8
239.18147	2.6
253.19601	2.0
271.20734	2.1
291.21143	1.8
309.22165	5.2
327.23166	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	328.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
53.19087	0.8
54.04233	0.8
54.84487	0.9
55.05499	2.0
56.96565	1.8
57.03424	2.4
59.05004	17.2
65.03941	2.5
67.05504	1.2
69.03411	2.3
69.07070	1.4
69.25941	5.6
69.26346	2.4
70.06592	10.0
71.04938	0.9
72.08152	9.0
73.06557	51.4
74.06059	1.4
79.05511	1.1
81.03392	1.1
81.07049	1.6
83.04963	1.3
84.04497	2.0
84.08126	1.3
85.02899	9.7
86.09715	15.7
87.02692	1.0
87.04539	0.8
91.03952	1.0
91.05452	1.2
92.67326	0.7
95.04964	1.0
97.02885	2.6
98.98470	100.0
105.06960	1.2
105.16700	0.8
110.03633	2.0
110.07172	1.3
110.97490	0.8
111.04410	1.2
116.07088	11.4
116.98699	1.3
116.99503	3.0
117.09113	3.6
117.51123	0.8
120.08083	1.4
122.02753	0.9
124.03924	1.6
127.03915	1.9
129.10312	1.0
130.05014	1.3
131.10707	4.5
133.03133	3.2
137.05949	0.9
138.05525	0.9
142.02582	1.2
145.04951	1.2
149.11732	21.4
171.06487	1.2
172.94382	1.6
174.99216	7.9
175.99547	1.9
176.98943	2.6
181.04962	41.0
185.16531	5.5
190.08665	1.0
190.95334	1.6
205.05261	1.0
213.16010	3.0
215.14023	0.9
221.00516	0.9
232.96484	1.9
237.02773	1.1
281.82220	0.8
328.15237	2.0
340.40466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47816	1.6
54.42760	1.6
55.01867	2.8
55.05273	1.8
55.05520	34.5
56.96557	3.8
57.50842	1.6
59.04999	1.8
63.53601	1.5
67.05505	12.1
69.03426	4.8
69.07084	12.0
69.40544	7.1
69.40980	6.3
79.05504	20.6
81.07073	11.9
83.04977	4.1
83.08636	21.3
84.98032	1.8
91.05474	7.5
92.49183	1.8
93.07045	7.8
95.04956	2.0
95.08614	8.2
97.06538	4.0
97.09559	2.7
97.10180	42.9
98.98479	100.0
105.07040	10.2
107.08611	50.6
109.10146	4.1
116.99496	4.1
119.08607	4.7
121.10189	1.9
125.09650	38.5
130.93311	6.1
131.08545	2.7
133.10144	4.0
135.08043	2.5
143.10767	2.3
145.10153	5.5
147.11694	3.4
149.09604	4.0
159.11713	2.1
171.10146	5.4
172.94337	15.1
174.99216	4.8
189.11223	53.1
190.95464	15.6
208.96501	4.6
214.95413	3.9
232.96428	18.5
250.97563	9.1
257.19022	6.0
259.70261	1.6
262.93900	5.2
275.20108	36.3
280.94971	2.5
284.16055	1.7
293.21194	2.6
322.57251	2.1
329.10339	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	328.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01855	1.2
55.05519	9.5
56.96575	9.0
57.03434	2.8
61.24762	0.8
65.03945	1.3
67.05186	1.0
67.05521	16.5
69.03432	2.3
69.07084	6.6
71.04990	2.2
71.55196	1.5
72.81942	1.0
77.13438	1.1
79.05502	14.5
81.03424	2.4
81.07057	10.4
83.04992	2.9
83.08655	5.3
85.02915	1.3
91.05493	10.0
93.07052	14.5
95.04982	5.4
95.08627	11.8
97.06555	2.4
97.10194	4.8
98.97514	2.6
98.98478	100.0
105.07047	6.4
107.08604	6.9
109.06528	1.0
109.10155	8.0
111.08096	2.2
116.10772	2.2
116.98668	1.3
116.99515	1.1
117.07067	1.3
119.08637	4.8
121.06492	1.1
121.10156	5.2
123.11728	1.1
125.09662	4.4
130.93312	3.7
131.08578	2.6
133.10133	3.5
135.11736	2.1
137.09615	2.7
139.11191	2.8
143.00195	2.6
145.10104	1.5
147.11717	2.2
155.10722	2.0
159.11696	1.5
161.01237	2.2
161.13249	1.7
163.03931	3.1
172.94357	13.1
173.11746	5.4
174.99268	8.9
175.99570	1.7
176.98961	2.2
188.06140	1.0
189.00810	2.1
189.11272	3.7
190.95419	16.1
208.96510	4.8
214.95378	3.1
228.74335	1.0
229.07561	1.4
231.01733	1.2
232.96486	19.2
237.00732	1.5
249.02922	2.3
250.97571	7.7
252.99796	1.1
255.09279	1.2
255.98068	2.1
257.07693	1.3
262.12488	1.1
262.93875	2.7
267.04016	1.5
273.10162	1.7
275.08636	1.7
275.19998	5.4
280.94995	3.2
283.08704	1.1
293.20984	1.2
301.14325	4.0
328.08743	1.3
328.25052	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.1
57.41181	2.0
67.05177	3.0
67.05511	33.3
69.03447	3.5
69.07076	8.9
71.04974	2.1
71.34135	2.8
79.05492	24.6
79.44770	2.1
81.03419	5.3
81.07063	16.1
83.04971	2.9
83.08629	8.7
89.34952	1.8
91.05480	15.8
93.07037	16.5
95.04974	9.6
95.08626	15.4
97.06487	2.6
97.10127	4.1
98.98473	100.0
98.99133	4.8
102.68459	2.1
105.07043	11.3
107.08601	11.9
109.10153	18.8
117.07026	2.2
119.08605	6.9
121.10136	9.0
125.09638	5.3
129.06979	2.4
131.08578	4.9
133.10158	8.6
135.11664	2.9
137.09587	8.0
145.10156	4.3
146.31236	2.1
147.11694	2.9
155.10666	4.6
159.11722	2.2
172.94427	5.3
173.11758	6.3
173.13210	2.3
174.99203	10.0
176.98862	3.3
190.95453	2.8
211.13329	2.7
232.96402	5.2
235.17056	2.4
272.59747	2.1
275.20157	6.3
343.11096	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	330.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
52.01905	0.2
53.03950	0.2
55.01855	0.3
55.61064	0.2
56.96568	0.2
65.87811	0.1
68.84119	0.2
69.03442	0.4
70.06583	0.6
70.58458	0.3
70.58845	0.4
73.02924	0.5
75.04482	0.5
78.03461	8.7
79.04243	0.2
80.05021	3.5
81.17363	0.2
83.01330	0.7
84.08159	0.3
85.02898	0.6
86.09737	0.2
87.04476	1.7
96.04504	2.9
97.02919	0.4
98.98490	2.0
99.04457	0.6
101.02383	0.5
106.02927	30.6
111.00813	0.7
115.03934	1.6
115.61135	0.2
124.03963	100.0
125.04301	0.3
133.04974	0.6
136.06198	7.4
138.05501	0.8
143.03419	1.7
150.05562	0.3
161.04460	0.3
216.98817	0.3
266.06686	0.7
284.07880	0.2
287.34824	0.2
312.07129	3.6
330.08362	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	330.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23131	0.3
70.40320	0.3
70.71294	0.5
70.71629	0.3
73.02948	0.4
75.04488	0.4
78.03465	3.1
80.05025	3.8
83.01354	0.5
87.04484	0.8
96.04516	2.6
98.97594	0.3
98.98479	1.4
106.02930	11.4
111.00836	0.3
115.03952	1.2
124.03967	100.0
125.04282	0.5
129.01936	0.3
133.05025	0.5
138.05518	0.7
143.03391	1.7
153.12178	0.2
161.04478	0.3
266.06635	0.8
312.07153	1.0
330.08228	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	63.7
56.96575	1.1
57.03432	0.7
58.99577	1.1
61.27398	0.7
69.07065	0.9
70.06597	4.4
70.31552	0.6
70.35094	1.7
72.08139	2.5
74.06043	0.8
76.02219	2.4
79.05487	1.4
84.04501	0.9
84.08150	6.2
85.02902	1.9
86.09705	4.7
91.05478	2.4
93.07034	1.8
95.04987	0.9
97.02909	0.8
98.06068	0.8
98.98473	27.9
103.05474	6.9
105.07014	1.6
106.02891	0.8
107.04920	1.6
115.22899	0.7
116.07069	1.7
117.03391	1.1
121.06506	6.8
122.02727	6.8
123.04401	1.2
124.03978	4.7
127.03909	0.9
131.04947	2.8
131.08549	1.3
134.03671	1.2
135.04414	0.7
136.06166	0.8
139.03920	1.2
140.04640	1.5
145.02835	1.2
147.04433	1.3
149.05988	14.5
153.05482	6.5
155.07050	1.8
159.04417	2.2
162.01292	1.0
163.03909	1.9
163.11194	0.6
167.07088	1.6
170.00288	0.8
171.93372	0.8
176.98943	1.5
177.05476	51.0
179.01643	1.1
179.07013	0.8
181.05005	1.1
181.08618	1.5
184.01912	11.0
185.02690	12.8
191.07069	1.1
199.04251	8.9
208.05170	2.0
209.08101	100.0
223.04277	9.7
241.03012	1.4
241.05316	17.2
269.08139	2.0
312.09070	1.0
312.12634	1.6
315.08609	3.9
330.10504	3.5
330.13834	2.0
330.19571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.8
56.96562	1.4
57.03436	4.1
57.07069	3.2
67.05510	14.1
69.03414	1.9
69.07059	3.9
71.55099	2.5
74.06071	5.8
79.05480	3.7
81.07066	8.5
82.13902	1.6
83.05015	3.3
83.05495	1.6
83.08617	2.8
87.04482	8.6
88.07638	2.9
91.05495	3.1
92.01800	1.4
93.07043	6.4
95.04978	1.8
95.08614	4.2
95.37199	1.4
97.06551	1.5
97.10173	1.8
98.98476	100.0
100.98896	1.5
101.05981	1.9
105.07034	3.4
105.70465	1.4
107.08607	2.7
109.10167	11.8
116.05009	1.3
119.08578	3.8
121.10182	2.9
123.11702	2.5
127.03938	2.7
128.83369	1.4
139.11174	1.5
147.11629	1.5
150.60942	1.5
155.10695	1.7
173.11812	13.1
174.99243	5.7
175.99651	1.5
176.98961	5.4
268.30148	1.7
270.27942	3.4
285.10095	1.8
295.22363	1.8
330.07205	2.1
330.10791	2.8
330.29980	9.5
330.33710	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07956	1.1
55.01874	2.6
55.02154	1.0
55.05269	1.6
55.05518	24.7
56.96565	4.2
57.07069	1.8
67.05504	11.7
69.03423	4.6
69.07059	5.3
71.08633	5.4
71.55764	2.2
79.05503	7.3
81.03397	2.2
81.07066	9.6
83.04969	2.1
83.08617	17.1
87.04462	1.8
88.27174	1.1
91.05486	3.4
93.07043	6.1
93.91673	1.0
95.04971	1.1
95.08606	4.9
97.06523	2.3
97.09556	1.1
97.10178	29.8
98.98474	100.0
99.08084	4.2
100.98912	2.1
105.07014	2.7
107.08609	10.3
109.10164	4.0
109.29457	1.1
111.08077	1.3
116.99513	1.9
119.08604	1.9
121.78604	1.2
125.09641	33.3
131.08519	1.4
133.10136	1.9
135.08058	2.2
135.11732	1.2
137.05966	1.4
147.11768	1.3
151.11186	3.8
153.09093	2.5
161.13261	2.8
171.10158	3.9
171.11604	1.3
174.99184	4.6
176.98979	5.2
179.14308	2.7
189.11232	45.9
189.12929	2.3
208.88493	2.2
229.07520	2.1
247.08589	1.4
253.94914	1.3
259.20593	2.0
277.21619	26.7
295.22672	4.4
330.10580	2.0
330.29926	2.9
330.33594	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	330.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
55.05513	12.4
56.95304	1.6
56.96560	4.1
57.03434	6.5
57.07070	7.4
58.06593	3.1
67.05517	26.5
68.28237	1.8
69.03423	3.1
69.07061	8.7
69.18352	15.6
70.06597	3.0
71.04989	2.4
71.08627	5.4
72.08151	7.4
73.30246	1.7
79.05499	9.7
81.03403	2.8
81.07065	21.4
83.04974	4.1
83.08628	7.9
87.04466	10.4
87.44527	1.5
88.07619	6.8
91.05493	5.1
93.07071	11.1
95.04977	3.9
95.08618	10.1
96.01257	1.7
97.06542	3.2
97.10178	4.6
98.98478	100.0
99.08082	2.1
100.98858	2.3
101.06035	9.2
105.07034	4.3
107.08590	6.4
109.10179	13.2
113.15446	1.9
119.08566	4.7
121.10082	3.5
123.11721	5.2
125.09682	4.5
133.10152	3.3
135.11649	1.9
139.11150	1.9
147.11728	2.3
151.11201	1.8
155.10678	5.0
156.17519	8.0
165.12614	2.5
170.18977	2.9
173.11740	11.1
174.99266	5.2
176.98940	5.4
189.11263	2.8
212.85072	1.8
255.98326	1.9
256.26309	5.1
268.30005	16.6
270.28012	2.3
277.21600	8.4
295.22601	5.7
330.10721	2.7
330.29996	18.7
330.33673	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.9
55.05521	31.8
57.03425	13.4
57.07064	7.7
65.60256	5.9
67.05176	7.2
67.05508	100.0
69.07079	31.7
69.78063	30.9
71.04993	7.5
79.05492	33.8
81.03427	9.2
81.07055	79.7
83.04984	18.0
83.08617	24.9
87.04458	7.0
91.05506	19.6
93.07027	37.6
95.04982	16.5
95.08621	38.0
97.06550	7.5
97.10170	12.9
98.98467	64.5
105.07037	23.9
107.08598	21.3
109.10168	39.3
111.08103	12.3
119.08549	17.9
121.10165	13.5
125.09655	13.3
133.10152	13.0
135.11641	8.9
139.11183	16.8
147.11662	11.2
155.10648	19.3
161.13243	7.6
165.12778	9.8
172.13374	13.2
173.11743	34.6
189.11449	6.8
211.13316	8.9
272.61868	6.4
277.21524	34.1
295.22668	18.7
330.30042	9.6
349.16772	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.4
56.96560	1.9
57.07064	3.2
59.82385	1.5
61.02935	1.6
62.50425	1.4
65.91290	1.6
67.05508	13.9
69.03429	1.8
69.07076	7.5
70.06584	1.9
70.94914	1.6
71.08624	5.4
71.55601	3.0
79.05523	7.4
81.03411	4.6
81.07071	10.7
83.04994	3.7
83.08607	2.4
85.02901	1.9
85.10187	3.9
87.04498	3.3
87.50451	1.7
88.07603	3.4
91.05459	5.9
93.07053	8.8
95.04981	3.4
95.08621	14.0
97.06546	2.9
97.10141	2.5
98.98475	100.0
99.08076	3.7
105.07004	4.5
107.08589	5.5
109.10162	4.2
113.09662	2.1
116.03480	1.5
117.07005	1.9
119.08569	3.8
121.10168	7.9
123.08030	1.7
125.09643	3.1
131.08556	2.9
133.10112	2.4
135.11632	2.7
139.11198	2.6
141.12717	1.8
147.11668	4.5
151.11223	2.3
158.94661	1.9
163.11215	1.8
165.12708	2.3
167.10681	2.0
174.99174	4.5
176.98921	5.5
211.57887	1.5
277.21707	7.4
295.22900	3.7
330.10611	4.2
330.29980	6.0
330.33768	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	331.0451
Annotation	Kermesic Acid
Peak:m/z	Relative Intensity
56.96498	0.6
68.99726	0.6
69.56455	0.3
69.64268	2.6
70.06525	0.4
70.18039	0.3
81.06973	0.4
86.09637	0.6
92.85867	0.4
95.08530	0.4
97.06439	0.8
98.98473	12.6
98.99033	0.8
105.03307	0.7
111.22569	0.3
119.04906	0.4
127.03806	0.6
131.04871	0.6
133.02736	1.2
137.05855	0.5
153.01866	2.0
155.04829	0.5
161.05930	0.4
163.03830	0.5
171.04269	0.5
173.02325	3.0
173.05771	0.5
174.99139	0.5
176.98912	0.9
177.02826	0.5
183.04291	0.5
183.08046	0.4
187.03841	0.6
201.05446	0.6
203.03404	17.3
215.03487	0.5
229.04968	10.0
239.03355	0.4
239.08353	0.4
248.70638	0.4
257.04480	11.9
257.08734	0.5
269.04367	0.6
285.03958	44.6
286.04318	0.7
303.09750	1.1
313.03439	100.0
314.03818	1.7
316.05847	0.5
331.04517	76.5
332.04840	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1289
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
50.31078	0.4
50.44678	0.4
55.01875	4.0
56.95826	0.5
57.03428	0.5
61.62184	0.5
67.05480	0.8
71.04990	0.6
71.25527	0.6
71.46178	1.0
79.05508	0.7
80.05032	0.5
82.06582	0.9
91.05500	2.6
94.06568	1.7
95.04945	1.2
97.69118	0.5
98.98479	6.7
106.06567	2.5
107.04947	1.0
108.04476	4.1
108.08049	0.5
110.06049	1.1
111.58904	0.6
112.07557	0.5
115.64461	0.4
119.04964	2.0
120.08085	1.0
122.03589	0.6
122.06047	3.3
124.07583	0.9
129.07013	1.8
133.07599	0.5
134.06009	2.1
136.03964	3.1
136.07590	0.7
137.06001	5.5
144.08173	0.7
148.07565	1.1
149.06009	0.6
150.05467	1.0
151.07558	6.9
157.06505	0.8
157.08887	0.6
158.09673	0.8
159.09189	0.7
159.67465	0.6
160.07513	0.6
161.05971	1.2
161.07124	2.3
162.05524	6.8
163.06302	0.7
163.07503	1.3
164.07141	2.7
165.07011	0.7
167.08609	0.9
168.06673	1.0
170.08211	1.9
170.09680	1.4
172.07616	0.6
172.11211	0.8
173.10728	1.3
174.57230	0.6
176.07092	2.1
182.08417	0.6
183.09198	0.7
184.07564	1.3
184.11270	1.1
186.07877	1.9
187.08713	3.1
187.12334	1.9
188.10756	0.6
189.06610	7.9
189.09132	2.3
193.06548	0.8
193.10179	0.7
194.08069	0.7
195.08046	2.1
197.10825	0.7
198.09244	1.1
199.08669	1.3
200.09427	1.6
201.06590	0.9
201.10278	5.7
203.08224	2.9
210.06691	0.6
211.08662	2.0
211.12350	1.2
212.07013	0.6
212.10750	1.5
213.10295	1.5
214.07358	1.2
214.10820	0.8
215.08176	12.6
215.11751	5.3
221.06029	0.8
223.07660	0.7
225.10281	0.8
226.08658	1.5
227.08366	0.8
227.10783	1.8
228.08835	1.0
229.06210	0.9
229.09755	11.2
229.13225	2.8
230.10298	0.8
231.11290	1.1
239.08121	1.3
239.11836	2.9
240.10149	1.2
241.09796	2.7
243.07661	2.1
243.11324	5.5
251.08450	0.7
252.08965	1.0
253.09937	1.0
253.12370	1.3
254.10497	0.8
255.10706	1.6
257.09225	10.6
257.12881	7.6
259.10727	1.0
267.11337	3.7
268.09647	0.5
271.10828	6.6
275.13947	3.4
285.12369	10.3
287.12744	2.8
295.10748	4.4
303.13486	3.1
313.11801	19.0
331.12894	100.0
332.13153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
55.01874	2.1
55.05508	2.5
56.96564	4.0
65.03951	2.3
67.05518	2.0
69.03428	3.3
71.04990	1.5
71.15776	1.2
71.16135	3.0
75.90758	1.2
76.32945	1.3
79.05495	4.1
81.03429	1.8
81.07065	3.3
82.43023	1.1
84.08183	1.4
85.02880	2.0
86.09753	1.5
91.04963	2.5
91.05493	31.3
93.07039	1.4
94.04170	4.1
95.04993	7.5
97.02934	1.8
97.06564	1.4
98.98476	100.0
99.04452	1.3
100.98927	2.0
103.05466	4.3
105.07046	5.3
107.04954	8.6
109.06532	4.3
109.10124	1.5
111.04487	2.2
113.28826	1.2
115.05495	2.0
116.99541	2.3
117.03403	1.8
117.07015	2.9
119.04954	18.4
121.06512	6.6
122.03654	8.6
123.65742	1.3
127.03934	3.3
128.06241	6.0
129.07019	15.3
131.04953	6.1
131.08531	1.4
133.06573	2.0
135.04408	2.8
135.08124	6.7
136.05208	3.2
137.05992	81.0
143.04921	1.7
145.06499	4.7
146.03653	2.7
149.06006	19.8
150.06790	1.8
151.03999	3.0
151.07559	91.6
152.06247	5.1
154.07852	1.8
157.06516	11.2
158.07278	1.5
161.06030	14.3
161.09633	3.1
163.03967	7.4
163.07547	20.3
165.07027	14.3
165.09117	5.0
166.07767	2.8
167.07094	6.1
167.08597	15.7
169.06473	2.0
169.10071	1.6
174.06772	7.1
174.99216	4.1
175.07591	4.4
176.98988	6.8
177.05501	6.5
177.06895	1.7
177.09065	2.6
178.07777	7.6
179.07106	2.1
179.08525	2.3
181.04982	3.6
181.06520	6.3
182.07301	5.2
183.08121	2.1
189.09143	33.1
192.09470	2.5
193.06467	7.3
193.10106	7.7
194.07336	2.7
195.08089	25.0
196.08817	2.1
197.06061	5.5
197.09697	2.0
199.07578	2.2
202.07707	2.8
203.08636	2.2
206.07240	2.9
207.10188	3.8
209.06100	1.8
209.09666	4.3
210.06732	8.7
211.07547	6.3
212.08379	5.3
213.09035	1.7
221.06053	8.3
221.09615	12.3
223.07498	11.6
224.08305	4.9
225.05566	2.1
225.09108	10.7
227.07175	3.2
227.10670	31.4
234.06686	1.9
237.09106	3.0
238.06277	4.7
238.09938	1.8
239.07202	2.8
240.07877	2.5
249.09161	7.6
251.08765	2.3
253.08618	13.9
253.12199	13.9
254.09470	2.1
255.10197	31.1
256.03699	2.9
267.10123	6.3
269.08090	4.2
269.11581	1.5
272.10425	4.1
281.11743	5.4
285.08243	1.3
285.11237	17.1
287.12805	39.6
298.12311	1.7
313.11426	1.5
313.14655	8.2
331.08514	8.1
331.12149	3.7
331.19690	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	331.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
55.01874	2.1
55.05508	2.5
56.96564	4.0
65.03951	2.3
67.05518	2.0
69.03428	3.3
71.04990	1.5
71.15776	1.2
71.16135	3.0
75.90758	1.2
76.32945	1.3
79.05495	4.1
81.03429	1.8
81.07065	3.3
82.43023	1.1
84.08183	1.4
85.02880	2.0
86.09753	1.5
91.04963	2.5
91.05493	31.3
93.07039	1.4
94.04170	4.1
95.04993	7.5
97.02934	1.8
97.06564	1.4
98.98476	100.0
99.04452	1.3
100.98927	2.0
103.05466	4.3
105.07046	5.3
107.04954	8.6
109.06532	4.3
109.10124	1.5
111.04487	2.2
113.28826	1.2
115.05495	2.0
116.99541	2.3
117.03403	1.8
117.07015	2.9
119.04954	18.4
121.06512	6.6
122.03654	8.6
123.65742	1.3
127.03934	3.3
128.06241	6.0
129.07019	15.3
131.04953	6.1
131.08531	1.4
133.06573	2.0
135.04408	2.8
135.08124	6.7
136.05208	3.2
137.05992	81.0
143.04921	1.7
145.06499	4.7
146.03653	2.7
149.06006	19.8
150.06790	1.8
151.03999	3.0
151.07559	91.6
152.06247	5.1
154.07852	1.8
157.06516	11.2
158.07278	1.5
161.06030	14.3
161.09633	3.1
163.03967	7.4
163.07547	20.3
165.07027	14.3
165.09117	5.0
166.07767	2.8
167.07094	6.1
167.08597	15.7
169.06473	2.0
169.10071	1.6
174.06772	7.1
174.99216	4.1
175.07591	4.4
176.98988	6.8
177.05501	6.5
177.06895	1.7
177.09065	2.6
178.07777	7.6
179.07106	2.1
179.08525	2.3
181.04982	3.6
181.06520	6.3
182.07301	5.2
183.08121	2.1
189.09143	33.1
192.09470	2.5
193.06467	7.3
193.10106	7.7
194.07336	2.7
195.08089	25.0
196.08817	2.1
197.06061	5.5
197.09697	2.0
199.07578	2.2
202.07707	2.8
203.08636	2.2
206.07240	2.9
207.10188	3.8
209.06100	1.8
209.09666	4.3
210.06732	8.7
211.07547	6.3
212.08379	5.3
213.09035	1.7
221.06053	8.3
221.09615	12.3
223.07498	11.6
224.08305	4.9
225.05566	2.1
225.09108	10.7
227.07175	3.2
227.10670	31.4
234.06686	1.9
237.09106	3.0
238.06277	4.7
238.09938	1.8
239.07202	2.8
240.07877	2.5
249.09161	7.6
251.08765	2.3
253.08618	13.9
253.12199	13.9
254.09470	2.1
255.10197	31.1
256.03699	2.9
267.10123	6.3
269.08090	4.2
269.11581	1.5
272.10425	4.1
281.11743	5.4
285.08243	1.3
285.11237	17.1
287.12805	39.6
298.12311	1.7
313.11426	1.5
313.14655	8.2
331.08514	8.1
331.12149	3.7
331.19690	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	331.2246
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
51.38892	0.6
55.54589	0.6
70.79417	1.9
71.15771	0.6
95.08601	0.9
98.98478	24.8
98.99127	1.3
127.03923	1.6
133.10164	0.7
145.10139	0.9
174.99257	1.0
176.99011	1.6
249.13835	0.7
284.94296	0.6
331.22464	100.0
332.22751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.8
57.03437	5.8
57.07082	100.0
64.21181	1.8
67.05518	22.9
69.07074	17.9
70.06593	7.1
71.00051	3.6
71.08638	65.6
75.04467	2.6
76.55321	2.5
79.05493	3.8
81.07066	35.8
83.08193	2.6
83.08631	22.1
85.09712	3.3
85.10193	40.8
88.07656	10.8
92.31898	1.8
93.07039	2.3
95.08616	54.3
97.10182	11.6
98.98475	50.4
99.11753	2.5
106.08656	4.9
109.10169	24.1
111.11711	5.1
123.11724	12.3
125.13302	3.7
127.03903	4.1
137.13239	5.7
165.16397	2.9
174.99213	1.8
176.98924	3.0
192.00648	2.5
195.04362	1.9
199.88031	2.1
204.16766	1.8
221.22632	3.1
239.23712	17.6
257.24774	6.5
313.27393	55.8
313.33017	4.1
318.08475	2.1
331.34006	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2846
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.25565	0.9
52.03536	1.1
55.05517	12.4
57.03449	8.3
57.07085	100.0
65.95747	1.1
67.05174	1.5
67.05514	24.1
69.06716	1.7
69.07075	19.3
69.95168	5.1
69.95505	1.2
70.06585	3.9
71.08641	68.7
75.04477	3.4
79.05494	2.4
81.07066	36.0
83.08632	25.9
85.06546	1.8
85.10195	36.7
88.07624	5.6
93.07060	2.5
94.96515	1.0
95.08623	50.1
97.09745	0.9
97.10197	12.1
98.21383	2.1
98.98479	42.0
99.11752	2.3
102.09159	1.4
106.08681	2.5
109.09457	1.7
109.10172	22.5
111.11732	3.0
123.11735	12.6
125.13263	2.7
137.13289	5.0
151.14838	2.6
174.99194	1.9
176.98973	2.7
204.66867	1.3
221.22592	2.3
238.36636	1.1
239.23718	16.1
257.24762	6.7
282.17685	1.2
313.27414	55.5
313.33051	3.3
314.03201	1.4
314.27917	1.5
331.07907	1.6
331.34021	40.0
351.89844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	12.3
55.29967	2.0
56.23220	2.2
57.03432	6.4
57.07082	86.3
57.54585	1.8
57.99717	1.8
67.05507	25.6
69.07072	18.7
70.06593	4.5
71.08639	56.9
75.04472	3.5
81.07063	34.4
81.79263	2.0
83.08640	22.0
85.10181	32.7
88.07629	4.5
91.05475	2.5
95.08614	44.4
97.10178	15.8
98.98473	100.0
98.99129	4.8
100.98888	2.9
106.08675	2.6
109.06549	2.4
109.10173	24.9
111.11719	4.2
119.08593	3.3
123.11720	11.7
127.03904	4.6
137.13269	6.7
174.99286	2.6
176.98943	7.7
180.26259	1.9
199.11827	1.7
239.23770	17.2
257.24857	7.0
313.27386	57.5
331.34012	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
51.82366	1.7
52.62957	1.6
55.05527	11.2
55.05741	1.6
57.03438	6.9
57.07083	100.0
64.92080	1.7
67.05513	23.7
69.07072	21.3
69.84660	9.0
71.08640	71.7
72.19233	1.6
75.04498	3.4
79.05511	1.7
81.07069	38.2
83.08636	25.3
84.69048	1.9
85.06546	2.6
85.10192	37.1
89.06051	3.0
91.17173	1.6
95.08620	56.9
97.10183	13.5
98.98476	26.4
101.56506	1.7
109.10164	25.5
111.11729	6.3
113.13295	2.3
123.11718	9.0
125.13291	3.3
137.13277	6.1
151.14806	2.9
165.16466	1.9
176.98979	2.6
198.69817	1.7
221.22856	2.1
235.81241	1.9
239.23738	16.7
257.24817	8.1
313.27374	59.1
331.34030	2.8
336.38608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69510	3.1
55.05510	5.2
56.05045	2.9
56.32411	2.5
56.96560	10.6
57.03432	8.2
57.04849	2.7
61.02916	11.1
69.03432	22.4
69.07082	3.5
70.06588	5.8
71.04219	6.5
71.05012	3.8
72.07806	3.2
72.08160	38.7
73.02909	5.8
81.03406	7.2
81.07063	4.0
84.04525	17.7
84.08139	15.5
85.02911	96.4
86.09216	6.1
86.09712	100.0
91.03973	6.4
97.02889	32.2
98.97546	8.4
98.98473	44.8
99.04465	4.6
102.05522	9.7
103.01276	3.1
107.04961	32.5
109.02885	6.7
123.05583	11.0
124.07565	3.3
127.03925	27.4
132.10239	6.7
136.06172	12.7
143.11780	9.5
144.06598	5.3
145.04970	35.4
152.07063	7.3
153.05438	11.6
155.08151	4.6
162.07639	9.3
163.06042	4.8
170.08133	9.1
173.09219	3.9
176.98782	3.4
180.08652	10.2
182.39830	3.2
185.16481	11.7
194.35379	2.7
199.18057	17.0
201.08792	3.5
213.16020	4.5
219.06517	3.5
260.88486	2.8
302.86145	3.5
332.13956	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03941	1.6
55.01881	1.4
55.05510	0.9
55.23748	0.7
56.96571	7.6
57.03437	2.5
59.51871	0.7
59.82087	0.8
60.04527	1.5
61.01154	0.9
61.02928	3.6
65.03939	1.2
65.69902	0.7
67.05508	3.0
69.03437	10.3
70.06595	3.7
70.58057	2.2
71.04958	0.9
72.08161	4.8
73.02911	3.5
73.11178	0.7
78.03478	0.9
79.05504	1.3
80.05033	0.8
81.03421	3.2
84.04514	2.3
84.08144	6.2
85.02908	15.6
85.08482	2.0
86.09699	4.0
87.04480	2.1
91.03993	0.9
95.06036	0.8
97.02895	7.3
98.03125	0.8
98.97607	6.8
98.98470	3.5
99.04465	1.5
99.54252	0.8
100.02201	1.7
101.00872	1.7
104.10738	2.3
104.56198	0.8
106.02909	1.6
106.06575	4.6
108.08126	100.0
109.02895	1.5
109.08453	1.0
110.97590	2.0
115.00665	1.3
116.07100	2.1
116.08315	0.7
116.98633	2.1
119.01896	2.1
119.03682	0.8
123.06849	4.0
124.03985	6.9
124.07600	16.4
125.04350	1.4
126.04446	1.6
127.03947	4.4
128.05545	0.8
128.98590	1.7
129.10252	3.2
129.99905	1.1
130.05019	1.1
130.10603	0.8
131.01860	1.0
133.03470	1.0
134.06033	23.2
136.06223	2.3
136.07600	12.8
142.08653	0.7
143.00121	1.2
143.01976	0.8
145.03563	1.3
145.04990	2.0
146.99696	0.9
152.07077	93.2
154.08658	2.0
158.99684	1.5
159.03362	1.1
161.01070	1.0
161.02989	1.5
161.04634	2.8
161.05762	1.1
162.03014	1.3
163.02756	0.9
170.05186	11.0
170.08130	32.9
170.99771	1.5
173.02979	1.7
174.99229	1.7
177.00758	1.2
177.04376	2.0
177.05879	0.9
179.01820	1.0
188.02348	4.5
195.05441	0.9
197.02844	2.6
200.02290	3.0
201.00714	0.9
205.03647	0.8
208.01538	1.1
209.02887	2.2
219.01839	2.1
220.06181	0.9
221.02972	0.8
221.05046	1.7
230.05675	1.1
242.05290	1.1
242.07367	8.7
245.05028	1.2
245.11423	1.3
251.03848	1.6
251.07918	5.0
261.03000	1.0
291.04013	1.2
293.19556	0.8
309.04761	1.6
314.12344	37.8
321.08722	2.5
332.09497	2.1
332.13416	55.7
339.09467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70331	0.8
56.96569	2.1
60.04525	1.2
67.05481	0.9
67.87582	0.9
69.03415	1.4
69.07069	1.1
70.06587	3.1
71.54330	2.0
72.08139	2.5
74.28420	0.8
84.04501	3.4
84.08142	3.2
85.02880	1.6
86.09711	100.0
88.04000	5.8
90.05556	1.7
98.97610	3.7
98.98464	14.0
102.05556	8.8
105.03373	4.5
116.98660	1.5
119.04868	1.0
123.05518	1.4
135.04431	1.0
136.06206	1.5
148.06061	12.4
157.13371	42.8
163.03908	1.7
176.98796	1.0
182.84158	0.8
184.09721	0.9
185.12881	14.0
199.18030	8.1
215.14027	1.1
227.17596	2.1
237.02777	0.9
261.14499	2.5
333.15182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71810	0.8
55.01869	1.7
55.05512	4.7
56.05032	3.6
56.08197	0.8
56.35992	0.8
56.93972	0.9
56.96564	1.8
57.03434	2.7
57.43039	0.9
59.52010	0.8
61.89595	0.8
62.06097	0.9
67.05510	7.2
68.05009	1.8
69.03429	4.8
69.07069	3.4
69.69782	5.8
70.06601	8.1
71.04990	2.2
72.08165	1.7
72.32293	0.8
74.06085	1.6
79.05482	6.4
80.05018	1.1
81.03418	6.5
81.07058	11.6
82.06561	1.9
83.04984	4.3
83.08620	4.8
84.04502	7.6
84.08145	4.0
85.01171	1.0
85.02912	3.2
85.06548	1.3
86.06073	30.0
86.09701	4.4
87.04474	24.6
87.04963	0.6
91.05502	6.5
93.07064	8.6
95.04955	2.9
95.08612	6.9
96.08115	2.1
97.02928	1.2
97.06530	4.7
97.10168	1.3
98.06064	15.6
98.20801	1.2
98.97560	1.6
98.98472	13.4
99.04496	0.9
102.05544	2.6
104.07108	19.3
105.07031	4.5
107.05000	1.4
107.08591	4.0
108.08054	0.9
109.06518	1.8
109.10157	1.2
111.08084	2.0
111.49562	0.9
112.07630	7.3
119.08603	2.6
120.08137	1.8
121.02883	1.9
121.10132	6.5
122.06015	1.0
123.08059	1.5
123.11757	1.7
124.07621	4.7
125.09615	1.1
126.05517	2.1
129.07005	1.7
131.08563	3.9
133.10106	2.3
135.04427	0.9
135.11713	0.9
136.07611	1.2
138.09099	2.3
138.12843	1.4
139.11136	0.9
140.07097	1.2
142.08647	3.7
147.04439	1.9
147.11700	2.8
148.07555	1.5
148.50301	1.1
149.09630	11.6
149.30695	0.9
150.09160	1.0
152.07100	1.6
154.08713	1.4
157.10097	1.3
158.08180	2.7
158.99718	1.1
159.11670	1.4
162.05501	4.7
163.03891	0.9
163.05824	3.0
164.04355	1.2
164.07106	1.3
165.12758	1.7
166.12314	3.4
173.12907	2.4
175.11183	2.9
177.12750	1.3
180.06628	1.8
182.15323	1.3
184.13327	3.8
193.12215	6.6
195.13849	2.6
201.12312	1.0
210.14890	6.9
211.13307	12.1
212.16322	1.3
224.16595	1.0
228.15973	1.9
229.08629	1.0
234.15036	1.3
237.02812	0.9
250.18182	1.3
252.16019	4.9
253.03444	1.0
260.10034	0.9
260.16495	2.3
270.16974	8.2
278.17349	4.4
286.16653	1.1
288.18027	13.6
296.18576	3.6
303.52625	1.1
314.19626	100.0
315.19928	0.9
332.11929	2.8
332.20590	3.1
332.24362	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	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.9
56.05042	10.0
56.96555	2.5
58.06594	5.1
66.36033	1.1
66.77848	1.2
67.05488	1.9
68.05067	1.6
69.03414	1.5
69.07075	10.4
70.06588	5.2
71.11499	2.3
72.08156	50.2
73.04044	1.4
74.06081	36.3
79.05467	1.6
81.07059	4.8
84.04512	16.4
84.08142	6.1
85.02907	5.5
86.06065	1.7
86.09707	51.4
87.02700	1.6
91.05521	1.5
93.07060	2.3
95.04959	1.3
95.08600	4.5
96.04500	1.7
96.08143	3.1
97.02888	2.5
98.06033	1.7
98.09713	1.6
98.37608	1.2
98.97556	3.1
98.98472	19.3
101.07147	21.1
102.05546	2.6
105.03387	1.6
109.02834	1.4
110.09690	5.7
112.07600	2.0
112.11270	1.9
112.93081	1.4
116.01688	1.3
116.10744	6.9
118.08643	2.2
121.06609	1.3
128.10732	16.0
129.10246	6.8
130.06566	2.3
132.10251	1.6
138.09128	2.6
142.08636	1.5
142.12289	3.9
143.11810	9.1
144.06554	5.7
155.11792	1.9
156.10294	1.4
158.05890	1.3
162.07619	10.5
173.12860	100.0
173.81503	1.4
183.11525	1.5
187.14430	15.8
200.12804	17.1
201.12347	33.8
201.14209	2.6
212.16559	3.0
215.13931	10.6
218.13927	2.8
219.13385	7.6
223.05385	1.3
223.07520	5.7
230.17657	1.5
231.17046	1.8
240.10324	2.2
250.14369	2.1
251.06985	3.7
268.09720	4.6
286.10849	3.0
288.18292	1.8
314.19833	4.1
332.12512	5.8
332.20935	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	333.1159
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
51.33047	0.5
56.96560	2.6
57.03437	1.1
69.03429	2.5
70.06586	2.2
72.08163	0.9
74.06076	1.2
81.03430	0.6
83.06098	1.1
84.04509	2.1
84.08144	2.2
84.96059	0.7
85.02913	4.5
86.09703	2.9
87.04406	0.8
89.17424	0.5
89.78658	0.6
97.02885	2.4
98.97594	4.3
98.98475	4.3
99.04476	0.6
100.98953	0.6
101.00874	0.9
104.07102	1.3
108.08126	1.3
109.02852	0.7
109.08452	1.6
110.97564	1.6
112.07577	1.0
113.00883	0.5
116.98634	1.3
119.01871	1.3
121.01693	0.9
123.05571	1.7
127.03908	1.1
128.98586	1.2
129.10245	1.0
130.05019	0.8
130.08624	0.6
131.01842	0.8
136.06187	1.6
140.07082	1.0
143.01926	0.8
145.03488	1.4
155.01941	1.1
156.03395	3.5
157.03468	0.9
158.99677	0.8
159.05002	1.0
162.03633	1.8
163.02675	0.6
168.03296	3.1
170.99716	1.3
171.04083	2.0
171.06303	32.2
171.07607	1.7
173.02986	1.4
174.04416	3.4
175.57780	0.7
177.00745	0.9
185.04312	4.0
186.04414	7.7
189.00713	0.9
197.06583	0.6
200.13947	0.8
201.06108	0.6
203.03792	1.1
203.05327	1.9
204.05443	3.5
219.01720	1.3
221.04993	3.9
222.02045	0.9
225.06084	0.5
231.05405	0.8
237.02777	1.3
237.06273	0.8
241.83975	0.6
243.06310	1.9
259.02948	1.4
273.08136	0.9
277.03900	0.9
279.10147	2.2
285.08203	7.4
287.11032	0.9
297.11292	4.5
315.09235	5.0
315.12543	0.8
315.16214	0.7
333.11575	100.0
334.11969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
60.79919	0.4
70.06596	1.2
70.71883	1.1
72.08147	0.5
74.06065	0.3
74.06480	0.4
76.46114	0.3
84.08133	0.8
85.02905	0.7
85.06532	0.4
86.09693	1.1
98.30805	0.4
98.97601	0.8
98.98459	1.2
116.07167	0.6
129.10269	1.3
171.09955	2.8
178.39943	0.4
205.19772	0.4
205.73279	0.4
315.09787	0.8
333.15234	100.0
334.15485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
56.96570	42.0
57.03422	1.5
61.02924	0.9
67.05511	6.7
69.07063	1.7
69.25785	4.2
69.26210	2.1
71.95268	6.9
72.96046	1.8
74.97606	1.6
79.05498	3.9
80.99306	0.6
81.03402	1.3
81.07053	4.6
83.04964	0.8
83.08614	0.7
84.96043	4.0
89.96293	0.6
91.05473	2.4
93.07066	5.8
95.08606	4.7
97.96811	3.5
98.20757	1.0
98.97579	2.6
98.98473	6.1
100.98877	0.7
101.98556	0.6
105.00192	1.6
105.07034	2.9
107.08569	1.7
109.06499	1.2
109.10163	1.9
110.97572	16.9
115.97835	2.3
116.98635	1.6
117.06999	1.1
119.01736	0.8
119.08603	1.7
121.10146	1.2
123.01176	1.8
124.99146	0.6
128.98622	21.0
129.02235	0.6
129.05481	1.4
129.07027	0.8
131.00171	1.3
131.08536	1.1
133.10132	2.3
135.11691	1.1
137.02727	2.3
143.00160	3.0
145.10153	1.6
146.99663	11.4
147.77330	0.8
149.02681	0.7
149.13272	1.1
151.72986	0.6
152.00201	1.6
159.11745	1.4
161.01242	3.0
161.04788	0.7
165.00731	1.1
169.05374	0.9
170.01135	1.0
171.03317	2.7
175.02657	0.8
175.04033	1.2
183.03169	1.3
185.04869	1.3
189.02254	0.7
189.04375	2.5
193.03783	0.7
203.05931	1.8
205.01619	0.8
209.04935	0.9
211.06418	0.7
213.07883	1.0
219.34814	0.7
225.07880	1.5
227.09586	1.2
230.77916	0.7
235.06482	0.8
241.11121	2.4
241.19580	0.9
245.08559	1.0
245.10779	0.7
259.12262	1.5
263.09491	5.3
265.11108	2.3
267.09155	0.8
277.11270	1.7
281.10522	1.2
285.11612	0.7
289.11002	1.0
291.12436	0.9
295.66241	0.7
303.12689	3.9
313.14746	1.9
315.16327	75.1
316.16727	0.8
321.13712	1.0
331.15808	5.0
332.65692	1.1
333.17374	100.0
333.24066	3.5
334.17899	1.5
347.19214	0.8
351.18457	16.9
356.19016	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.96564	1.8
57.07061	0.6
67.05497	1.2
69.07063	0.8
69.77473	1.3
77.00879	0.7
79.05485	1.5
81.07050	1.2
81.79084	0.3
91.05482	0.9
93.07038	0.7
95.04941	0.5
95.08572	0.8
97.06528	1.8
98.47064	0.3
98.98473	12.8
100.98900	0.8
105.07006	0.7
107.08567	0.7
109.10173	0.4
117.07056	0.3
119.08546	1.3
121.10184	0.4
131.08588	0.4
175.03947	0.6
176.98959	1.0
195.09973	1.2
198.65736	0.4
201.09610	0.4
204.89180	0.3
207.31538	0.4
213.09709	0.6
215.11247	0.9
227.11284	0.5
231.10831	0.8
235.13045	0.5
243.12709	0.6
254.99402	0.4
257.64789	0.3
259.09369	0.3
265.12836	0.3
269.10510	0.6
287.11697	2.1
315.18344	1.5
333.16965	4.8
333.20367	100.0
334.20840	1.1
351.20044	1.0
356.20825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34323	0.5
53.03949	0.6
55.01875	0.6
55.05491	0.4
56.05022	2.1
56.49534	0.4
56.96560	1.8
57.07067	0.6
60.04531	0.7
63.43911	0.4
67.05506	0.6
69.03432	1.2
70.06599	3.2
71.15694	0.8
72.08142	1.2
79.05492	0.7
81.03402	0.7
81.07061	1.0
83.08615	0.5
84.04516	24.4
84.08144	2.1
84.96039	1.1
85.02888	2.7
85.06531	1.3
86.09707	2.6
91.05478	1.4
95.04985	1.1
96.56944	0.4
97.02876	1.1
98.06092	0.6
98.97601	2.5
98.98499	0.7
99.24522	0.5
102.05531	1.0
105.03403	4.2
109.02847	0.7
110.07128	0.7
110.97546	0.5
112.69843	0.5
115.05470	1.4
116.07109	1.4
116.98608	0.8
117.06982	1.0
118.06557	16.5
120.08104	2.1
121.02860	0.5
126.19965	0.5
127.03941	0.9
129.10252	0.9
130.05022	6.1
130.06483	2.6
132.08101	5.8
133.71423	0.5
142.06551	2.5
143.07324	2.4
144.08098	10.6
144.10143	2.5
146.06026	56.5
158.99658	0.9
159.09206	12.1
160.07677	1.1
170.06039	5.0
177.00789	0.6
182.97115	0.6
188.07083	100.0
189.07436	0.6
191.11839	0.8
205.09737	20.2
219.01796	0.5
225.10251	8.4
237.02849	0.6
271.10809	1.3
306.70929	0.6
316.12683	0.5
317.11304	4.4
334.14047	4.1
358.08176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01865	4.9
55.05521	7.1
55.05738	1.6
56.96566	2.3
57.03174	1.2
57.03434	5.9
57.07078	7.4
61.53640	1.3
65.03934	2.0
67.05176	1.5
67.05512	27.4
69.07078	10.8
70.58876	4.4
71.08633	10.3
72.04525	76.5
79.05506	16.9
81.07069	31.6
83.04974	1.7
83.08608	4.1
85.06512	3.1
88.07616	1.9
91.05497	11.6
93.07060	20.8
95.04979	16.1
95.08048	2.4
95.08616	32.5
97.06527	6.3
97.48514	1.6
98.97543	3.2
99.08096	5.1
100.07607	2.9
105.07024	9.3
107.08598	17.8
109.06529	28.3
109.10178	8.8
114.09186	19.3
114.55737	1.4
119.06081	1.6
119.08579	7.3
120.64610	1.3
121.06548	2.7
121.10152	8.1
123.08008	2.8
123.11745	2.4
128.10721	7.9
131.08548	6.6
133.10147	7.8
135.08052	4.2
135.11664	2.5
137.09602	2.3
142.12257	4.5
145.10120	3.9
147.11697	6.0
149.05952	1.6
149.13286	4.0
151.14784	1.8
155.08620	1.5
156.13831	3.6
159.11703	2.7
163.11211	1.5
163.14835	2.2
165.12775	100.0
173.13281	5.6
175.11214	3.5
177.12740	2.2
180.13853	4.4
182.15410	12.1
187.14783	2.3
191.14305	8.7
194.15401	2.1
200.17279	1.3
201.12817	5.9
212.16429	11.2
215.14478	1.7
220.16971	13.3
229.19501	3.8
236.20105	36.0
253.19641	1.9
269.05478	1.5
271.20621	6.7
289.21686	10.0
293.05453	1.6
302.10605	1.8
311.06494	4.3
316.26300	5.5
334.27402	41.0
334.33676	1.6
335.21860	4.8
335.25797	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	335.0741
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.96848	6.7
54.87683	6.1
60.56905	5.9
67.51532	6.4
68.38210	7.8
69.23182	72.3
69.23514	12.8
69.72219	6.6
94.57632	7.4
95.63239	7.0
98.20805	19.2
106.44543	7.3
243.41452	7.5
248.52408	8.4
335.07413	100.0
344.78415	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	335.0741
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
69.65272	48.4
83.52727	8.1
101.00887	22.2
105.49375	8.2
119.01917	12.4
127.02438	8.5
129.26340	6.7
143.01962	11.4
145.03493	12.3
155.01849	9.6
161.02992	21.0
164.54387	6.7
185.02907	12.5
187.04601	8.5
189.71410	7.5
205.96245	44.0
205.99852	60.6
245.05089	8.5
291.05011	15.7
335.03958	21.6
335.07410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87491	1.0
56.96573	16.9
58.99851	1.2
62.07111	1.0
69.03419	3.2
69.56966	1.1
70.06583	2.0
70.98124	5.7
70.99827	1.3
71.06934	1.2
71.54128	1.0
72.08157	1.5
81.03416	2.2
82.99821	5.1
83.60793	1.0
84.04491	2.1
84.08154	4.8
85.02908	4.9
88.99174	2.2
89.00913	1.1
94.99882	1.3
95.04980	1.4
97.02914	2.6
98.97594	13.4
101.00271	2.0
101.00895	34.2
103.02460	1.5
109.02890	1.3
110.97590	3.8
111.04470	1.2
113.00892	9.5
115.00631	7.0
115.02441	4.1
116.98616	6.5
119.01934	37.4
119.14725	1.3
120.04458	1.5
120.08135	1.2
124.99125	1.4
127.02478	3.6
127.03960	2.3
128.98622	4.7
129.03996	3.4
130.06546	3.3
131.00259	1.3
131.01033	1.6
131.01918	21.8
131.05569	10.0
133.03459	4.8
137.00864	3.0
137.02986	3.1
137.06026	1.4
139.02432	1.1
142.03500	1.0
143.01913	92.1
145.01732	1.9
145.03485	14.5
146.06003	2.3
146.44299	1.2
146.99660	4.7
147.01326	1.5
147.05064	2.9
149.02969	2.9
149.06639	8.8
154.96567	1.6
155.01909	31.8
155.05518	3.9
156.02684	4.1
156.44659	1.1
157.03502	7.9
158.06076	1.4
158.99690	4.7
159.05058	4.4
161.01253	3.5
161.02974	98.4
162.03122	1.8
162.05490	1.2
163.02736	1.2
165.00716	2.9
167.02069	1.4
167.05559	3.1
169.03493	2.3
169.07129	1.7
171.05019	3.3
172.97562	5.9
173.01447	1.5
173.02972	24.4
173.06618	29.5
175.02782	1.3
175.04556	5.2
177.00687	1.4
177.06148	3.9
181.07675	1.3
184.04628	2.2
184.07616	1.7
185.03041	10.7
185.06612	30.5
187.04506	1.6
187.08199	7.4
189.00623	1.3
189.06027	1.6
190.98668	9.3
191.02293	2.3
191.07629	7.8
197.06696	2.9
199.08237	2.8
201.00729	1.1
201.06116	2.1
202.03848	1.2
203.04039	12.0
203.07668	15.1
205.00160	2.3
205.03807	1.5
208.07788	1.3
208.99692	1.7
209.06718	1.5
215.04187	1.3
215.05836	1.0
215.07677	16.0
217.09135	1.9
218.98314	2.1
219.01833	5.3
221.05077	30.1
223.01311	2.4
223.04886	1.4
226.08917	1.3
227.07657	2.4
228.08655	1.2
232.99727	8.4
233.08786	4.4
237.02786	6.5
240.05388	1.9
245.05165	7.6
251.00761	3.9
257.08746	5.0
258.06494	2.2
261.51437	1.1
263.06216	3.0
270.07718	1.4
275.00464	2.1
275.09769	47.3
287.08298	1.8
289.06030	1.8
289.11664	1.3
293.01797	3.4
293.10825	100.0
294.11063	2.1
307.07263	2.2
312.03931	2.4
316.12280	2.3
317.01917	2.0
317.05362	2.3
335.07513	2.5
335.11899	49.5
336.12100	1.3
353.07513	2.9
356.59567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
57.03450	0.7
65.03948	3.5
67.05514	5.2
69.07077	100.0
69.32731	3.0
69.33159	2.6
70.06615	0.6
72.41799	0.6
79.05505	1.8
80.05018	1.6
81.07065	5.7
82.06573	0.9
91.04244	0.8
91.05494	0.9
92.05003	3.9
93.07068	1.0
94.06567	3.6
95.04964	1.5
95.08636	0.6
96.08149	0.9
97.06544	15.6
108.04498	1.0
109.06538	1.4
110.06094	0.8
117.07004	1.0
119.03761	1.1
120.04520	1.0
121.05251	1.2
121.06546	0.9
122.06037	7.8
124.07618	2.2
125.06039	0.9
128.43982	0.6
131.07353	1.6
132.04509	0.7
132.08150	0.9
137.06036	2.6
138.05544	5.8
140.07088	6.7
142.08708	1.1
143.07352	0.7
143.08568	0.8
144.08124	2.5
145.08919	3.2
145.10156	1.8
146.09669	3.9
147.06839	1.3
147.57980	0.6
148.03954	3.5
150.05524	74.9
152.03450	0.9
155.08699	0.8
157.08943	3.0
157.10138	0.8
158.09641	1.5
159.10510	1.6
160.07631	1.7
161.08391	4.2
162.09222	2.4
164.03433	1.3
165.04254	0.9
166.05019	31.6
168.06650	1.3
172.07657	1.9
172.11249	4.2
173.08440	2.6
174.09245	2.0
174.12802	6.9
175.10011	0.7
176.03441	9.0
176.04715	0.8
178.05049	2.6
182.04593	1.0
185.08519	1.7
186.07741	1.3
186.09215	1.3
188.07213	0.6
188.10822	1.2
190.08696	0.8
190.12285	4.6
192.02994	1.2
194.04446	3.8
198.07829	1.4
199.06297	0.7
200.07211	1.3
200.09177	0.7
200.10796	6.7
202.08717	0.6
202.12263	7.7
204.06525	0.8
204.10316	0.9
213.10260	1.3
216.10242	3.5
218.08437	1.8
218.11786	28.1
225.10291	0.8
226.08765	1.1
227.11929	0.8
228.10231	18.3
229.13388	1.5
230.11818	0.8
234.11305	2.8
241.09850	0.8
243.11417	1.7
244.09795	1.5
245.13019	1.3
246.11295	23.5
254.08243	0.8
255.11186	1.0
256.09821	1.4
257.09344	1.2
261.08875	0.9
262.10721	0.8
271.07849	1.2
271.10678	4.6
272.09152	3.8
273.12350	3.2
274.10825	3.3
287.10352	8.2
289.11847	9.3
290.10376	2.0
291.13474	0.8
294.16785	0.7
299.10208	6.2
300.08798	0.8
317.11356	27.0
318.09647	0.8
331.06754	0.6
333.39542	0.7
333.92981	0.6
335.12418	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
56.96557	2.5
60.73039	1.2
65.00716	1.1
65.03937	4.2
67.05505	9.4
69.03426	2.9
69.07073	100.0
69.76914	2.8
69.77326	3.9
70.06590	3.9
72.30374	1.2
79.05507	8.5
81.03407	3.4
81.07063	9.9
82.72271	1.1
83.04993	2.2
84.08144	2.0
85.02911	1.8
86.09717	4.5
91.05470	8.9
91.37560	1.3
92.04996	4.8
93.07056	8.3
94.06549	4.9
95.04971	4.1
95.08617	6.7
97.02887	2.2
97.06546	16.2
98.97601	2.7
105.03418	1.1
105.07041	10.4
107.08603	4.8
108.04485	1.5
108.08092	1.4
109.02876	3.6
109.06525	2.6
109.10157	3.5
111.04468	1.7
111.08054	1.4
112.99059	1.2
116.98636	1.7
117.06997	5.0
118.07339	2.0
119.08568	6.9
120.04432	1.5
120.08115	1.4
121.06538	7.0
121.10139	4.9
122.06049	10.5
123.08060	3.2
123.11731	1.4
124.07592	3.6
125.06010	2.2
125.09643	1.3
128.06241	1.6
129.07004	2.4
131.08594	6.9
133.06493	2.5
133.10129	4.4
135.08047	5.9
135.11702	2.4
136.07516	1.2
136.08521	1.7
137.05966	5.8
137.09607	1.7
138.05484	4.4
139.03893	1.8
140.07077	9.3
143.08553	4.1
144.08081	1.7
145.08879	3.1
145.10130	5.5
146.09616	2.5
147.08089	3.4
147.11707	2.7
148.03926	2.5
149.01241	1.6
149.09630	1.9
150.05513	89.2
152.03448	1.7
157.08826	1.5
157.10149	4.3
159.08046	2.5
159.11729	2.5
161.06007	1.5
161.08391	3.0
161.09612	4.1
162.09122	2.3
165.09074	2.2
166.05011	27.4
168.06593	2.2
169.10077	1.7
171.01146	1.5
171.11771	2.8
172.11220	2.5
173.09627	2.1
173.13264	2.6
174.12819	3.0
175.11220	3.0
176.03462	5.8
176.09044	1.3
177.09174	1.8
178.05052	2.5
185.13181	1.9
186.09109	1.5
190.12224	3.2
194.04507	5.6
197.13246	1.7
198.07913	3.4
200.10745	4.2
201.12732	1.6
202.12283	5.1
205.08652	3.7
206.08926	5.1
213.10225	3.9
213.16394	1.4
216.10251	2.9
218.11740	11.8
226.07291	2.6
227.11688	1.8
228.10219	9.8
229.13354	1.5
232.07863	1.3
234.11266	2.0
237.02699	1.5
241.09648	3.1
243.11310	2.3
244.09758	2.9
246.11285	10.8
253.09683	1.3
255.11316	1.5
256.09708	3.1
257.09106	1.9
257.18805	2.0
261.12537	2.5
269.09155	2.2
269.19080	2.8
271.06897	1.3
271.08243	1.2
271.10864	9.6
271.13300	2.0
271.20425	1.6
272.09012	1.5
273.12286	3.1
273.18863	4.5
274.10712	1.7
287.10275	54.1
287.20129	2.5
289.11932	6.4
290.10129	1.7
293.05441	1.5
299.10257	7.4
299.19962	3.5
317.11340	42.5
317.14957	3.0
317.21191	3.9
318.09595	1.9
335.08755	1.5
335.12564	9.0
335.22205	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.96576	1.2
67.05505	2.0
69.04000	0.5
69.71693	2.1
69.72099	1.1
79.05492	1.4
81.07052	2.2
91.05479	0.9
93.07061	1.9
95.08621	1.7
97.06533	0.5
105.07047	1.5
107.08612	1.0
109.10191	1.0
117.07059	0.7
121.10168	0.9
123.28446	0.5
129.09734	0.5
131.08588	0.8
133.10133	1.5
145.10094	0.8
148.42780	0.5
195.09976	1.7
227.11534	0.6
283.08627	0.5
310.51483	0.6
331.36459	0.6
335.21951	100.0
336.22324	1.3
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
52.97159	0.3
56.96577	0.4
57.59880	0.3
67.05496	0.6
69.91891	1.3
79.05515	0.5
93.07052	0.6
95.08636	0.4
106.09669	0.3
161.35693	0.4
195.09929	2.0
257.82300	0.4
277.80252	0.4
281.27533	0.4
335.21957	100.0
336.22296	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01869	1.4
55.05270	1.6
55.05515	22.4
55.14982	1.0
56.96577	1.8
57.03440	26.5
57.07077	3.5
60.34444	0.9
65.03932	2.6
67.05509	80.6
69.07072	20.5
69.40057	3.7
69.40481	5.0
71.04978	1.7
71.08638	1.3
72.04530	4.8
79.05499	43.4
81.07062	74.9
83.04984	2.7
83.08624	7.7
85.06538	2.2
91.05489	20.2
93.07050	50.8
95.04963	3.9
95.08612	62.3
97.06526	3.4
97.10171	3.4
99.08093	2.0
105.04543	1.7
105.07049	14.3
106.97260	1.0
107.08600	19.8
109.06520	3.2
109.10165	20.7
117.07037	3.0
119.08587	11.6
121.10145	17.2
123.11710	7.3
129.05476	1.1
131.08591	9.0
133.10162	8.6
135.11732	10.8
137.09633	1.7
137.13275	2.2
145.10132	6.0
147.11655	4.8
149.09642	1.4
149.13286	7.2
151.14844	1.1
159.11690	5.4
161.13228	5.1
163.11192	1.0
163.14842	1.8
165.12822	4.8
166.13100	3.7
173.13284	4.5
176.87297	1.1
179.14096	1.2
187.14847	3.4
195.09917	2.3
213.16812	1.4
221.13283	1.3
237.20459	2.0
243.21097	3.7
261.22177	6.2
265.16116	1.0
335.21872	100.0
335.25836	72.7
336.22278	2.0
336.26141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05510	7.4
56.96564	1.1
57.03440	6.5
65.03933	1.2
67.05508	28.0
69.07072	6.6
69.76054	1.4
69.76479	2.2
71.04976	0.6
79.05064	1.0
79.05498	15.0
79.89022	0.6
81.07059	24.3
83.04993	1.2
83.08615	2.6
85.06552	1.1
91.05490	9.2
91.77526	0.6
93.06474	1.1
93.07049	15.1
95.05001	1.0
95.08607	21.6
97.06528	1.0
97.10165	1.2
98.20795	0.6
105.07046	4.8
107.08601	7.8
109.06493	1.3
109.10159	8.5
111.08070	0.9
117.07017	1.5
119.08604	3.8
119.74109	0.6
121.10144	6.9
123.11709	2.3
131.08575	2.8
133.10147	3.8
135.11705	4.1
143.07085	0.6
145.10100	1.3
147.11673	2.4
149.09581	0.6
149.13287	1.7
159.11739	1.7
161.13287	1.8
163.14789	0.7
169.31062	0.6
173.13307	2.0
187.14857	0.9
243.21082	1.2
261.22079	2.4
335.21909	100.0
335.25815	29.1
336.22266	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.37237	1.1
51.66541	1.2
52.50399	1.2
53.03946	5.9
55.01874	1.4
55.05272	1.6
55.05517	27.0
56.58878	1.1
57.03444	27.6
57.07071	2.2
60.34898	1.1
60.97798	1.1
65.03932	3.4
67.05512	100.0
69.06725	1.9
69.07076	24.7
69.20564	9.3
69.20979	3.4
71.04993	2.9
77.03918	1.2
79.05500	51.1
81.07065	84.6
83.04962	1.9
83.08641	8.1
85.06529	2.3
85.34998	1.2
91.05492	26.3
93.07055	53.7
95.04970	2.2
95.08617	67.2
97.06524	3.4
97.10172	3.0
98.20741	2.3
98.98484	1.5
104.76036	1.2
105.07037	12.9
106.60279	1.2
107.08610	21.6
109.10163	26.1
111.08113	2.3
117.07005	4.8
119.08599	10.3
121.10162	19.5
123.11723	8.4
131.08577	8.7
133.10136	6.7
135.11681	11.8
145.10104	4.5
147.11693	5.4
149.13211	6.4
159.11693	2.4
161.13242	4.1
163.14769	1.4
165.12766	1.2
173.13297	2.3
187.14903	1.6
191.17911	1.2
243.21132	2.0
261.22205	3.1
335.22510	3.6
335.25821	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.46309	1.2
53.03939	5.3
55.01868	1.4
55.05270	1.6
55.05514	22.7
57.03197	1.7
57.03445	24.5
57.07075	3.2
60.48203	1.2
65.03933	3.0
67.05511	94.7
69.06729	1.7
69.07078	21.8
71.05003	2.1
71.32491	3.1
79.05501	49.0
79.05957	2.7
81.07066	86.4
83.04974	2.4
83.08633	7.8
88.30999	1.4
91.05485	23.1
93.07056	47.4
95.04978	3.7
95.08616	66.4
95.30227	1.4
97.06532	3.6
97.10171	3.4
99.08077	1.6
105.07043	15.5
107.08611	23.6
109.10166	30.7
111.08074	1.9
117.07004	6.1
119.08597	12.7
121.10152	22.9
123.08083	2.5
123.11684	8.1
131.08582	9.0
133.10161	6.8
135.11723	16.7
135.17513	1.1
137.13278	3.6
145.10141	6.3
147.11690	6.1
149.13272	8.5
159.11705	5.5
161.13252	4.7
163.14809	4.1
166.81837	1.5
173.13257	3.5
187.14877	3.7
191.71912	1.2
217.33990	1.5
243.21101	4.0
261.22226	11.9
267.89111	1.8
277.59357	1.5
317.24643	1.4
335.25827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.192
Annotation	Ala Phe Val
Peak:m/z	Relative Intensity
55.05503	0.9
65.74838	0.4
69.03426	0.4
70.06602	3.8
70.09093	1.3
70.09495	0.7
70.57756	0.4
71.01019	0.4
72.08163	11.0
81.03458	0.6
84.08150	1.5
85.02921	0.4
86.09703	2.1
89.59682	0.4
91.05502	0.8
93.07058	1.1
95.01097	0.4
96.33324	0.4
97.02904	0.5
98.20801	0.4
98.97603	1.1
103.05476	2.3
107.08614	0.4
118.08644	2.0
120.08119	100.0
121.08451	0.8
139.11909	0.4
142.08643	0.6
142.73651	0.4
191.11815	32.3
219.11333	8.9
219.14896	5.5
247.14464	0.7
265.15457	3.9
265.17709	0.4
272.10614	0.4
304.34515	0.5
318.11752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46938	1.2
56.96294	1.8
56.96567	27.4
70.06602	2.2
70.98111	1.8
71.54229	1.7
71.95255	2.0
74.97617	1.9
79.07105	1.3
84.04533	1.5
84.08148	1.5
84.96052	6.9
95.24163	1.2
98.97572	3.1
102.97115	1.5
115.00679	2.8
116.98611	1.6
120.08093	4.4
121.99154	4.1
123.15575	1.4
129.02214	1.5
133.01694	1.4
138.02289	1.8
140.00215	22.5
146.99774	1.3
152.00220	1.4
156.03337	16.6
157.01744	3.8
158.01276	19.3
163.03925	2.0
170.01205	2.2
174.04395	15.3
175.02794	11.0
176.02328	4.2
180.03378	3.4
183.01982	1.3
184.02759	1.9
186.04378	4.0
188.02319	1.9
189.04366	2.1
189.77313	1.2
191.02133	1.3
192.05441	1.4
193.03857	3.3
194.04927	1.6
197.00078	1.4
197.50340	1.2
198.04372	5.4
200.02307	1.7
202.07535	1.7
203.02371	1.7
204.03418	3.0
204.05408	4.7
210.04480	1.7
212.06006	7.0
216.05519	1.5
216.09100	1.7
218.98347	2.3
222.04431	11.3
222.97281	1.5
224.05991	2.4
230.07056	4.0
234.04538	1.7
240.05452	40.7
242.07028	27.9
252.05478	20.9
258.06528	18.2
260.08109	28.4
262.96304	1.3
265.08612	1.3
270.06519	34.6
278.03387	2.2
283.10693	2.4
284.04449	2.2
288.07553	5.8
293.08157	1.2
296.04385	13.8
302.05603	3.1
314.05484	100.0
319.06155	1.9
319.12799	1.9
332.06580	20.7
337.09354	12.3
337.13327	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	337.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	2.5
56.96573	45.2
57.03435	1.5
57.60818	1.2
70.06595	3.0
70.98126	20.8
71.54284	2.5
71.95274	3.1
72.08127	1.7
72.90251	1.3
74.97604	1.8
84.08144	3.0
84.96046	7.7
85.02934	3.1
88.99181	8.0
97.02918	1.2
98.97597	77.7
100.99184	1.7
103.00629	1.6
107.00198	1.6
110.97588	24.3
112.99169	11.6
113.00858	1.7
115.00684	1.8
116.07137	1.1
116.98641	24.0
119.00116	1.6
119.01942	2.2
121.01703	1.2
122.23665	1.2
123.39613	1.2
124.95531	8.2
127.02406	1.7
128.98627	30.3
131.00180	7.4
133.01726	4.6
133.03386	2.5
134.99675	4.7
140.98618	4.2
142.96538	5.3
143.00171	4.5
143.01967	1.6
144.98112	2.8
145.01776	2.2
145.03487	2.4
146.30760	1.2
146.99673	22.0
147.03223	2.1
148.47083	1.3
149.01239	2.5
152.95013	1.7
152.98592	2.8
156.98126	2.3
157.01659	2.0
158.99673	14.1
161.01219	3.2
161.02956	1.9
163.02838	2.2
165.00743	8.0
170.96025	11.2
170.99696	6.0
172.97614	2.1
173.01331	1.7
173.02867	1.7
174.99202	4.6
175.02847	5.6
175.04478	1.9
177.00720	5.9
184.97597	7.4
186.99190	1.7
188.97089	16.7
189.00755	12.0
190.98711	2.1
191.02316	2.9
193.00237	3.5
193.03935	2.2
201.00812	2.8
202.98659	8.9
205.00238	7.9
205.03743	2.0
206.98103	5.8
207.01843	7.4
212.97099	3.4
215.07552	1.6
217.00229	5.3
219.01799	19.9
220.99788	6.5
223.01297	2.6
227.04172	1.5
230.98155	18.4
232.99681	3.3
235.01231	4.0
237.02840	19.5
244.99724	14.5
247.04886	1.9
248.99138	5.6
249.02905	2.5
261.08356	1.9
263.00766	23.1
267.03946	1.8
277.02383	12.0
277.06021	11.4
281.01807	1.9
295.03485	4.1
295.06955	36.1
305.02029	1.8
337.08932	100.0
355.09451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
51.92251	4.4
61.70657	3.5
70.44641	13.7
83.95627	4.0
88.83190	3.8
116.16231	4.1
137.53326	3.5
153.51619	3.7
198.05115	3.7
205.61957	3.8
285.20987	3.9
312.23804	4.1
337.09003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2377
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
51.54227	1.0
53.03950	1.8
55.01874	1.1
55.05507	5.5
56.96545	1.4
59.05000	1.3
65.03928	0.9
67.05511	8.7
68.17919	1.0
69.03429	3.9
69.07065	7.6
70.06589	1.4
71.04998	1.8
71.06629	1.8
72.69061	0.9
79.05499	17.7
81.03436	1.8
81.07059	21.0
83.04983	4.6
83.08620	2.6
83.65136	0.9
89.03941	0.9
91.05489	15.8
93.06475	1.4
93.07053	22.6
95.04990	5.3
95.08049	1.7
95.08617	20.6
95.09229	1.1
97.06547	8.6
97.10188	2.0
103.05463	2.0
103.69503	1.1
105.07037	25.7
106.31523	1.2
107.04937	5.7
107.08607	42.4
107.64703	0.8
109.02898	1.4
109.06503	4.1
109.10165	13.1
111.08086	2.5
117.07005	3.8
119.07784	1.6
119.08586	19.1
121.06521	2.9
121.10152	34.0
123.08073	7.7
123.11719	6.0
125.09648	3.6
129.07043	2.6
130.72054	1.1
131.08598	5.7
133.06616	1.1
133.10139	12.6
135.04436	1.2
135.08066	76.7
135.11693	11.8
137.09624	10.8
137.13280	3.6
139.11166	3.4
143.08566	4.2
145.10139	8.9
147.08032	1.5
147.11690	15.8
149.09624	26.1
149.13277	2.8
151.11163	3.3
153.09087	3.1
153.12730	1.2
155.08603	1.4
156.09364	1.3
157.10091	4.6
159.08159	1.0
159.11722	6.4
161.09624	8.4
161.13264	10.6
163.03946	9.8
163.11195	3.3
165.06981	1.7
165.12750	3.7
167.08621	1.7
167.10677	2.8
169.10156	2.2
171.08122	1.0
171.11623	4.5
173.09648	1.6
173.13245	2.0
175.11203	6.9
175.14835	1.8
177.12770	3.1
179.14316	4.3
183.11688	1.4
185.09669	1.0
185.13260	3.3
186.14426	1.0
187.11172	1.9
187.14766	1.3
189.12805	2.3
191.08424	1.0
191.14330	1.1
195.08232	1.6
195.11790	1.1
197.06047	1.3
197.13428	1.1
197.15437	1.5
199.11319	0.9
199.14842	2.5
201.12764	2.0
201.16396	1.4
203.14166	1.0
209.09624	1.0
209.13313	1.6
210.10396	1.0
213.12784	1.2
213.16365	1.8
215.07022	1.2
215.14346	1.4
217.15895	1.0
219.08040	1.2
221.09644	1.3
223.07573	2.4
223.14920	1.2
225.16374	2.0
227.14359	2.3
229.16006	1.4
234.06886	2.0
237.09109	2.5
241.08516	5.0
241.16037	1.1
241.19508	2.4
243.21074	1.4
247.07713	1.4
248.08398	1.1
249.09004	2.3
250.09941	1.0
253.19598	1.7
255.21046	4.4
257.19208	1.3
259.20615	1.6
262.09875	1.3
265.08563	2.1
265.12305	1.4
265.19675	2.9
267.13721	1.6
271.20648	5.3
273.22290	1.1
277.08575	1.8
280.11282	1.1
281.11853	1.0
283.20563	11.1
285.10147	2.7
289.21619	1.8
291.13773	1.8
291.23129	1.2
293.11761	6.6
293.14960	1.6
301.21735	9.9
305.07993	1.3
309.14874	3.1
319.13318	3.1
319.22739	23.0
337.10345	4.7
337.14337	18.8
337.23758	100.0
338.24283	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	337.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	35.6
55.86588	4.9
57.03440	11.4
57.07070	10.8
58.47669	4.2
62.59613	4.6
65.03967	5.3
67.05504	67.3
69.07077	51.0
71.05000	30.9
75.75735	4.7
77.47744	4.7
79.05528	26.4
81.07065	100.0
83.08617	16.4
91.05482	42.2
93.07039	55.6
94.01530	5.6
95.04967	18.8
95.08611	96.1
97.06537	11.0
97.10168	15.7
98.21505	14.6
105.07034	76.4
107.08604	45.4
109.06503	11.2
109.10162	49.4
109.64217	4.7
115.05523	5.0
117.07002	9.9
119.08594	72.8
121.10159	74.1
123.08099	10.0
123.11732	61.8
128.06259	6.0
129.07011	12.0
130.07779	7.7
131.08554	38.3
133.10156	47.2
135.08012	25.2
135.11679	10.6
137.13286	8.1
142.07773	21.9
143.08562	29.4
144.09340	9.3
145.10139	63.9
147.08041	6.9
147.11681	26.6
149.09615	6.9
155.08600	14.4
156.09398	9.6
157.10147	58.3
159.11694	22.9
161.09612	31.5
161.13237	12.3
163.14734	6.4
165.07047	7.6
167.08578	8.4
168.09329	6.1
169.10117	19.3
170.10951	8.4
171.11714	24.0
173.13268	15.1
175.14827	20.6
181.10066	13.8
182.10947	7.6
183.11755	21.1
184.12486	7.3
185.13243	13.9
187.14864	13.1
189.12718	5.1
189.16417	8.7
195.11728	14.0
196.12564	4.9
197.13277	39.5
199.14836	16.7
201.16382	15.5
207.11821	5.6
208.12457	9.1
209.13249	20.2
210.14032	7.0
211.14850	17.9
213.12761	6.3
213.16316	9.4
215.14342	13.1
223.14818	22.6
225.16353	8.1
229.09885	6.2
237.16412	7.1
239.18169	9.9
253.19554	11.9
263.17950	8.8
279.21030	20.7
281.18939	13.6
282.39133	5.5
294.23361	6.5
319.24078	12.2
337.21225	11.7
337.25330	63.1
337.27570	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	337.2739
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03938	2.2
55.01865	1.6
55.05517	37.0
57.03442	23.1
57.07087	5.4
65.03925	3.4
67.05509	80.5
67.72257	0.8
69.07073	46.3
69.67149	0.8
71.05000	2.2
71.06465	2.2
71.08624	3.2
79.05074	1.3
79.05502	20.6
81.07063	74.1
83.05002	1.7
83.08621	20.7
85.06508	1.4
85.10179	1.4
85.77928	0.8
91.05488	12.9
93.07049	19.6
95.04977	1.8
95.08614	52.0
97.06511	6.5
97.10174	11.7
99.08106	1.5
105.07059	7.6
107.08612	10.4
109.06553	1.0
109.10163	22.1
111.08085	2.1
111.11728	1.8
119.08589	9.5
121.10148	8.7
123.08157	0.9
123.11720	9.2
131.08669	0.9
133.10138	8.6
135.11687	6.0
137.09608	1.4
137.13240	3.7
139.11115	1.0
147.11699	5.2
149.13252	1.5
151.14815	2.3
161.13303	4.2
163.14822	2.5
165.12698	1.0
175.14844	3.0
245.22678	1.7
263.23810	4.4
337.27383	100.0
338.27936	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.74792	0.8
52.65371	0.8
53.03468	0.8
53.03941	2.6
55.01870	1.7
55.05518	44.0
55.10524	0.8
57.03447	26.0
57.07086	7.0
65.03936	2.8
66.73517	0.8
67.05512	90.6
67.99809	0.8
69.07075	45.0
70.11176	1.8
70.20709	0.9
71.04990	1.6
71.08619	2.4
72.08162	0.9
79.05061	1.7
79.05498	24.7
81.07067	87.7
83.04987	3.1
83.08630	25.3
85.06546	3.7
85.10230	1.0
91.05489	16.9
93.07059	23.5
95.04988	2.0
95.08617	66.8
97.06541	5.1
97.10175	12.5
98.20781	1.3
99.08122	1.8
105.07053	11.2
107.08607	14.1
109.06559	1.3
109.10169	25.4
111.08065	3.4
111.11730	2.7
119.08613	9.2
121.10160	11.8
123.08088	1.3
123.11736	10.8
125.09662	1.7
133.10139	9.5
135.11700	5.4
137.09563	1.7
137.13269	3.5
139.11244	1.0
145.10132	1.4
147.11720	5.7
149.13246	3.4
151.11215	1.1
151.14850	2.3
161.13258	4.7
163.14838	2.4
175.14812	4.1
179.14207	1.2
181.15828	1.0
189.16350	2.0
207.17523	0.9
245.22653	3.0
263.23819	5.5
337.27411	100.0
338.27866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02199	1.3
52.06142	1.7
53.03937	2.0
55.05517	25.9
55.94641	1.4
56.05851	8.6
57.03439	13.6
57.07067	7.5
58.03780	2.1
65.03949	2.0
67.05514	51.9
68.05839	16.8
69.06732	1.9
69.07079	31.8
70.07412	8.6
71.04987	2.4
71.08639	3.6
71.55656	2.1
79.05492	11.6
80.05821	5.1
81.03408	1.7
81.07065	59.0
82.07386	20.4
83.08633	16.8
84.08942	5.3
85.06549	1.7
89.92401	1.4
91.05510	9.8
92.05826	4.1
93.07051	15.6
94.07378	5.3
95.08619	37.1
96.08942	19.4
97.06513	2.7
97.10176	9.0
98.06950	1.4
98.10501	2.3
105.07056	8.6
106.07356	3.2
107.08637	7.6
108.08929	4.1
109.10162	20.3
110.10491	11.3
111.11703	2.7
119.08591	5.4
120.08907	5.4
121.10168	7.8
122.10478	4.4
123.11708	10.4
124.12014	2.9
133.10143	5.0
134.10471	4.1
135.11743	4.2
136.11992	3.5
137.13342	1.5
138.13559	1.7
147.11719	3.6
148.12048	3.0
149.13266	2.5
150.13652	1.9
161.13237	2.2
162.13620	2.3
163.14896	1.7
164.15150	2.0
214.56641	1.4
225.46770	1.4
246.22980	4.6
263.23746	1.7
264.24054	10.2
279.54352	1.5
305.62241	1.9
338.27737	100.0
338.34290	3.2
344.26413	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	339.108
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
54.51245	0.3
55.01888	0.5
55.05518	0.6
56.96571	1.0
63.02039	0.3
63.02389	0.6
65.03942	0.5
67.05506	0.9
69.03442	1.3
69.07079	0.3
69.64165	0.6
69.64565	1.6
70.06601	3.3
72.08173	1.9
74.03263	0.3
79.05518	0.9
81.03436	1.1
81.07066	0.7
84.04514	0.5
84.08170	1.3
84.96062	0.4
85.02931	1.6
86.09706	0.9
89.03921	4.9
91.05495	2.2
93.07072	0.5
94.12605	0.3
95.04981	1.1
95.08629	1.1
97.02902	1.7
98.97596	1.9
99.04479	0.7
103.05478	0.6
105.03426	1.1
105.07031	0.8
106.04189	0.4
107.04987	0.6
109.02920	0.6
109.06561	0.5
109.10113	0.3
110.06023	0.3
111.04466	0.4
111.05603	0.4
113.09655	0.3
116.07101	0.4
116.98610	0.7
117.03394	16.2
119.04928	0.6
120.08140	0.6
121.02876	2.8
121.06525	0.5
122.03205	0.5
122.06032	0.7
122.09674	0.4
123.08087	0.3
127.03950	0.8
129.06996	0.4
129.10262	0.9
131.04994	0.5
131.08591	0.4
131.10664	0.3
133.10143	0.4
134.03662	0.8
134.99622	0.4
135.04424	1.2
136.07576	1.1
137.06003	0.6
143.47993	0.3
145.02863	44.0
146.03455	0.7
147.04424	0.8
149.06000	6.5
150.05487	0.6
150.09178	1.2
158.99597	0.7
161.05983	0.3
161.13194	0.5
163.03943	1.4
167.07149	0.4
173.77567	0.3
177.05487	100.0
178.06229	1.5
181.06474	0.5
182.08214	0.5
186.05582	0.7
190.07756	0.4
191.08618	0.4
193.05087	0.4
195.06543	0.8
196.09627	0.8
203.03497	0.4
205.04848	0.4
205.06589	0.5
218.07309	0.5
219.08067	1.1
221.05968	0.5
224.09129	0.8
233.05850	0.4
234.06726	0.3
235.07635	0.6
235.14409	0.4
237.02846	0.4
243.06889	0.3
247.07561	0.6
249.03627	0.4
264.07745	0.4
267.10165	0.5
279.10291	1.7
283.42520	0.3
293.07944	0.7
307.09695	0.9
311.05292	0.3
339.07855	0.5
339.11603	0.9
339.14285	1.3
339.19296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1079
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
56.96574	0.6
61.88331	0.3
63.02418	0.4
63.65609	0.3
69.03417	0.5
69.89738	0.3
70.06606	1.4
70.82729	0.9
79.05513	0.4
79.61410	0.3
80.36885	0.3
81.07050	0.4
84.08173	0.7
85.02930	0.3
85.08518	0.3
86.09723	0.4
88.14671	0.3
89.03916	4.8
91.05499	1.1
97.02885	1.5
98.97598	0.9
103.05486	0.5
112.07639	0.3
116.07121	0.4
117.03389	16.9
119.04960	0.6
121.02836	0.5
122.06062	0.5
134.03607	0.7
135.04422	1.0
135.54961	0.3
145.02863	43.7
147.04459	1.9
149.06006	5.9
150.09123	0.6
153.01953	0.4
163.03893	0.8
164.07011	0.4
167.07089	0.3
177.05487	100.0
182.08212	0.3
186.05533	0.5
195.06555	0.4
196.09727	0.6
205.04857	0.7
224.09204	0.9
249.03889	0.7
249.07639	0.5
293.04443	0.4
339.07675	0.7
339.15686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1231
Annotation	CHEBI:67529
Peak:m/z	Relative Intensity
50.54680	1.1
53.03944	1.8
55.01887	2.9
55.05508	4.6
56.96549	3.2
57.03440	2.3
57.07069	1.5
65.03924	3.0
67.05509	11.5
69.03430	5.9
69.07082	6.2
70.06596	2.1
71.04993	3.2
71.55079	1.7
71.55490	1.9
72.08153	1.3
77.22073	1.0
79.05498	5.7
81.03432	11.1
81.07069	19.1
83.04973	3.5
84.04446	1.2
85.02923	6.9
85.06532	3.4
86.09704	1.5
89.03918	5.4
91.05486	9.4
93.03407	2.0
93.07040	11.3
95.04961	2.6
95.08620	11.0
97.02914	2.6
97.06532	4.5
97.10169	1.8
98.97603	1.8
99.04430	1.8
99.08071	1.6
103.05459	2.7
105.03407	1.3
105.07058	8.1
107.04958	4.5
107.08616	9.2
109.02863	4.3
109.06493	3.0
109.10165	10.7
110.03643	4.5
111.04434	3.7
111.08090	3.5
115.05452	3.3
116.36723	1.1
117.03399	16.6
117.07018	3.8
119.08575	5.3
121.02869	2.5
121.06447	1.5
121.10155	7.1
123.08057	1.2
123.11732	7.7
125.06047	6.9
125.09630	2.3
127.03910	3.3
128.06233	1.7
129.07011	2.3
131.04915	2.2
133.06485	1.4
133.10126	4.7
134.03618	1.8
135.04453	2.9
135.08073	1.6
135.11682	4.3
137.05988	7.9
137.09637	1.7
137.13269	1.6
139.11162	2.8
145.02861	40.9
145.04001	2.0
145.06520	1.9
145.10130	2.3
147.04376	2.1
147.11711	3.5
149.06001	6.8
149.09537	1.2
149.13263	1.7
151.11230	2.0
152.06145	1.5
153.05450	4.3
155.08469	1.2
155.10667	1.7
157.10222	1.5
159.08075	8.6
159.11702	3.2
161.05978	3.7
163.04001	2.3
163.11182	1.4
165.05600	2.4
165.06996	4.8
166.07802	1.4
167.07077	1.4
169.06598	2.0
171.04430	3.6
171.11653	1.3
175.07643	1.8
177.05492	77.4
177.06865	2.9
177.12753	1.9
178.06264	1.3
178.07784	5.0
179.08549	3.5
182.15527	1.5
185.06003	4.8
186.06802	6.8
189.05495	2.1
189.06938	7.4
190.07794	9.1
191.08568	13.3
192.09232	1.5
193.06526	3.4
194.07280	2.5
195.06483	1.6
195.08133	2.0
197.09604	1.4
202.07777	5.4
203.08583	6.2
204.05748	2.0
205.06534	9.6
205.09843	1.3
206.07303	6.4
207.08087	11.3
208.08847	7.8
214.06227	6.7
215.06952	1.8
217.06537	2.6
218.07317	12.2
219.08066	26.2
220.05374	1.5
220.08876	13.5
221.06039	13.6
221.09608	5.3
222.07069	2.7
223.07739	1.9
223.11217	1.5
225.09056	1.8
229.06479	2.3
229.08568	13.7
231.08156	2.8
232.05261	1.8
233.05963	4.5
233.09628	2.9
234.06758	4.5
235.07559	24.7
236.08386	19.0
237.09026	2.6
238.06288	1.3
238.09625	1.3
239.07149	1.9
245.06131	1.3
246.06845	6.1
247.07605	15.3
248.08275	5.2
249.05606	6.8
249.09166	7.5
250.06244	6.3
250.09923	1.9
251.07028	2.3
251.10693	32.1
253.08635	6.2
259.07605	1.5
261.05658	1.7
261.09204	4.2
262.06470	2.3
263.07068	11.4
264.07852	39.9
265.08539	15.6
266.05685	1.7
267.10144	3.4
271.55942	1.2
274.06259	1.8
275.07040	8.2
276.07898	1.7
277.05191	1.8
277.08621	6.1
278.05936	2.1
278.09387	10.6
279.06989	1.4
279.10193	30.9
280.07944	1.2
280.10919	4.4
281.08139	10.1
283.13693	1.3
289.08749	3.5
291.06775	1.9
292.07358	11.4
293.08051	10.1
293.11301	1.6
295.09674	2.6
296.10425	4.5
303.23071	2.2
306.08881	4.9
307.09668	61.9
308.10449	10.6
309.07520	3.1
309.11047	2.2
311.12814	31.6
321.09888	4.8
321.24268	2.7
323.09305	1.4
324.06259	1.6
324.09760	6.8
339.08911	5.4
339.12299	100.0
339.25412	2.4
340.12680	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	339.1554
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
56.96564	2.8
69.07093	0.9
69.66254	0.7
69.76083	3.7
70.06591	1.4
84.04494	1.0
84.08138	2.2
85.02908	1.5
91.05515	1.3
95.83281	0.8
96.91124	0.9
97.02942	1.1
98.97591	3.1
99.11210	0.8
105.03394	1.2
109.38670	0.8
112.99181	0.8
116.98656	1.2
120.08060	0.9
127.03949	1.2
128.98593	1.0
136.07584	0.8
145.02898	1.7
147.04346	1.0
149.01259	0.9
151.07323	0.8
161.10762	1.4
177.00882	0.8
177.05492	3.6
187.12312	1.2
188.13171	1.0
189.10320	2.0
200.09444	2.7
200.11156	0.9
201.10236	3.0
202.10875	1.1
207.11327	14.4
214.11110	2.3
215.08200	1.1
215.11832	2.9
216.12613	1.6
218.10570	1.4
219.11267	6.3
220.12085	3.5
221.12863	1.6
229.13358	8.8
231.11360	0.9
232.12019	1.4
233.09195	2.5
233.12892	3.5
234.13715	1.6
247.10728	0.9
247.14444	5.8
248.11696	1.5
257.12927	9.5
262.13159	1.3
267.10184	1.4
270.06607	1.6
275.13986	10.0
277.15448	1.4
285.12314	3.1
293.14960	6.8
303.13419	12.6
321.11557	0.6
321.14487	37.6
339.15555	100.0
340.15985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01871	6.9
56.96560	2.6
57.03432	6.0
61.02914	5.7
68.99819	2.0
69.03433	38.4
69.56948	12.5
70.06594	5.6
71.04991	3.9
73.02926	5.8
81.03423	19.8
85.02909	100.0
87.00832	61.1
97.02898	35.8
98.97585	4.1
99.04457	14.2
105.01872	86.1
105.03388	3.3
109.02888	29.1
120.08115	5.1
127.03925	72.3
145.02927	2.1
145.04970	34.3
159.02844	10.2
177.05411	3.2
178.05713	4.0
189.03938	4.5
213.03874	3.6
231.05037	24.6
249.06108	6.3
340.14371	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	340.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16144	1.7
53.03944	5.9
55.01872	5.5
55.05839	1.8
56.96569	2.0
57.03432	5.7
61.02922	7.1
68.99807	1.7
69.03085	2.5
69.03441	35.7
70.06591	3.0
71.04993	4.1
71.06438	2.6
73.02920	5.5
81.03432	22.0
84.04521	1.9
85.02914	100.0
87.00841	58.0
97.02906	30.8
98.97586	4.0
99.04454	10.9
99.55140	1.7
105.01880	83.0
107.98547	1.9
109.02898	27.8
120.08146	3.9
125.23059	1.8
127.03931	67.2
129.01926	2.6
145.04994	34.4
159.02901	10.5
189.03914	2.3
202.60614	1.9
213.04028	2.4
231.05006	22.8
249.06052	7.0
257.45142	1.8
258.70767	1.9
313.10965	2.3
340.14673	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	340.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.01870	6.9
56.53087	1.7
56.53730	1.5
57.03426	5.0
57.43250	1.7
61.02926	5.5
63.33240	1.8
69.03082	2.4
69.03438	38.9
69.41333	6.3
69.41760	6.4
70.06602	2.0
71.05010	2.1
73.02925	7.9
81.03426	22.5
84.08144	1.9
85.02916	100.0
87.00840	50.5
95.90768	1.5
97.02908	30.4
98.97592	2.0
99.03925	1.8
99.04476	15.8
105.01885	79.4
105.03385	13.7
109.02896	27.6
117.01826	2.8
118.03739	2.0
121.02954	1.6
126.05531	2.1
127.03936	72.5
129.01813	3.5
130.05013	2.3
145.02972	2.1
145.04980	34.6
146.03227	3.2
159.02902	10.2
168.89137	1.7
177.04063	1.9
177.05496	5.9
178.05826	8.0
189.03940	4.6
213.03992	2.0
214.20094	1.9
231.05016	17.8
249.06032	5.7
302.52524	1.7
340.08224	2.2
340.15445	2.2
354.23032	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	340.2849
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
51.73689	0.8
55.05265	1.2
55.05516	18.5
56.05039	1.4
57.07079	5.0
60.04532	35.1
67.05510	13.5
69.07076	24.7
69.33136	1.7
69.33528	6.8
71.05014	1.5
71.08626	3.0
75.75305	0.8
79.05489	5.3
81.07068	18.1
83.08620	18.0
85.27298	0.8
87.79530	0.8
91.05486	5.5
93.07044	5.2
95.08616	14.6
97.06538	2.2
97.10179	8.8
105.07042	5.9
107.08586	3.5
109.10169	9.9
111.08074	1.4
111.11736	3.5
119.08595	3.8
121.10161	3.7
123.11708	3.2
126.12822	0.9
128.14415	0.8
133.10152	5.6
135.11703	3.1
137.09628	2.8
137.13206	1.1
142.15924	11.7
146.40724	0.9
147.11694	3.8
151.11205	0.9
154.12288	5.2
161.13269	3.2
163.14789	0.9
165.12863	1.1
172.13272	4.0
175.14825	1.9
184.16975	1.5
189.16519	0.9
206.65013	0.8
243.86494	0.9
245.22739	3.2
262.25601	1.1
263.23761	6.2
280.26389	13.0
298.27463	14.8
304.52020	0.8
313.10934	0.9
322.27469	4.1
340.28497	100.0
341.09946	1.7
341.28928	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	340.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.5
56.96544	3.1
57.03445	1.2
57.07082	6.0
61.86440	1.0
62.06091	100.0
67.05511	13.1
69.07065	5.8
69.62861	6.7
71.08632	18.1
79.05503	6.0
81.07056	19.2
83.04984	2.1
83.08617	3.8
85.06544	1.3
88.07614	2.1
91.05481	5.6
93.07039	7.2
95.04980	1.3
95.08620	13.4
97.02877	1.5
97.06539	2.0
98.06057	2.1
98.20821	2.0
98.97585	2.2
99.08105	10.9
102.52673	1.1
105.07047	4.8
107.08598	5.0
109.06483	1.7
109.10152	4.6
110.03626	1.4
111.02045	1.3
119.08621	2.4
121.10127	3.7
123.08033	1.3
123.11710	2.0
131.08577	2.5
132.07329	1.3
135.11703	1.6
137.13222	2.3
145.10146	1.7
147.11674	7.1
149.01253	2.1
149.02325	4.1
149.13234	1.9
150.02614	1.5
153.12726	1.1
156.03607	1.7
163.14871	1.9
165.12721	2.2
173.13339	1.3
181.15845	1.4
193.04932	8.5
194.05321	2.8
224.20134	6.4
224.65459	1.5
225.15825	4.7
232.29097	1.1
242.21152	8.2
243.21150	2.3
257.26633	1.6
259.13849	3.5
261.22119	2.5
268.10400	1.4
279.23199	6.1
279.65286	1.5
317.19400	1.8
322.27423	68.3
323.25729	5.5
335.20663	2.0
339.77869	21.9
340.16489	6.2
340.19803	1.2
340.28354	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	341.1022
Annotation	Cornigerone
Peak:m/z	Relative Intensity
51.69698	1.2
53.03944	1.2
55.01852	1.5
55.05508	3.0
56.96555	3.3
57.03429	1.4
61.22293	1.2
65.03957	2.0
67.05499	4.2
69.03429	2.1
69.07059	3.5
70.06599	3.8
70.32636	4.5
71.05000	1.7
72.08157	1.6
79.05507	7.3
81.03423	3.8
81.07063	4.6
83.05003	1.9
83.08617	2.0
84.04506	4.8
84.08142	1.7
85.02915	1.4
85.06519	1.7
86.09698	1.9
91.05451	9.6
93.07043	4.9
95.04967	4.0
95.08613	4.6
97.02875	1.7
97.06476	2.0
98.97599	2.6
100.11228	1.4
102.05537	1.7
102.06168	1.2
103.05486	2.3
105.07034	6.9
107.04953	7.1
107.08566	3.1
109.10173	1.9
111.04417	1.4
113.16842	1.1
115.05478	2.7
116.07037	1.1
116.98592	1.6
117.07048	2.6
119.04967	2.3
119.08568	3.4
120.08038	1.7
121.06523	1.4
121.10148	4.1
122.03676	2.7
123.04462	2.0
123.11703	1.3
129.07019	4.8
130.05000	3.0
131.04932	3.3
131.08566	2.1
133.02826	1.8
133.06479	3.7
133.10063	1.3
135.04417	1.9
137.05984	41.6
145.06508	2.0
147.04416	8.9
147.08070	2.4
147.11726	2.1
149.06000	2.3
149.09644	1.9
151.03908	5.0
151.07536	2.5
153.05460	1.4
155.04941	1.5
157.06476	1.2
159.08070	1.7
160.05234	1.8
161.06012	10.2
163.03914	6.3
163.07596	1.5
165.07014	3.7
166.07773	1.3
167.07037	4.1
172.05128	1.4
174.06763	3.4
175.07538	12.5
176.04749	1.8
177.05537	2.1
177.07011	2.7
178.06256	2.6
178.07718	2.2
179.07088	1.6
181.06467	1.9
185.06091	1.3
187.07568	12.4
189.07137	2.4
189.09128	3.2
190.07753	1.4
191.07037	13.3
191.08560	3.0
193.06506	1.6
194.07272	20.8
195.08002	2.7
199.07620	2.4
202.07851	1.8
203.08640	3.0
205.06477	16.7
206.07236	2.5
207.08167	3.0
209.09599	1.9
209.94536	1.5
211.07550	5.3
213.09145	1.6
217.08664	3.6
219.08069	13.2
220.05229	6.8
221.06003	3.8
221.09642	3.3
222.06741	29.0
223.07491	2.8
224.08260	1.8
227.07068	1.6
231.08020	3.6
233.05984	7.5
234.06761	15.5
235.07571	13.6
236.08282	2.4
237.05351	2.8
237.09113	60.1
238.06253	2.7
238.09558	1.5
239.07039	6.5
241.04964	3.1
247.07602	9.2
248.04686	4.2
248.08382	3.9
249.05513	3.6
249.09294	3.0
250.03931	1.8
250.06297	13.3
251.06990	5.4
251.10815	2.4
252.07687	1.9
253.08551	3.9
254.09354	2.3
255.06387	3.0
259.07474	1.8
260.08951	1.8
263.07053	16.6
263.10159	2.4
264.07877	3.0
265.05237	3.6
265.08615	100.0
265.45932	1.2
266.05896	8.0
266.08786	6.8
267.06506	6.8
267.10184	4.2
269.08224	5.8
270.08743	1.4
271.09790	1.6
276.07925	2.2
277.08633	2.5
279.06699	1.6
279.10153	7.4
280.07285	3.8
281.08087	12.5
281.11725	4.8
282.08908	10.1
283.06113	1.5
285.11050	1.6
291.06537	18.1
291.10135	6.1
292.07184	1.4
293.04559	2.6
295.06015	4.5
295.09433	2.0
296.10349	1.9
297.07678	7.0
297.11163	42.9
298.08307	3.2
308.06784	6.9
309.07562	8.5
309.11215	7.0
310.08310	5.8
310.11588	1.7
311.05624	2.0
311.09268	1.8
311.12756	3.9
313.07224	2.8
313.10718	35.0
313.14346	1.9
323.09222	36.4
323.12878	3.9
326.07779	2.9
341.06726	2.0
341.10159	31.6
341.14063	7.5
341.16696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Dehydroxycubebin
Peak:m/z	Relative Intensity
55.05506	1.3
66.57717	0.9
67.05480	1.2
67.32320	0.8
69.03391	0.9
70.06566	1.3
71.55170	1.4
79.05489	2.1
81.03407	1.1
81.07049	2.0
84.04464	1.3
84.08133	2.7
85.02909	1.2
91.05474	10.0
93.07036	3.7
94.04191	2.8
95.04948	1.0
100.11272	1.2
103.05438	2.1
105.03422	0.9
105.07014	4.0
107.04956	4.0
107.08591	1.1
109.06544	1.3
115.05437	4.2
117.07031	4.3
119.04920	3.5
119.08564	6.3
121.06487	3.5
121.10117	4.1
122.03651	8.0
128.06203	3.5
129.07013	4.9
131.04942	2.5
132.05734	7.2
133.06462	4.0
135.04427	1.1
137.05980	100.0
137.89680	1.0
143.08403	1.0
143.70824	0.9
145.06497	4.2
147.04419	6.9
147.08052	8.0
149.05975	3.4
149.09584	1.6
151.03944	1.2
151.07555	3.5
157.06448	2.5
159.08075	2.1
160.05197	4.7
161.06003	9.5
162.06746	2.1
167.06985	1.0
167.10701	1.8
174.06775	1.5
175.07549	64.7
177.05597	1.5
177.09119	6.5
179.07039	2.1
179.08539	1.0
184.33420	1.0
185.06018	2.0
187.06053	0.9
187.07515	5.3
188.03346	1.4
189.07024	1.6
189.09084	2.5
190.07765	2.4
191.07001	2.1
191.08609	4.1
194.07260	5.9
199.07535	3.7
202.07803	3.0
203.08556	3.3
205.06509	3.8
207.07999	1.1
217.08585	2.4
218.07268	2.1
219.08078	8.4
220.05290	1.5
221.05960	1.3
222.06775	7.6
223.07423	1.9
231.08090	4.8
233.05960	1.7
234.06627	2.6
235.07512	3.8
236.08047	1.3
237.09134	16.2
239.06964	1.5
247.07643	4.8
248.04645	1.7
248.08316	3.1
249.09077	1.5
250.06268	4.8
251.06999	1.5
251.08347	1.1
251.10698	9.5
253.08644	1.2
259.07465	2.6
260.08655	1.9
263.06970	5.3
263.10629	1.4
264.07724	1.9
265.05338	2.0
265.08578	25.9
266.09369	1.0
267.06616	1.3
267.10156	1.2
276.07855	1.3
277.08661	1.5
279.10144	8.9
281.08151	2.2
281.11346	1.5
282.08911	2.4
290.56567	1.0
291.06464	4.6
291.10150	5.2
293.04532	1.4
295.09705	1.9
297.11206	12.1
308.06686	1.5
309.07651	1.2
309.11154	2.7
311.12793	7.4
313.10825	2.3
323.09058	11.5
323.12814	5.2
341.10056	4.2
341.13757	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99573	1.4
54.81230	1.1
67.05508	1.6
69.07077	2.4
70.61219	1.3
70.61558	2.5
79.05501	2.8
81.07047	2.3
91.05495	6.7
93.07069	1.4
94.04195	4.0
95.04994	2.0
95.08607	1.6
97.06558	1.2
98.21426	1.0
101.67958	1.3
103.05443	1.7
104.45255	1.0
105.03396	1.1
105.07048	4.5
107.04945	1.5
109.06518	1.7
111.04462	0.9
115.05472	5.1
117.07033	3.1
118.82874	1.2
119.08602	2.8
121.02914	1.6
121.06522	1.5
122.03683	8.2
128.06210	2.9
129.07028	3.8
131.04932	1.6
132.05724	3.1
133.06494	3.8
137.05991	100.0
145.06499	2.5
147.04407	2.0
147.08064	4.2
151.03879	1.5
159.08075	3.0
160.05251	2.6
161.05992	10.9
165.07056	1.3
175.06035	2.0
175.07570	39.5
177.09064	1.2
179.07021	1.6
184.05243	1.4
187.07561	7.4
189.09111	2.0
190.07806	2.3
191.07033	1.8
191.08620	7.4
193.08649	1.2
199.07579	8.6
201.99261	1.3
202.07837	4.8
203.08589	6.5
209.05763	1.2
218.07352	2.2
219.08063	10.4
220.08838	2.4
221.09645	1.2
229.07579	1.5
231.08121	6.3
236.08270	2.6
247.07603	3.4
248.08388	4.4
249.08966	1.6
251.10699	13.4
259.07541	3.3
260.08301	1.3
263.10745	2.5
264.07788	1.3
277.08578	2.6
279.10153	10.1
280.10748	2.0
291.07050	1.0
291.10135	5.9
292.11053	4.0
297.41125	1.1
309.11240	2.2
311.12930	8.8
313.10706	1.8
323.12598	2.4
337.20697	1.3
341.10101	2.4
341.13867	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	341.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.05511	11.2
56.96570	2.8
57.03437	5.0
61.83776	2.2
67.05493	8.4
69.03430	9.8
69.97799	2.3
70.06587	4.1
71.44848	2.3
75.04472	3.7
79.05502	26.3
81.03407	2.7
81.07059	7.7
83.04989	6.0
83.08645	2.8
85.02916	3.8
86.09704	9.1
91.05473	20.8
93.07056	83.4
95.04974	10.4
95.08617	4.0
96.41390	2.3
97.02882	3.4
98.97554	2.9
100.11262	8.0
103.05495	4.9
105.07055	12.0
107.04976	8.0
107.08607	23.1
109.06622	2.3
111.04440	5.1
111.08088	4.4
115.05436	3.1
119.08559	5.9
121.06537	3.7
121.10160	100.0
122.03638	3.7
125.05951	2.6
129.07040	7.1
130.12576	2.3
131.04944	4.7
132.05743	2.8
133.02849	4.0
137.05998	41.9
139.11171	4.7
147.04401	5.0
149.06030	3.0
149.09641	14.5
151.03987	3.7
154.08681	2.7
155.04791	2.6
159.08170	2.4
161.05997	8.7
163.03932	5.1
165.06966	3.9
166.08662	3.0
167.07050	2.8
167.10757	15.0
173.62141	2.4
175.07576	18.6
177.05479	3.0
177.06927	2.9
177.09244	2.8
187.07562	9.0
188.03343	5.2
191.07048	10.2
191.08578	4.5
194.07312	19.2
195.08011	2.3
197.12854	3.3
203.08530	3.3
205.06517	12.6
207.08179	3.9
211.07565	3.1
217.08617	3.1
218.07436	2.5
219.08109	5.8
220.05240	3.8
221.06026	3.3
222.06773	22.4
223.07555	3.1
227.67827	3.0
228.05647	3.7
233.06061	7.4
234.06856	11.3
235.07536	9.4
237.09140	40.0
247.07504	5.1
248.04732	5.0
249.05257	3.1
249.09094	5.8
250.06325	10.2
251.10860	3.5
253.38850	3.1
259.07593	3.7
263.07062	7.3
264.07581	3.8
265.05426	4.0
265.08636	69.3
266.05743	6.5
266.09274	2.8
267.10187	3.8
269.08148	3.6
277.22876	3.2
279.10269	3.5
281.08057	7.1
282.08905	6.4
291.06473	16.5
291.09866	5.0
295.06226	2.6
295.09671	4.2
297.07755	7.0
297.11139	33.6
308.07065	5.7
309.07510	6.2
309.11041	5.6
310.08374	3.8
311.12778	5.2
313.10675	22.0
323.09225	26.0
341.10349	23.4
341.14087	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	341.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01871	8.4
55.05511	3.0
56.05040	2.0
56.96567	5.8
57.03411	1.7
57.07080	2.1
67.05502	5.9
68.05029	5.6
69.03438	5.9
69.07085	12.8
70.06600	82.0
70.09723	1.6
71.04981	5.5
71.55514	1.9
72.08160	11.7
73.15649	1.5
79.05497	17.0
81.03432	3.0
81.07067	3.0
83.04967	2.1
83.06123	4.5
84.04043	2.6
84.04517	42.3
84.08136	5.8
85.02916	8.8
86.09713	6.4
89.03908	2.0
91.05443	3.7
93.07062	3.2
94.06579	2.2
95.04970	5.1
95.08620	4.3
96.04511	11.0
96.08157	1.7
97.02917	4.5
97.06541	100.0
98.06042	4.7
98.97603	5.2
99.04469	14.5
102.05552	2.2
103.05507	2.5
103.97044	1.5
105.07030	2.0
107.04961	6.5
107.08577	1.7
108.08101	4.4
109.06528	1.6
110.06097	2.9
111.04481	1.6
114.05534	19.1
114.09180	3.6
116.07101	62.1
117.03387	4.9
123.04408	3.3
129.07068	2.9
129.10182	2.1
130.05026	20.0
131.04913	2.8
133.02873	2.0
134.61031	1.5
135.04420	5.3
136.07596	5.7
137.05981	24.4
139.03926	2.4
142.04996	24.3
145.02863	6.2
146.03178	2.7
147.03365	2.6
147.04437	7.0
149.06015	3.4
151.03918	5.4
152.10712	22.6
154.08652	3.0
158.99646	2.8
161.01236	1.6
161.05946	3.7
163.03922	18.0
167.07069	2.9
174.06735	1.9
175.07539	3.1
177.00737	2.2
177.05496	13.6
178.05885	5.7
179.03412	7.0
179.05952	10.0
180.10210	38.8
181.04991	5.3
182.08144	43.5
182.12959	3.3
183.14995	2.3
184.09666	9.3
187.07530	7.5
189.09155	2.8
191.07034	10.4
191.08539	3.2
194.07352	2.2
195.09790	1.7
203.08626	2.0
205.06520	3.4
207.07886	3.3
211.07536	3.1
217.08669	4.3
219.08104	4.8
221.06015	2.6
222.06776	4.1
225.02383	2.7
226.10771	65.2
228.08669	31.1
228.10904	1.9
231.08105	3.5
233.05936	2.0
235.07648	4.8
237.00717	2.3
237.02963	2.1
237.09213	8.8
239.06938	2.8
241.05061	1.9
245.11346	48.9
247.07654	2.2
248.08391	3.6
249.05565	1.8
250.06293	3.6
259.07669	2.5
263.07001	4.3
263.10587	3.0
264.07953	3.3
265.08618	15.1
266.05786	5.2
267.06696	2.7
267.10092	4.7
269.08167	4.8
271.09665	2.4
272.08081	4.1
277.08624	3.8
279.10153	4.7
281.08182	8.7
291.06729	2.2
291.10168	4.8
295.06195	3.7
295.09531	3.7
297.07751	4.2
297.11264	6.6
308.06879	1.8
309.07584	4.4
309.11038	2.2
310.08499	4.5
311.12836	3.2
313.10675	25.7
313.23306	1.9
318.08517	3.3
323.09122	6.6
323.12741	5.8
331.82162	1.9
338.50327	1.7
341.09882	15.4
341.17114	5.9
359.03165	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	341.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01881	2.6
55.05521	9.1
56.42611	1.1
57.07080	5.7
67.05507	16.3
67.40132	1.0
67.83328	1.1
69.03432	6.9
69.07076	4.8
70.78288	1.9
71.04996	2.2
71.08292	1.5
71.08643	11.6
79.05499	14.3
81.07069	18.5
83.04984	4.7
85.06548	2.7
91.05486	15.2
91.99599	1.3
93.07046	21.3
95.04989	9.0
95.08624	16.4
96.05759	3.9
97.02910	14.1
97.06519	6.2
97.10179	1.3
99.08100	6.8
105.07035	8.3
107.04974	2.9
107.08650	6.3
109.06525	6.2
109.10155	5.1
111.04441	17.1
111.08106	2.6
113.06006	3.2
117.06968	2.2
119.08577	6.2
120.10859	1.1
121.06515	11.6
121.10166	10.4
123.04416	3.4
123.08068	6.0
123.11747	1.8
124.05208	3.5
125.05996	1.7
128.06192	1.4
129.06973	2.8
131.08574	17.2
133.06506	1.6
133.10146	2.9
135.08061	3.2
137.05962	2.9
137.09593	2.2
139.11140	1.6
143.08566	1.6
145.10127	3.0
147.08035	3.3
147.11679	1.5
149.09636	14.9
151.07547	1.5
151.11159	1.4
157.10205	1.5
161.13245	2.8
161.62466	1.1
163.11227	2.9
163.14603	1.2
165.12794	7.8
167.10681	4.2
179.14337	3.1
180.43427	1.2
181.12254	100.0
182.12564	1.7
189.12746	2.8
191.07005	1.9
191.14256	1.7
193.12285	1.5
207.13785	1.7
221.15407	1.4
234.36234	1.2
241.19366	1.2
249.15047	1.8
253.14366	1.4
266.05521	1.3
281.08249	1.4
301.55026	1.3
305.21109	8.3
307.22717	3.5
313.10721	3.9
323.22208	3.2
341.10251	4.4
341.21088	3.1
341.24771	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	342.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.5
59.05007	1.6
60.00848	1.5
61.02933	2.3
61.04555	1.8
69.03445	3.2
70.06606	3.4
70.62031	5.1
71.04994	3.2
71.08630	3.8
81.07050	10.5
84.04501	2.1
85.02913	13.8
88.58554	1.6
97.02888	4.6
98.97626	2.1
99.08098	20.9
105.03400	1.9
109.06522	18.1
111.05561	3.2
113.01786	1.6
116.07073	1.9
117.09144	100.0
127.03932	2.2
127.07566	38.0
139.05066	4.1
145.04962	2.2
153.06686	1.9
159.05029	2.2
161.06018	2.3
163.09680	24.0
195.11342	12.3
226.72522	1.6
324.15576	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	342.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01873	0.8
55.05507	4.3
56.05038	4.8
56.96563	2.6
57.03437	1.4
59.05008	0.6
65.03931	1.1
67.05511	19.1
69.07074	6.9
70.20538	2.3
71.05000	1.3
71.18081	0.6
79.05495	11.9
81.03414	1.3
81.07062	27.4
83.04989	1.7
83.08636	5.2
84.04510	100.0
85.02904	2.2
85.06557	1.6
91.05487	8.1
93.07048	15.0
94.07391	0.6
95.04984	2.0
95.08600	5.9
97.06535	5.4
102.05549	41.9
105.07045	3.1
107.04996	0.6
107.08604	8.2
111.08093	2.6
115.74622	0.7
117.07015	3.4
119.08609	0.9
121.06493	0.9
121.10128	2.8
123.11728	1.4
130.05013	58.5
131.08586	3.4
133.10124	7.2
135.08075	0.9
135.11703	5.3
147.11725	0.7
148.06059	59.1
149.09654	0.7
149.13274	10.8
153.01822	0.9
159.11707	5.5
167.14375	0.8
177.12766	4.1
179.57079	0.5
183.54959	0.5
185.09824	0.6
195.13824	11.3
211.15347	0.6
213.14902	3.2
231.02011	0.6
278.17651	0.9
296.18588	5.8
324.17874	3.0
342.04266	2.8
342.18756	1.4
343.11792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.05517	12.3
57.03441	1.6
57.07085	14.5
61.02924	1.6
69.03427	5.3
69.77198	3.2
69.77610	3.6
70.06601	9.2
79.05495	1.7
81.03442	2.0
83.08632	3.9
84.04504	1.5
85.02908	17.4
86.09702	3.2
89.05479	2.2
89.06042	40.5
97.02895	3.5
98.20816	1.6
99.04484	1.2
99.05620	1.6
101.09661	20.1
102.05548	1.4
105.03429	1.4
107.07079	40.5
109.02885	2.2
110.82291	1.2
114.47057	1.1
127.03918	2.3
132.81108	1.2
138.06297	1.3
145.04964	3.0
145.12270	1.3
149.27202	1.4
161.05989	1.9
163.13315	100.0
183.15021	2.6
195.11331	3.8
206.06793	2.0
223.07243	1.4
238.09471	2.3
266.08978	4.0
324.09497	1.4
342.10489	2.1
343.12204	5.0
343.17142	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	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.3
55.05514	15.4
57.03435	5.9
57.07085	15.7
66.87037	2.6
67.05507	25.8
69.07074	9.0
71.08622	7.3
79.05495	14.5
81.03400	4.6
81.07082	22.6
82.10730	2.6
83.04973	4.0
83.08614	9.1
85.06530	4.9
85.10173	5.2
90.58479	2.6
91.05486	15.6
93.07051	13.6
95.04988	6.7
95.08615	19.6
97.06535	5.4
98.21490	8.6
105.07043	16.3
107.04933	3.1
107.08604	15.1
109.06520	4.0
109.10159	19.4
115.25495	2.4
117.07068	3.4
119.08570	6.0
123.08098	7.3
123.11734	4.9
125.09676	4.0
133.10147	23.3
135.11659	3.4
137.09608	5.0
141.91058	2.7
145.10190	3.4
147.11699	3.8
150.10350	2.5
151.03979	3.3
151.11211	30.8
156.17471	2.5
161.05986	10.8
161.13196	3.1
174.18555	5.5
179.10687	5.1
183.13829	5.0
192.07849	2.8
202.59262	2.5
229.02893	3.2
238.46725	2.6
247.20734	3.4
247.71248	2.8
253.05424	3.2
257.19086	2.8
268.10480	4.3
275.20047	15.6
281.24780	23.9
283.26028	3.0
285.07672	3.3
293.21036	4.6
307.22699	5.1
313.07028	10.9
314.11075	5.3
324.32611	4.1
342.10660	5.3
342.26730	7.9
342.30829	13.0
342.37320	100.0
343.11847	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77368	1.2
52.53180	1.1
56.06284	1.3
56.96573	3.2
62.91065	1.1
64.19282	1.2
70.00018	5.8
98.97594	18.9
116.98635	10.8
119.01930	2.9
134.99663	1.6
137.05951	2.6
139.07520	2.0
140.48456	1.2
151.03911	3.6
158.99893	1.7
161.05988	9.7
167.07047	2.1
174.97699	3.8
177.00952	7.3
177.05460	1.8
191.07133	1.8
192.07822	4.1
192.98743	2.0
198.97823	2.2
201.01045	1.8
216.95477	2.7
216.98872	16.0
218.98495	5.6
219.02045	14.6
220.02232	2.5
221.01712	1.9
222.97791	1.3
234.96469	4.9
234.99931	17.2
236.00066	1.5
236.99434	7.9
240.99008	10.8
243.02074	4.4
253.01109	1.9
258.96890	2.0
258.99997	39.5
260.00098	4.7
261.03091	27.3
262.03314	3.7
264.98975	3.7
276.97623	8.6
277.01059	21.6
278.01089	2.9
279.00891	2.2
282.97549	2.4
283.00015	96.9
283.99982	8.9
300.97623	18.1
301.01019	100.0
302.01144	8.9
313.07086	4.6
313.10901	1.3
318.98691	23.0
319.02142	2.8
324.02621	2.6
325.01080	15.1
328.09631	2.3
342.98648	5.1
343.02142	68.5
343.11707	10.7
344.02292	4.6
360.99277	11.2
361.03674	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	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01872	1.2
55.05516	1.7
57.03430	3.3
57.07092	1.7
59.04995	1.2
61.02929	5.6
62.59870	0.8
67.05496	1.1
67.80241	0.7
69.03433	11.7
69.07080	2.2
70.06586	0.9
70.49342	1.7
70.49702	1.8
71.01364	0.8
71.04990	2.8
73.02917	2.7
79.05493	3.9
81.03433	5.0
81.07066	7.2
83.05000	6.4
85.02908	34.0
85.35072	0.8
86.09714	0.9
87.04471	2.3
91.03975	1.1
91.05487	3.7
93.07053	8.4
95.04974	16.8
95.08605	1.8
97.02888	10.5
97.06539	3.6
98.97579	0.9
99.04458	3.2
103.03894	0.9
105.07052	6.4
107.04961	1.1
107.08601	12.1
109.02881	3.1
109.06548	2.2
115.05499	0.8
116.07098	1.1
117.07021	3.4
119.08578	4.1
121.06520	3.8
121.10161	11.3
121.44098	0.8
123.08125	1.5
125.05990	10.0
127.03934	8.1
130.07808	3.1
133.06541	1.2
133.10118	0.9
135.11716	6.2
137.05940	1.3
139.17032	0.9
145.04985	6.9
145.10138	19.0
147.08040	1.3
161.06020	1.2
161.09648	1.7
163.11188	100.0
167.07071	1.1
175.11203	1.7
181.12238	15.7
183.10161	1.1
203.05412	1.1
205.12254	2.0
223.13341	1.6
252.59676	1.0
307.15500	1.8
343.13132	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.45838	2.2
53.03940	8.5
55.01859	6.5
55.05513	24.1
57.03439	11.2
57.07081	9.2
59.04990	6.7
65.03924	4.1
67.05512	29.8
69.03447	12.4
69.07059	8.5
69.80231	10.8
71.05000	23.8
79.05497	26.6
81.03447	3.5
81.07059	37.5
83.04964	5.8
83.08614	2.4
84.74398	2.1
85.06541	6.1
91.05487	45.0
93.07054	82.6
93.39743	1.9
95.04977	67.7
95.08613	100.0
97.06544	18.7
98.20802	2.4
103.05489	4.4
105.07043	99.5
107.04970	5.1
107.08604	62.4
109.06532	18.3
109.10176	4.2
111.08070	3.7
115.05482	7.4
117.07029	36.3
119.04959	2.1
119.06142	2.4
119.07804	2.7
119.08591	36.9
119.09364	3.6
121.06530	22.2
121.10150	21.5
123.08080	32.2
123.11702	3.4
125.05986	2.9
125.91830	2.0
128.06252	4.7
129.06979	5.9
130.07791	21.8
131.08586	12.5
133.06483	7.8
133.10149	19.8
134.07286	2.0
135.08061	30.0
135.11717	15.4
137.05943	9.1
137.09602	9.0
139.07553	3.7
141.07019	2.3
142.07759	5.0
143.08554	15.6
145.10138	98.8
145.11296	4.8
147.08043	17.3
147.11716	5.1
149.09615	7.9
151.03943	6.4
151.07555	60.5
153.07066	2.2
153.09109	5.7
155.08522	4.4
155.10626	2.0
156.09392	3.4
157.10143	12.1
159.08083	3.3
159.11688	9.4
161.05986	16.2
161.09605	9.8
161.13260	6.5
163.11197	68.8
165.09128	26.2
167.07120	2.6
169.10161	3.7
171.11737	6.7
173.09642	5.0
173.13295	4.7
175.11206	5.4
177.09116	8.4
179.07097	3.8
179.08574	3.0
181.10092	2.3
181.12228	3.6
182.10933	4.1
183.11740	5.8
185.13297	4.3
186.10295	2.1
187.11192	8.4
189.09099	3.4
189.12770	14.3
191.07106	3.1
191.14319	3.5
192.07840	8.4
197.13301	5.0
199.11145	3.7
199.14868	2.5
203.14255	11.6
207.10077	3.1
207.11876	3.2
207.13815	6.7
209.13324	3.1
209.15410	4.3
211.14822	2.3
215.14340	2.5
217.12201	4.2
221.13263	2.1
221.15363	36.6
225.16414	2.4
233.15405	5.5
241.15874	5.2
243.13852	3.0
263.16452	8.2
269.15250	4.9
271.17014	3.6
285.07590	2.5
286.19226	5.6
287.16559	3.8
287.19888	2.5
307.20908	2.7
313.07053	15.6
325.21606	15.4
328.09384	3.9
343.11758	26.4
343.22717	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03940	6.0
55.01861	7.3
55.05519	20.5
57.03421	10.9
57.07071	10.4
59.05006	6.5
65.03941	3.3
67.05509	32.9
68.71186	2.3
69.03414	10.8
69.07052	7.8
70.78706	5.7
70.79065	3.9
71.04998	26.3
74.02973	2.2
75.40733	2.1
75.60751	2.2
79.05503	27.2
79.24404	2.4
81.03409	4.8
81.07063	40.3
83.04980	4.6
83.08619	3.9
85.06533	5.4
87.57929	2.7
91.05482	43.4
93.07050	87.0
95.04971	66.7
95.08610	92.9
97.06536	16.4
103.05475	4.8
105.07036	100.0
106.34453	2.4
107.04967	5.8
107.08602	68.3
109.06530	18.6
109.10155	7.6
111.75468	2.4
115.05453	9.5
117.07032	36.1
119.08596	34.7
121.06521	22.0
121.10168	25.0
121.15907	2.6
123.08086	37.2
125.05988	2.7
128.06218	3.4
129.07031	9.0
130.07806	19.7
131.08563	11.5
133.06448	8.6
133.10188	16.7
134.47124	2.3
135.08063	30.0
135.11668	16.6
137.05939	5.2
137.09657	5.4
142.07762	3.1
143.08534	15.3
145.10135	93.1
147.08041	16.9
147.11687	5.5
147.93698	2.3
149.09602	8.8
151.07559	60.6
153.09108	5.6
155.08522	3.5
156.09393	4.7
157.10191	15.0
159.08023	3.9
159.11720	8.1
161.05989	4.1
161.09624	5.9
161.13252	3.3
163.11198	82.0
165.09113	20.7
169.10097	5.6
171.11710	7.6
173.09566	5.8
173.13239	3.6
175.11195	5.5
177.09129	6.1
179.07043	5.2
179.10674	3.6
181.10144	3.3
183.11597	2.6
187.11227	9.1
189.12790	14.7
191.14339	3.9
195.11674	4.5
197.13307	3.2
203.14336	12.3
207.10063	4.2
207.13795	6.2
209.15329	6.4
213.12767	3.2
215.14331	4.9
217.12131	3.1
221.15372	36.3
222.11154	2.5
223.14778	3.0
225.12813	5.6
227.14415	2.7
231.13983	2.9
233.15370	3.6
243.13959	2.6
263.16397	11.5
269.15393	5.1
274.19257	3.6
286.19302	3.3
307.20502	3.3
325.21597	12.3
343.11630	6.5
343.22672	92.5
344.22821	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	6.7
55.01863	7.7
55.05293	2.3
55.05518	22.6
57.03447	13.0
57.07069	7.9
59.05000	6.5
67.05208	3.3
67.05511	29.4
69.03432	10.1
69.07067	7.5
70.84517	5.1
71.04997	21.3
79.05496	29.8
81.03422	7.0
81.07060	27.0
83.04981	8.9
85.06543	4.0
91.05477	40.0
93.07052	71.0
95.04982	71.5
95.08611	89.8
97.06530	16.5
105.07043	100.0
107.05014	2.6
107.08604	61.4
109.06518	19.7
109.10198	2.6
115.05484	7.1
117.07032	41.1
119.08591	36.1
121.06495	18.2
121.10157	20.4
123.08087	30.9
128.06293	4.0
129.07024	5.9
130.07796	21.1
131.08516	12.4
133.06496	9.6
133.10138	20.9
135.08058	27.4
135.11717	23.7
137.05942	8.5
137.09622	7.0
142.07764	3.8
143.08566	11.4
145.06503	3.2
145.10138	89.2
147.08046	21.6
147.11681	5.8
149.09616	9.2
151.03893	6.6
151.07547	43.7
153.09196	3.1
156.09337	4.5
157.10133	10.4
159.11714	8.8
161.05962	20.6
161.09639	9.9
161.13264	4.9
163.11186	75.6
165.09123	21.9
167.07097	6.0
169.10136	5.5
171.11662	7.4
173.09608	5.3
173.13280	4.9
175.11252	5.4
177.09113	7.3
179.07092	4.8
181.10159	3.1
187.11159	6.6
189.12721	10.0
191.07098	3.0
191.10596	2.9
191.14407	2.7
192.07771	6.7
197.13318	3.2
203.14388	7.3
207.13809	7.3
209.13307	3.5
209.15317	3.3
217.12247	4.5
221.15366	29.4
233.15445	5.7
251.14316	3.4
263.16528	8.8
269.15326	6.5
274.19043	4.2
285.07520	3.8
286.19232	8.0
313.07202	15.7
325.21732	10.7
328.09467	3.1
343.11703	26.7
343.22702	89.5
343.26846	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00545	1.3
55.01861	4.3
55.05505	5.2
56.96562	6.3
57.03424	3.4
58.89487	1.3
59.04998	2.3
61.67482	1.4
67.01967	1.5
67.05522	10.2
69.03432	4.8
69.07096	7.1
70.06602	1.7
71.04980	4.0
71.15974	2.8
74.78099	1.4
79.05493	9.3
81.03425	3.3
81.07060	10.1
83.04991	3.2
85.02913	1.7
91.05495	13.7
93.07054	19.4
94.07368	1.5
95.04976	16.8
95.08621	17.2
97.06538	17.5
98.97601	1.6
103.05447	1.7
105.07047	18.1
107.04962	4.1
107.08599	13.0
108.05701	1.6
109.06548	7.0
109.10154	5.4
115.05457	2.7
117.07056	8.1
118.04136	1.6
119.04929	2.4
119.08640	9.1
121.06535	8.7
121.10159	7.6
123.08105	6.9
123.08840	1.4
124.05188	3.0
128.06178	2.2
129.07010	3.2
130.07819	2.2
131.08585	4.5
133.06471	5.7
133.10124	4.1
135.04413	1.7
135.08057	5.0
135.11679	4.2
137.06003	15.1
137.09622	2.7
139.07573	9.8
143.08565	4.4
145.06490	2.1
145.10124	18.3
146.03618	4.6
147.04408	6.0
147.08105	1.5
147.11673	1.7
148.05202	1.8
149.05994	1.6
149.09604	2.1
151.03932	23.0
151.07568	14.0
152.04494	2.0
153.63448	1.6
154.23225	1.7
157.06470	2.3
157.10184	2.1
159.08052	2.1
159.11674	3.8
161.06001	65.9
161.09593	2.1
162.03195	1.6
163.03931	2.4
163.11191	15.8
165.09169	4.3
167.07088	11.0
167.08397	2.3
167.10652	2.2
169.06453	3.0
169.10083	1.9
171.11661	3.3
173.09590	2.3
175.11295	1.7
176.04694	1.9
177.05547	7.6
177.09149	1.4
178.06291	3.4
179.07034	4.4
179.10616	1.7
180.09236	1.8
185.05965	3.5
185.09700	1.6
187.11209	1.7
189.05591	7.0
189.12802	2.0
191.07040	12.6
192.07838	21.7
193.08586	3.4
195.08145	2.6
197.06032	4.4
199.11324	1.9
201.09135	3.7
201.12752	1.5
206.05890	1.6
207.13828	1.4
213.05444	2.0
214.06291	5.0
215.07008	6.0
215.43677	1.5
219.06476	2.1
221.15402	6.4
223.07724	2.7
227.07144	1.5
233.15451	4.0
235.07465	1.4
239.06894	2.3
241.08662	2.2
242.05794	4.5
247.09985	1.7
253.04977	6.2
257.08148	7.0
263.16629	1.8
267.06549	2.8
269.07703	2.2
282.08817	2.1
283.09564	2.0
284.10565	1.8
285.07532	11.9
285.10324	2.1
295.05994	2.0
297.07388	1.8
298.04865	3.1
299.12671	2.1
300.09875	4.5
310.08255	1.8
311.09232	2.9
313.07089	37.3
315.12338	8.8
325.14383	2.2
325.21570	3.7
328.09396	10.0
343.08502	4.0
343.11795	100.0
343.15253	4.5
343.22714	15.5
344.12015	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01854	1.4
57.03436	2.3
60.04523	1.8
61.02914	2.6
65.11154	0.7
69.03433	7.5
69.65793	4.2
69.66203	1.3
70.06586	2.8
73.02925	1.4
74.32868	0.9
81.03407	3.7
85.02913	21.4
87.04457	1.2
91.03957	1.2
91.05484	16.2
96.04422	0.7
97.02894	6.7
99.04462	1.1
103.05501	1.7
104.67576	0.8
107.04964	1.4
109.02887	2.3
119.04955	42.5
121.06495	1.7
123.04439	5.7
127.03901	3.1
136.07590	86.1
145.04958	4.0
147.04408	2.7
148.07503	0.9
150.07611	0.8
164.07056	2.2
165.05466	9.7
178.08569	1.6
182.08144	100.0
224.09164	4.2
308.11230	2.1
326.12402	2.1
327.32791	0.9
344.12747	0.9
356.76190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
57.03432	1.5
61.02913	1.5
64.21224	0.7
69.03421	3.1
70.06607	4.2
70.98771	1.3
70.99097	0.7
73.02908	0.7
77.75315	0.7
81.03426	1.2
85.02910	16.9
86.09703	2.4
91.05469	4.7
94.68628	0.9
97.02882	4.3
98.97592	0.9
105.03365	1.1
109.02834	1.2
116.07107	5.4
118.81309	0.6
119.04948	17.0
123.04465	1.8
127.03925	2.4
145.04970	4.0
147.04417	100.0
148.04796	0.7
161.06052	1.0
165.05482	46.2
180.08647	1.2
183.20993	0.7
201.12422	1.9
309.10043	0.8
344.12454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.59860	0.6
55.54905	0.6
56.11131	0.6
56.63079	0.7
56.80948	0.6
61.02920	1.5
65.03942	0.6
69.03448	3.7
70.06586	1.5
70.59156	2.1
71.04964	0.7
71.68002	0.7
81.03417	1.5
85.02424	1.1
85.02911	16.8
86.09702	0.9
87.04453	0.7
88.78834	0.5
90.82401	0.6
91.05486	5.4
97.02911	3.9
98.97617	0.9
109.02872	2.0
113.72224	0.7
114.74403	0.6
116.07133	1.6
119.04956	17.6
123.04432	2.9
124.03934	1.3
127.03924	4.0
145.04993	4.0
147.04420	100.0
163.05997	0.9
165.05489	55.6
180.08629	0.7
186.57413	0.6
194.04596	0.6
219.40646	0.6
303.47510	0.7
314.07419	0.9
344.12207	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
53.03947	5.4
55.05522	9.8
56.14742	3.7
56.96576	9.6
57.03447	9.0
67.05505	20.2
69.07081	28.2
69.24504	8.8
69.24913	30.5
71.05005	8.6
79.05504	27.4
81.03436	11.5
81.07062	21.6
83.04994	6.1
91.05464	18.2
93.07057	18.5
95.04971	19.3
95.08643	8.3
97.06541	100.0
98.06879	5.4
98.21479	7.1
99.08084	4.3
105.07082	9.5
107.08609	8.4
109.06550	4.5
109.10176	6.9
115.07589	19.9
117.07015	5.3
119.08624	10.4
121.06588	4.8
121.10167	4.1
128.32370	3.8
131.08585	7.9
133.84212	3.6
135.11679	9.6
137.06030	4.4
141.22533	3.7
145.10118	4.8
147.04430	4.8
149.13344	4.9
159.11673	7.4
161.06053	7.8
162.06345	5.5
177.12785	10.5
199.14711	3.6
261.06131	3.9
291.19592	5.0
314.07327	7.0
344.12106	25.7
344.15680	5.2
368.23389	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	345.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46341	0.8
56.96547	1.0
63.05634	0.8
67.05513	1.3
69.03419	1.5
70.06584	5.9
71.54279	1.7
72.08162	2.2
81.03410	1.7
83.06085	2.3
83.08617	1.3
84.04491	3.5
84.08125	3.6
85.02898	2.5
86.09721	5.3
91.05470	0.9
95.04951	0.9
98.97586	4.2
101.00884	3.9
107.04895	0.8
109.06546	0.9
113.00815	0.9
115.02415	0.9
116.36127	0.7
116.98608	1.3
119.01940	4.4
119.08614	0.9
127.02409	1.3
129.10272	1.0
130.05031	0.9
131.01921	2.3
133.03471	1.0
136.07581	1.0
137.05954	3.6
143.01880	2.0
145.03445	2.6
146.11737	2.8
152.86328	0.8
154.09824	1.8
155.01851	2.0
155.08150	1.3
158.99652	1.8
161.02930	4.0
163.11156	1.3
167.07098	1.4
173.02948	2.2
182.09267	1.7
185.02950	1.5
186.12401	1.1
187.00943	1.3
191.06981	1.5
199.08176	1.0
203.04034	1.3
214.08450	0.8
227.05208	1.0
257.97220	0.9
259.11465	2.4
271.04144	2.1
277.11420	3.4
295.12265	1.1
301.12567	19.3
313.10825	1.1
327.20270	1.3
345.11542	100.0
346.11807	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	345.116
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
52.64060	0.7
54.72458	0.9
56.96565	1.0
67.05497	0.8
69.03450	0.7
70.06590	1.1
70.45447	0.8
71.05833	1.7
72.08162	6.8
74.66199	0.9
78.58604	0.7
85.02920	1.1
86.09701	3.2
89.06021	0.8
97.02913	0.7
98.97585	1.6
101.00883	3.6
105.03423	6.0
107.13527	0.7
110.97598	1.1
119.01906	3.4
127.37213	0.7
131.01915	1.2
132.65186	0.7
143.01874	1.4
145.03482	1.0
148.66821	0.7
155.01868	1.1
157.03477	0.7
161.02968	1.4
163.00739	0.8
169.09673	0.8
186.12352	0.8
187.00914	1.5
227.05249	1.4
259.11539	3.0
271.04236	3.1
277.11484	1.2
301.12579	20.5
345.11588	100.0
346.12119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05511	2.6
56.96563	2.4
57.03428	1.5
66.27795	0.8
67.05474	0.9
69.03432	2.5
69.07084	1.2
70.06589	4.2
71.04987	0.9
71.28290	1.9
72.08160	19.8
73.42678	0.8
79.05492	0.9
82.06618	0.9
83.06135	1.4
84.04514	4.3
84.08135	2.4
84.96020	0.7
85.02922	4.9
86.09711	12.4
87.05601	1.2
91.05499	1.3
95.04963	2.1
97.02885	1.7
98.02429	1.4
98.97598	5.2
98.98205	0.8
101.00896	3.8
103.03922	1.2
103.31189	0.9
104.07081	1.8
105.00093	1.1
105.03408	17.4
105.04488	1.1
109.02926	1.1
110.97549	1.0
116.98628	2.1
119.01917	5.6
119.16576	0.8
120.99552	2.0
121.06548	2.3
123.27232	0.8
127.03965	1.1
127.08707	3.0
127.21264	0.9
129.10262	1.4
131.01920	1.3
131.04944	1.0
132.10188	1.0
137.05977	1.0
141.10255	3.1
143.01906	1.8
145.03505	1.3
151.00656	1.8
155.01942	1.3
155.07010	1.0
157.03481	1.0
158.99666	2.1
161.02997	2.0
167.07050	1.0
169.09752	2.5
173.01262	0.8
173.02959	1.9
177.00829	0.9
177.02264	1.5
184.09689	1.1
185.02907	1.1
185.04385	0.9
186.12378	8.2
187.00897	2.9
190.28020	0.8
195.03291	2.7
196.14560	1.2
200.14012	1.4
214.11902	2.8
219.01740	1.3
222.02698	0.8
223.02800	2.0
229.01961	1.2
259.11551	3.4
265.07516	0.8
271.04376	1.7
272.08011	1.2
277.11185	2.4
283.08850	0.9
283.11890	0.8
301.12625	20.6
301.17816	1.1
319.12720	1.0
345.11594	100.0
345.15271	10.8
346.11835	1.6
350.25449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95952	3.1
54.70552	2.9
55.05502	6.5
56.96554	11.5
60.04507	12.0
67.05489	3.2
71.27883	6.4
81.07063	4.5
84.96008	3.2
85.02930	5.0
86.09709	58.1
87.05577	8.1
98.20707	2.9
98.97585	100.0
107.08606	3.4
110.97576	3.7
112.99146	16.7
116.98624	34.7
128.98552	4.4
131.00148	20.9
134.99654	3.1
144.98097	3.1
146.11760	24.8
149.01173	9.8
158.99669	32.5
173.01233	40.0
173.12878	42.1
177.00722	18.0
184.97577	4.8
191.02298	28.0
195.02855	10.4
196.03180	10.0
201.00697	11.9
201.12381	9.8
202.98624	11.2
219.01791	13.7
244.99704	39.1
263.00757	8.8
268.01254	3.3
300.16000	4.3
345.31027	7.3
346.15912	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	346.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91785	1.5
52.81348	1.3
53.03936	3.0
55.01870	2.3
55.05501	3.7
55.56700	1.2
56.96565	4.5
57.03432	5.2
57.07065	1.5
60.04529	3.3
61.02930	9.7
62.06106	1.4
62.71468	1.1
63.47769	1.2
67.05476	1.6
69.03432	17.1
69.07059	5.0
70.06592	7.5
71.04987	4.0
71.54256	1.9
72.08155	15.3
73.02908	2.8
73.08475	2.5
79.05495	3.5
81.03426	8.8
81.07065	2.5
84.04511	20.1
84.08139	4.1
84.96011	1.6
85.02911	100.0
86.09711	50.1
87.04474	2.9
87.10047	2.1
91.03952	5.3
91.05477	2.4
93.07063	2.6
95.04964	2.3
97.02896	26.8
98.06062	1.2
98.97601	10.9
99.04451	4.1
102.05581	6.2
103.05462	12.1
104.07121	14.5
105.03408	3.0
107.04992	2.9
109.02893	7.1
116.07081	1.7
116.98626	4.6
120.08163	1.7
121.06516	80.7
124.61291	1.4
127.03918	20.8
127.08658	2.8
128.09087	1.9
129.06631	3.3
131.04926	2.8
134.28683	1.2
134.99689	1.6
139.07526	2.2
141.10210	2.2
144.06567	5.9
145.04967	36.9
149.05994	4.8
157.13408	6.9
158.99612	1.7
162.07616	9.8
162.08856	1.8
163.05991	5.7
167.07082	8.2
170.10107	2.5
170.11691	2.0
173.01205	2.4
177.00729	2.3
185.12817	2.4
186.12378	5.3
187.12671	5.7
197.12852	5.9
197.14719	1.6
200.07312	1.2
201.12398	1.8
201.14180	2.3
206.02541	1.3
210.14948	2.1
215.13916	9.9
219.01663	1.8
222.08356	1.4
243.13362	1.7
244.99725	2.2
302.12753	1.8
302.19788	1.6
326.31366	1.5
328.20789	2.1
346.11896	8.3
346.18286	1.5
346.22174	5.0
346.25839	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	346.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78489	1.7
53.03943	3.8
55.01880	2.8
55.05520	1.7
56.05039	2.1
56.96563	5.0
57.03436	4.5
60.04525	4.0
61.02932	8.1
67.05505	2.3
69.03444	16.5
69.07074	4.6
70.06612	10.2
70.66978	5.0
71.04994	3.7
72.04530	1.5
72.08162	18.4
73.02911	4.0
73.08498	3.1
79.05503	4.7
81.03420	10.0
81.07060	2.2
84.04510	28.7
84.08162	6.4
85.00130	1.7
85.02914	100.0
86.09715	78.4
87.04461	3.6
87.05575	1.8
87.10047	3.4
88.04015	1.7
91.03963	4.9
91.05476	2.4
93.07064	2.4
95.04962	1.8
96.84429	1.7
97.02892	28.0
97.06516	1.9
98.06049	2.0
98.97598	11.3
99.04476	4.0
102.05564	9.8
103.05486	12.3
104.07122	15.4
105.03398	2.9
106.03719	1.9
107.04990	3.0
109.02890	6.7
116.07076	3.0
116.98648	5.0
117.05593	1.5
120.08115	1.8
121.06521	77.2
127.03931	25.0
129.06635	4.3
129.10249	1.7
131.00246	2.0
131.04953	3.4
137.06018	3.4
139.07581	3.5
144.06569	12.2
145.04977	34.5
149.06020	8.4
151.03946	2.0
152.47835	1.8
157.13388	17.9
158.99683	4.2
161.03067	1.7
162.07640	20.5
163.06068	6.0
167.07072	11.2
170.11926	1.6
173.01285	2.3
177.00774	3.4
179.25661	1.6
184.09776	1.7
185.12875	4.9
186.12390	4.1
187.12732	4.0
197.12865	6.3
199.18077	2.7
201.12473	2.2
201.14378	1.9
210.14903	2.3
215.14017	11.8
219.01804	2.3
237.02834	1.8
243.13425	2.8
329.11523	1.8
346.22305	7.7
346.26031	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.7
57.81329	8.4
67.05506	27.8
69.07081	18.4
69.10764	10.8
70.99337	21.3
73.57837	9.0
79.05495	20.7
81.07060	37.3
82.01946	9.3
83.08630	15.3
87.19939	10.0
91.05495	22.6
93.07022	20.5
95.08644	19.2
97.10177	10.4
98.97585	100.0
107.08587	21.7
109.10155	15.1
112.99171	19.5
116.07141	8.2
116.98614	21.0
119.08604	9.2
131.00151	16.9
131.79405	9.2
133.10130	13.2
134.99895	9.4
147.04382	48.2
148.04778	17.9
149.13232	14.7
158.99687	26.7
159.11787	9.4
173.01242	27.7
189.11194	13.2
191.02380	11.5
195.13890	28.2
201.00688	16.2
213.15010	18.7
219.01910	9.4
219.17566	9.1
223.55055	8.5
225.18166	9.0
239.02231	10.5
244.99803	28.8
275.20151	34.3
315.60825	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	347.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	4.4
62.31728	0.6
67.05480	0.8
69.03390	0.7
70.06544	1.2
70.36459	2.4
72.08117	1.4
79.05468	1.0
80.28034	0.5
81.07033	1.2
84.08099	0.7
84.52516	0.5
85.02897	0.8
85.06509	1.1
86.09673	1.0
91.05470	1.0
93.07014	1.0
94.06521	0.8
94.28288	0.6
95.04933	1.3
97.06479	2.0
98.16538	0.6
98.97575	3.2
107.04920	0.7
108.04408	0.9
110.97490	0.7
116.98566	1.8
117.06979	1.0
120.08070	0.7
121.10059	0.8
122.06044	0.7
130.06525	1.2
131.00145	0.7
134.05962	0.7
136.62489	0.6
137.05913	1.2
138.05449	1.1
144.08060	1.1
146.05966	0.9
148.03902	0.7
150.05505	1.0
152.03395	1.3
156.08055	0.8
158.06013	0.9
158.99675	1.2
160.03963	1.8
162.05424	1.2
163.03934	0.8
165.07135	0.7
167.07291	1.1
168.06630	0.7
168.08064	0.8
170.08278	1.3
170.09604	0.9
171.09200	1.5
172.07552	1.8
173.12965	1.9
174.13246	1.3
176.07095	1.6
177.00661	0.8
178.05067	3.5
182.09648	1.8
183.09177	1.2
184.06224	0.8
184.07654	1.2
185.07095	3.1
185.10715	1.8
186.09184	1.6
187.05040	2.2
195.09174	1.6
196.07562	1.1
197.07068	1.3
198.07777	1.3
198.09402	0.7
199.08710	8.4
199.12399	0.9
200.09357	0.9
201.06639	5.9
201.10269	1.9
205.06108	1.6
209.10818	1.2
210.09196	1.9
211.08655	2.8
211.12244	0.9
212.07062	0.8
212.09163	1.2
212.10970	1.0
213.06664	6.8
213.10233	7.6
215.11775	0.7
219.01764	0.7
221.12701	0.6
222.07864	1.3
223.08643	1.9
227.08186	9.3
227.11700	3.7
228.08517	0.9
228.10396	0.8
229.09816	4.6
231.07697	4.4
237.10258	3.4
238.08630	2.7
239.08113	2.6
239.11931	1.7
241.09731	9.1
243.07669	1.3
243.11241	1.2
244.08441	0.8
245.09184	2.1
250.07318	0.9
251.08208	1.5
255.07632	12.5
255.11244	8.1
257.09216	3.3
257.12756	1.1
259.07077	0.9
259.10764	2.1
265.09763	4.9
266.08105	0.8
267.07605	2.4
267.11087	0.8
269.09232	10.7
269.12369	1.0
273.08664	6.1
273.12061	1.3
275.10226	1.1
275.13858	0.9
283.07501	1.7
283.10776	26.2
284.09076	1.2
287.10199	3.8
293.09283	7.5
301.11807	6.7
311.10287	46.1
312.10583	0.9
315.13354	2.3
319.12949	3.9
329.11343	90.7
330.11710	1.8
347.12411	100.0
348.12708	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	347.1239
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
54.11493	0.5
55.01883	4.2
55.50976	0.5
71.11880	1.3
102.65140	0.6
113.64837	0.6
117.50803	0.6
119.25671	0.6
124.11662	0.6
134.06046	0.9
138.05516	1.4
152.03462	1.4
156.07983	0.8
160.03963	1.4
162.05568	1.4
167.07333	1.0
168.08110	1.0
170.08311	1.1
171.09236	1.2
172.07587	0.8
176.07069	1.3
178.05029	2.4
182.09650	0.7
183.09271	0.9
184.06258	0.9
184.07672	1.2
185.07135	2.3
185.10687	1.2
187.05013	2.6
190.04903	0.6
195.09314	1.0
197.07115	1.8
198.07755	1.0
199.08696	5.7
199.12221	0.7
200.10918	0.9
201.06627	4.5
201.10234	1.7
209.06961	0.8
209.10840	0.8
210.09209	1.6
211.08687	2.1
212.09294	0.8
212.11086	0.6
213.06595	7.6
213.10223	5.3
215.08195	0.9
215.11774	0.8
216.06805	0.5
223.08777	1.1
225.06642	1.2
227.08154	8.7
227.11751	3.7
228.06732	0.9
228.10371	0.8
229.09793	3.8
231.07664	4.2
237.06705	0.8
237.10303	3.1
238.08629	2.5
239.08180	1.4
239.11818	1.3
240.10173	0.7
241.05980	0.9
241.09772	5.9
243.07767	1.0
243.11435	1.0
245.09282	1.5
251.08205	1.3
255.07709	13.0
255.11322	8.6
257.09250	2.0
257.12943	1.4
259.07053	0.8
259.10757	0.9
265.09796	4.9
266.08142	0.9
267.07587	2.8
269.09216	7.7
273.08734	5.2
273.11621	0.8
283.07867	0.6
283.10791	21.3
287.10159	2.8
293.09244	6.7
301.11844	4.6
311.10287	42.2
319.12924	2.8
329.11346	71.9
330.11755	1.5
347.12454	100.0
347.16681	8.2
348.12781	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	347.1239
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01863	1.9
55.14643	0.6
65.03951	4.9
67.05507	5.6
68.05017	0.8
69.03424	1.8
69.07021	0.8
70.06607	5.6
71.30543	0.6
71.34184	1.3
72.08154	1.3
84.04475	0.8
84.08159	3.2
85.99717	0.8
86.09696	2.3
91.05470	1.0
92.04476	1.0
92.05010	11.7
93.07024	1.2
94.06564	2.0
95.04962	1.9
96.04523	1.8
98.97583	1.2
110.06076	1.4
120.04464	7.7
122.06047	2.5
129.10208	0.8
134.06035	1.8
136.07576	2.4
138.05499	12.8
143.08519	0.8
146.06035	0.9
148.03951	1.0
153.07007	1.1
157.29904	0.6
158.09608	0.7
162.05556	1.2
164.07085	8.9
164.08415	1.0
166.05016	11.1
166.06299	1.0
168.08086	1.1
169.08859	0.7
170.05856	0.6
170.09666	3.2
172.07614	1.4
176.07121	1.5
182.08179	9.8
183.06779	1.9
184.07640	1.5
184.09694	0.7
184.11336	0.9
185.10820	1.9
186.09171	0.8
187.08682	1.8
196.07579	2.7
197.08466	0.9
197.10692	0.8
198.07607	1.0
198.09184	11.2
199.08673	4.8
200.09402	2.0
201.10292	1.2
208.06084	2.6
209.10764	0.9
210.07889	1.3
212.10838	3.3
213.06673	2.5
213.10239	10.1
214.08687	3.0
214.10895	1.2
215.08185	2.0
222.09146	1.0
223.08891	0.8
224.07053	1.1
226.08688	19.2
227.08101	6.2
227.11819	2.7
228.08928	1.4
229.09770	1.9
231.11298	1.5
237.10213	0.9
238.08603	1.2
239.11760	0.7
240.10318	3.5
241.07286	1.6
241.09744	33.2
242.08286	1.3
242.10522	3.3
255.11322	5.9
256.09842	4.7
257.09250	0.9
258.11209	1.2
259.10822	6.9
260.11508	1.8
265.09705	3.3
266.08221	1.5
267.11334	1.9
268.09720	8.0
269.09241	8.1
271.10825	3.5
273.12460	1.3
275.10321	0.8
283.10818	7.2
284.09232	3.2
286.10776	5.7
287.07236	1.3
287.10297	16.8
301.11868	15.9
311.10345	4.7
315.09778	5.7
319.12958	5.9
329.11264	6.2
347.12418	100.0
348.12585	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	347.1318
Annotation	Nordercitin
Peak:m/z	Relative Intensity
53.03943	1.4
54.41992	0.9
55.01878	1.0
55.05499	2.1
56.96572	2.0
57.03421	1.2
58.32618	0.8
68.76111	0.7
69.03424	1.9
70.06597	1.7
70.24887	2.4
70.25291	1.3
70.98100	0.9
81.03412	0.9
81.07056	0.7
84.08150	1.3
84.96010	0.8
85.02934	4.2
86.09699	1.4
95.05001	1.6
95.42077	0.7
97.02890	2.7
98.21473	0.9
98.97563	4.8
104.09740	0.8
105.03394	10.3
105.04487	1.1
106.03717	1.1
115.03889	0.9
127.03978	1.2
128.98517	0.9
157.02171	0.8
167.06833	2.2
184.01057	0.8
185.04253	3.9
185.07883	12.8
203.05287	9.6
285.13168	5.6
301.12592	76.0
326.55615	0.8
327.78900	0.9
329.11719	1.5
347.13135	100.0
347.16669	5.0
348.13654	1.7
365.05380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.168
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
50.83605	0.3
56.04652	0.3
56.87007	0.3
56.96553	0.4
69.81199	0.8
69.81602	0.8
76.40630	0.3
82.89782	0.3
85.02911	0.4
90.10475	0.3
98.97572	0.5
102.54543	0.3
127.03879	0.3
128.28592	0.3
137.05989	0.4
143.08592	0.3
145.14285	0.3
151.03889	0.4
185.11472	1.8
197.03485	0.4
198.45424	0.3
311.10135	1.0
329.11349	1.4
347.16769	100.0
348.17188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84557	2.0
55.01858	3.1
56.05042	9.0
56.96570	5.0
57.03437	2.4
58.06596	6.5
60.04535	13.1
69.03423	2.4
69.07072	2.4
70.02964	3.5
70.06585	5.1
71.03929	4.5
72.08156	5.6
74.02431	2.2
74.06087	31.9
76.45507	2.0
83.06100	3.9
84.04498	19.3
84.08128	10.9
84.96033	3.2
85.02889	3.0
85.04037	2.1
86.09713	100.0
87.05592	14.3
95.06021	1.8
98.02407	3.3
98.97578	16.2
99.05634	2.2
100.07629	2.5
101.07130	3.4
110.97569	2.5
111.05553	4.8
112.11218	2.0
116.98611	8.6
126.05518	11.5
127.03857	2.8
128.98602	2.1
129.06628	9.9
129.10249	6.2
132.10229	11.3
134.99623	3.1
135.73273	1.8
136.03944	3.2
141.13847	4.1
143.08153	11.8
144.98044	2.2
147.11334	2.5
154.05022	3.3
158.99739	4.5
159.07628	2.6
162.99123	2.3
170.09262	4.7
171.07654	14.6
173.12854	6.3
177.00694	3.9
186.16757	2.4
188.10353	15.0
197.12863	5.1
198.08777	4.4
201.12320	9.4
205.00214	3.4
215.13928	7.4
216.09818	22.1
219.13414	4.3
221.03020	2.0
228.13432	4.2
233.14914	8.7
241.09691	2.0
243.13530	2.9
284.16068	7.6
312.15579	3.3
329.18188	17.8
330.16589	5.9
347.04144	2.1
347.09473	3.7
347.13110	7.9
347.16525	3.7
347.22906	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	347.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	5.2
69.07047	2.9
69.34219	4.3
69.34624	15.6
77.01991	2.3
79.05489	3.3
81.07066	4.9
84.79276	2.6
91.05494	4.2
93.07021	3.8
95.08588	5.1
105.07057	2.6
107.08565	3.0
115.71783	2.3
117.07049	2.4
183.69606	2.4
191.43524	2.3
205.85320	2.4
329.20892	63.4
329.24649	5.2
347.21921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10635	4.2
53.02864	4.8
53.03940	6.0
55.01862	5.4
55.05508	16.1
56.78792	3.3
56.96556	17.0
57.03430	8.9
57.07061	8.1
59.04998	7.3
59.31715	3.5
59.81823	4.0
60.53593	3.8
61.02909	3.9
65.03922	5.1
67.05511	29.9
69.03420	11.1
69.07066	11.1
69.96609	5.9
69.97022	15.0
70.68367	3.6
73.02930	5.6
79.05489	25.4
81.03397	11.0
81.07065	37.7
83.04970	9.5
83.08633	5.9
85.02900	6.8
91.05496	40.8
93.07052	62.4
94.22921	3.7
95.04972	16.5
95.08606	15.8
97.02876	7.8
97.06522	12.6
98.97621	4.8
103.05492	4.4
105.07031	35.3
107.08603	40.2
109.06533	22.6
109.10146	20.5
117.07049	6.9
119.08607	24.0
121.06528	20.0
121.10139	23.8
123.08076	39.8
125.05980	14.0
129.07007	8.4
131.08566	27.9
133.06497	7.7
133.10159	12.2
135.08081	6.7
137.05917	6.1
137.09624	5.7
139.07550	8.6
143.08548	7.2
145.10103	11.2
147.08043	6.9
147.11752	6.0
149.09636	29.8
151.07556	100.0
157.10112	8.9
159.11670	4.9
161.09669	9.5
165.09076	5.4
167.10667	27.2
171.11665	7.0
173.09663	5.8
173.13269	6.4
175.11211	4.0
177.09103	8.6
187.14952	5.0
189.12747	22.3
193.12262	7.3
195.11711	4.7
207.13799	53.5
208.44994	4.0
215.14337	5.6
237.14798	9.1
267.09195	3.9
267.16068	5.3
269.12070	4.8
273.14749	5.5
283.08575	15.2
285.10071	6.5
291.15680	5.2
301.10559	7.4
312.54263	4.1
329.20990	19.0
347.18292	8.1
347.22089	63.3
355.25574	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	347.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
53.21427	1.8
54.30132	1.6
55.05513	9.8
56.96567	5.8
57.03447	2.7
57.07072	3.6
59.04999	2.6
61.02942	2.4
67.05512	10.4
69.03429	7.1
69.07082	3.4
69.34205	11.8
69.34608	3.4
79.05499	13.4
81.03434	6.6
81.07068	25.6
83.04987	7.4
85.02903	3.5
85.06542	2.7
91.03947	2.2
91.05488	18.8
93.07047	34.6
95.04955	11.4
95.08635	11.9
95.09131	2.5
97.02876	2.0
97.06543	7.3
105.07035	22.8
107.04960	2.8
107.07944	3.0
107.08601	27.5
109.06517	11.1
109.10143	13.5
111.04532	1.9
111.08104	3.1
117.07014	4.1
119.08607	11.9
119.44666	1.6
121.06516	11.1
121.10136	18.5
123.08083	23.1
125.05992	14.2
129.07072	3.1
131.08591	16.8
133.06477	5.1
133.10124	11.7
135.08072	4.1
135.11694	2.3
137.06012	2.5
137.09647	3.9
139.07602	2.7
142.07797	2.2
143.08545	2.9
145.10129	7.0
147.08115	4.5
147.11697	6.0
149.09631	21.2
151.07561	65.0
156.09311	2.4
157.10172	5.6
159.08110	4.4
159.11725	4.0
161.09628	4.9
163.11162	3.5
165.09178	5.1
167.07088	3.2
167.10693	17.4
171.11682	2.6
173.09758	1.9
173.13222	3.2
174.10329	2.4
175.11230	3.5
177.09149	6.1
185.13310	2.3
189.12738	21.3
191.10687	2.0
191.14301	2.4
193.12202	1.8
195.11761	2.1
199.11179	2.2
201.12627	3.1
203.14398	2.2
207.13809	33.8
213.12749	1.9
215.14386	3.9
221.15335	3.2
227.14297	1.8
228.90117	2.1
233.15433	5.5
237.14793	9.9
243.13588	2.1
251.11552	2.2
255.13838	2.7
255.17522	1.8
271.89462	1.7
273.14877	7.7
285.09756	2.1
285.12070	2.4
290.06897	1.7
291.15942	4.4
311.19986	2.7
329.21130	6.5
347.18286	100.0
347.22241	59.2
348.18466	2.0
357.90027	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	348.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	34.3
57.03423	11.0
67.05508	94.0
69.07053	18.8
70.99611	18.8
71.08630	12.1
79.05498	44.5
81.07063	62.0
83.08614	35.7
91.05506	20.0
93.07030	30.2
95.04939	9.7
95.08620	24.6
97.06503	10.6
97.10162	21.9
99.08070	15.7
105.07032	10.3
107.08588	24.1
109.10136	52.0
111.08069	11.3
119.08592	16.1
121.10136	14.4
123.11697	8.4
125.09626	19.8
131.08569	8.1
133.10075	19.6
135.11670	9.7
147.11636	8.7
149.13249	31.8
155.10655	35.1
173.11745	100.0
189.11172	20.7
195.13887	52.2
213.14893	31.4
259.12943	9.5
277.21637	54.4
295.22556	19.0
299.37265	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0897
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.26087	4.0
56.96561	16.3
64.54775	3.2
64.55123	3.3
67.64231	3.2
67.64716	3.3
69.03428	9.6
70.06583	4.7
81.03456	3.1
84.08110	5.0
84.96046	7.3
85.02908	17.6
97.02888	6.7
98.58561	3.2
98.97596	36.9
101.00880	5.1
110.97574	15.3
112.99172	4.0
116.98640	10.6
119.01910	6.5
124.99108	4.3
128.98598	9.8
143.01955	5.4
157.01706	18.4
158.99637	7.7
163.02754	4.1
175.02777	17.2
186.04561	4.2
193.03893	5.8
201.00647	4.6
205.03789	10.9
215.00417	4.0
217.03827	8.9
219.01723	23.5
237.02895	23.7
267.07593	3.7
301.05920	6.8
331.07034	8.2
349.08847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
50.67900	0.5
53.03916	0.6
55.01873	1.2
55.05522	0.7
56.05035	0.7
56.96573	0.9
57.03440	1.4
58.99583	1.2
69.03448	0.9
70.06593	1.7
71.36203	0.9
76.02229	0.7
79.05496	1.3
81.03429	0.8
81.07060	10.3
84.04513	9.0
84.08134	1.9
85.02897	2.1
86.09709	1.4
86.99064	0.9
87.02695	5.7
91.05479	1.0
98.97578	1.8
99.08088	1.3
103.05507	0.8
105.00092	1.7
109.02859	1.0
111.43295	0.6
119.01894	0.7
119.04922	0.8
122.02731	6.9
127.03926	1.3
130.05016	1.2
131.01906	1.6
131.04933	0.9
132.01163	2.3
145.03552	0.9
147.04408	5.2
149.05971	0.9
155.01904	1.5
159.04703	1.4
165.49269	0.6
171.04507	1.3
173.03029	1.2
185.04283	1.7
187.03679	2.5
188.03760	0.8
189.05501	2.0
202.08989	8.7
203.07372	4.0
205.03513	1.6
220.10152	1.0
221.06529	0.8
223.04578	1.6
229.03510	0.9
247.04546	7.1
253.35266	0.6
259.04602	1.5
265.05618	4.8
270.71265	0.6
277.05658	0.9
283.06787	0.8
286.06396	1.1
289.05679	1.8
307.06714	2.6
324.21182	0.6
331.08932	0.7
331.13107	0.9
349.08966	100.0
350.09100	0.8
367.08514	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	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
59.28295	2.4
70.19067	11.9
70.78643	2.3
79.53632	2.6
91.15763	2.8
129.16600	2.8
151.40283	2.6
154.36310	3.0
215.51100	2.6
247.03075	3.1
349.04889	5.7
349.08987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41586	1.1
53.03957	2.6
55.01868	2.2
55.05520	4.7
56.05033	5.6
56.96571	2.7
57.03448	11.5
57.07074	1.7
58.99594	13.2
67.05515	1.9
69.07082	2.3
70.06592	3.5
70.27587	1.1
71.24376	2.0
72.08163	1.8
74.91045	1.2
76.02231	10.6
79.05501	12.0
81.03412	1.6
81.07067	100.0
84.04514	77.3
84.08162	6.0
85.01145	4.3
85.02916	3.8
86.00665	6.8
86.09714	2.9
86.99065	12.0
87.02701	50.9
88.04010	1.6
91.05476	2.3
95.08631	1.5
96.04527	1.2
97.02894	1.3
97.06538	1.3
98.09690	2.7
98.97607	3.6
99.08089	12.4
102.05566	1.3
105.00114	14.2
107.08617	2.2
109.02882	1.7
110.97601	1.3
113.04251	4.1
114.03730	1.2
122.02744	60.8
123.11797	1.5
127.03938	3.2
130.05014	14.7
131.01671	1.8
132.01192	15.7
142.03226	4.5
151.03894	1.9
156.08421	5.4
159.04782	19.1
174.09512	3.0
176.07404	1.5
188.03821	4.6
196.09689	1.9
202.08992	85.5
203.07381	30.1
203.09277	2.2
204.58876	1.2
210.11240	2.0
220.10031	15.7
220.88387	1.2
234.04318	4.2
235.93747	1.3
246.15613	1.3
251.07080	3.4
285.03778	1.4
286.11081	3.9
331.13025	7.5
332.11667	3.9
337.62436	1.5
349.14206	12.6
349.18799	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	349.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.3
57.03439	2.5
59.72204	2.1
61.02931	2.8
63.82087	1.9
67.05505	6.0
69.03430	10.9
69.07053	4.7
69.49702	13.9
70.06602	6.3
71.04990	8.3
73.02934	2.5
76.22008	2.7
79.05493	5.9
81.03445	4.4
81.07069	24.8
83.04986	2.3
84.04497	3.8
84.08170	6.0
85.02905	21.6
86.09714	12.9
87.10058	5.7
91.05500	3.9
93.07039	3.2
95.04974	2.3
97.02913	9.2
97.06519	2.8
98.97581	3.4
101.00903	2.3
105.03425	2.1
106.02907	3.1
107.08630	5.1
109.02864	2.1
109.06527	4.2
109.10178	7.5
113.06036	2.2
116.98599	3.5
123.11699	11.8
127.03938	4.3
133.10138	2.9
147.04381	4.1
151.11230	12.9
158.99823	1.8
169.12247	23.8
187.09473	2.0
187.13364	7.1
189.05559	2.8
203.07562	2.4
205.03566	2.2
237.02888	3.3
247.04671	7.0
265.05707	6.3
272.98148	2.6
289.05853	3.2
330.84543	2.0
348.99185	3.2
349.09064	100.0
349.14441	13.1
367.08701	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40947	0.6
55.01871	0.7
55.05526	0.9
56.96556	1.2
57.03440	1.1
66.55344	0.7
67.05497	2.0
69.07061	0.6
69.37947	0.5
69.80224	1.3
69.80630	2.8
79.05492	1.3
81.03403	1.4
81.07065	2.8
85.02901	0.6
91.05493	2.3
93.07062	1.2
95.08633	1.0
95.94051	0.6
105.07045	1.9
107.08627	1.6
117.07010	1.0
119.08596	1.2
121.10109	0.7
131.08592	1.0
133.10144	1.0
137.05782	1.6
145.10129	0.9
147.08069	0.6
147.11703	0.8
159.11755	1.0
253.12949	1.4
269.12405	1.2
270.12677	0.9
275.20108	1.5
280.12863	1.9
298.60098	0.6
349.19904	100.0
350.20197	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78216	1.1
55.05506	1.1
57.03416	2.3
57.07076	1.2
67.05497	2.7
68.10626	0.8
69.07064	1.4
69.47713	7.4
70.24082	1.1
71.52399	1.0
78.49995	1.1
78.81372	1.0
79.05482	3.1
81.07056	3.6
82.75890	0.9
88.11266	1.2
91.05466	3.3
93.07047	1.7
95.08601	2.3
100.39293	1.0
105.07045	3.4
107.08626	2.4
119.08563	1.7
121.10174	1.8
123.08064	1.3
131.08607	1.8
133.10172	2.1
139.59525	1.0
147.11662	1.1
167.80035	1.1
179.14355	2.0
225.09094	2.9
227.10690	1.4
249.14624	1.1
275.20047	2.1
349.23535	100.0
350.23846	2.5
359.32394	1.1
365.50754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.4
55.01875	18.7
55.05272	3.1
55.05520	52.4
56.96558	8.7
57.03448	21.1
67.05511	71.7
69.03416	4.8
69.07078	32.9
71.04986	7.8
71.85761	3.0
79.05502	100.0
81.03426	9.0
81.07065	68.3
83.04983	27.7
83.08640	17.6
85.06581	3.1
89.13135	2.5
91.04972	4.2
91.05496	55.6
93.06477	4.1
93.07056	70.8
95.01345	5.5
95.04976	17.1
95.08620	32.8
95.79125	2.2
97.06561	16.8
97.10172	12.7
101.04195	2.6
104.10770	4.0
105.07041	49.5
107.04967	36.7
107.08614	66.4
109.06497	8.0
109.10163	26.8
111.08071	5.0
117.07022	19.7
119.08585	32.9
121.06484	4.4
121.10139	25.3
123.08084	6.1
123.11674	4.6
125.09689	12.5
129.07014	4.2
131.08582	22.9
133.10153	30.8
135.08064	9.8
135.11726	12.0
137.09663	2.4
139.07558	2.5
145.10152	18.7
147.11694	18.0
149.09651	48.7
149.13298	4.4
153.09109	3.5
155.08502	3.4
157.10144	3.1
157.53737	3.4
159.11729	14.4
161.13229	4.8
163.11189	6.7
163.14833	6.4
169.10071	3.0
171.11707	2.9
173.11777	4.1
173.13216	4.0
177.12675	3.0
179.14261	7.7
184.07408	2.5
187.14809	2.9
189.11189	5.3
191.14417	3.1
209.15326	3.7
211.14845	2.9
225.09090	6.9
227.10582	6.1
229.19565	4.9
247.20543	5.4
250.62666	2.8
254.94647	2.9
257.19073	12.0
275.17291	3.9
275.20114	50.1
323.23941	2.4
349.19855	13.2
349.23773	36.4
349.27148	4.0
349.34232	2.9
350.23428	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	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01874	8.0
55.05266	1.4
55.05515	19.8
56.96564	6.9
57.03442	22.2
57.07064	3.5
61.02910	3.9
65.03931	2.9
67.05512	39.3
68.22887	1.2
69.03418	4.2
69.07074	20.9
70.14983	2.5
70.15382	2.1
71.04991	2.6
71.08620	1.1
71.95278	1.4
79.05501	40.7
81.03413	4.9
81.07065	47.1
83.04986	9.0
83.08636	8.9
85.02901	4.6
85.06529	3.3
91.03934	2.5
91.05490	39.3
93.07050	41.8
94.07359	1.4
95.04968	14.0
95.08044	2.1
95.08611	27.6
97.02895	3.0
97.06536	8.6
97.10178	2.9
98.97581	1.8
99.04444	1.4
105.07042	38.8
107.04970	12.3
107.08604	30.1
109.06527	15.8
109.10166	11.2
111.08061	3.5
115.05508	2.0
116.06223	1.4
117.07035	13.3
119.07783	2.3
119.08590	26.2
121.06514	13.8
121.10144	13.3
123.08070	6.0
123.11691	4.0
125.09601	3.8
128.06184	1.6
129.07019	4.8
130.07747	1.6
131.07605	1.3
131.08582	25.1
133.06503	4.0
133.10143	24.3
135.08055	5.9
135.11717	7.4
137.09615	3.2
137.13255	1.7
139.07533	1.2
141.06981	1.7
143.01900	1.5
143.08583	4.3
145.06471	2.2
145.10118	23.8
147.08080	4.5
147.11679	18.8
149.09673	9.0
149.13252	4.0
151.11182	5.7
155.08560	1.9
157.10130	4.7
159.08028	3.8
159.11713	13.0
161.02924	1.4
161.09613	5.1
161.13245	5.8
163.11165	8.0
169.10123	2.2
171.11690	3.9
173.09615	3.2
173.13326	6.5
175.11266	2.9
175.14804	1.8
177.12762	3.0
183.11685	2.8
185.13251	4.0
187.11182	3.0
187.14754	1.2
190.03569	1.3
191.14360	3.3
197.13245	4.0
199.06516	1.6
199.14864	1.6
201.12665	3.4
203.14423	1.7
207.13814	4.2
215.14308	2.4
219.13811	4.5
219.17444	8.2
229.15979	1.2
229.19522	3.8
239.18005	6.3
245.05093	1.4
247.20528	5.6
251.08566	1.5
251.11346	1.6
255.09062	3.7
257.19006	21.5
267.09103	2.0
271.08551	2.0
271.11975	1.5
275.20090	100.0
276.20425	1.7
283.08707	2.8
285.10098	1.8
293.21075	7.5
328.52396	1.2
331.22983	1.8
349.06952	2.6
349.16122	1.5
349.19757	23.1
349.23767	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37034	1.2
53.03945	2.6
55.01873	4.2
55.05517	14.2
56.96573	19.5
57.03442	14.5
57.07056	2.0
57.80503	1.4
61.02924	1.8
62.86187	1.2
65.03937	1.8
66.65207	1.2
67.05511	33.9
69.03429	4.1
69.07074	20.3
69.71638	3.8
69.72046	2.5
71.04995	3.0
71.95264	3.4
74.80238	1.0
77.04707	1.1
77.24753	1.1
79.05499	26.6
81.03427	3.3
81.07065	40.7
83.04995	8.9
83.08624	8.1
84.96033	1.3
85.02950	1.8
91.04909	1.1
91.05489	28.8
93.07054	34.2
95.04989	10.0
95.08606	22.4
97.02890	1.6
97.06531	5.6
97.10170	3.2
98.20797	1.2
98.55418	1.2
103.05442	1.6
105.07040	34.7
107.04963	10.0
107.08602	22.4
109.06532	12.0
109.10174	10.3
110.97559	1.7
111.08093	3.6
117.07015	10.1
119.08591	20.2
121.06519	12.7
121.10159	12.0
123.08078	8.0
123.11727	3.8
125.09619	1.7
127.03918	1.3
128.87831	1.1
128.98570	2.4
129.07002	5.0
131.08575	20.7
133.06506	4.3
133.10147	19.9
135.08041	6.7
135.11678	8.8
137.02733	1.2
137.09628	3.5
141.02286	1.0
141.07001	1.9
142.07870	1.1
143.08585	4.7
145.06503	2.8
145.10141	16.2
147.08041	3.5
147.11693	12.4
149.09618	7.3
149.13261	4.4
151.11197	5.3
155.08553	1.5
157.10130	5.0
159.08070	2.9
159.11743	10.5
161.09593	5.0
161.13312	4.6
163.11200	9.6
165.12700	1.8
169.10080	1.5
171.11754	4.3
173.09537	2.7
173.13248	7.7
175.11230	3.3
177.12738	2.8
179.14328	1.4
183.11703	2.3
185.04895	2.3
185.13266	2.6
187.11171	2.9
187.14845	2.4
189.04323	1.2
189.12784	2.5
191.14330	3.0
193.12157	1.6
197.13255	2.8
199.06375	2.3
199.14757	1.7
201.12787	3.5
203.05922	2.5
205.12163	1.4
207.13847	4.1
211.06746	1.6
213.08017	4.8
215.14391	1.3
215.18071	3.2
219.13834	4.8
219.17389	2.3
225.09105	2.0
229.07541	3.2
229.19577	3.1
231.09027	3.2
233.19063	1.8
239.18011	2.3
243.08925	1.7
247.20593	5.9
255.09177	3.1
257.19022	17.7
265.11472	1.5
267.09085	4.5
269.10645	5.1
273.09995	1.5
275.20090	100.0
276.20416	2.5
277.11139	1.4
279.12878	1.3
285.10037	4.1
287.11612	1.8
291.12683	3.6
293.21094	6.7
295.12198	3.6
307.12183	1.3
309.13626	1.4
321.93811	1.3
325.13120	1.3
328.60266	1.3
331.15756	5.7
349.16867	15.8
349.23782	28.9
349.34045	1.3
367.18094	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	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03943	2.3
55.01887	6.4
55.05266	1.2
55.05518	17.3
56.96571	75.4
57.03442	14.2
57.07075	2.2
61.02923	1.7
65.03934	1.3
66.32455	1.1
67.05511	33.2
69.03428	2.8
69.06729	1.4
69.07076	20.8
71.04999	2.9
71.55240	1.5
71.95273	12.0
72.77107	1.2
72.96042	4.6
74.97581	1.1
79.05065	1.5
79.05504	29.2
80.59892	1.0
81.03418	3.3
81.07063	39.7
83.04979	6.7
83.08609	4.9
84.96035	3.7
85.06544	2.4
91.05486	27.9
92.98656	1.1
93.07056	33.4
95.04966	11.1
95.08051	1.7
95.08614	24.7
97.02864	1.3
97.06540	4.1
97.10182	1.9
97.96768	2.1
98.97577	4.4
103.05455	1.0
105.00108	1.5
105.04554	1.1
105.06393	2.0
105.07047	29.4
107.04971	10.6
107.08603	21.0
107.85880	1.1
109.06536	12.9
109.10178	10.0
110.97572	9.0
111.08090	1.5
115.00703	1.7
116.98602	1.5
117.07034	8.8
119.01738	2.2
119.08596	20.9
121.06525	14.2
121.10149	12.2
123.01214	2.6
123.08085	4.4
123.11693	3.5
125.09608	2.1
128.98636	6.7
129.02242	1.5
129.07013	3.5
131.08588	17.8
133.01758	1.9
133.06487	3.8
133.10141	18.4
135.08009	6.0
135.11702	6.5
137.02754	4.3
137.09621	3.6
139.00743	1.4
141.06958	1.8
143.03915	1.3
143.08588	3.9
145.06519	2.8
145.10139	14.0
146.99666	3.2
147.08051	3.5
147.11707	12.3
149.09641	9.1
149.13266	3.5
151.04347	1.5
151.11182	4.4
153.02245	2.4
155.03735	5.2
155.08618	1.9
157.01799	1.8
157.10141	4.3
159.03345	1.6
159.08076	2.1
159.11716	10.4
161.01195	1.2
161.09650	3.2
161.13266	4.9
163.11177	8.5
165.05762	1.1
165.12726	1.7
167.03835	1.3
169.01740	1.6
169.05382	1.8
169.10135	2.2
170.99857	1.1
171.03279	4.1
171.11720	4.0
173.04884	3.6
173.09584	3.0
173.13235	6.1
175.11234	2.7
175.14864	1.7
177.12759	2.5
179.14377	1.5
181.05392	4.2
183.03252	1.3
183.06920	3.7
183.11676	2.5
185.04892	6.4
187.11162	2.5
187.14883	1.9
189.04370	1.8
189.12766	2.3
191.14337	1.9
193.05376	2.3
195.06964	4.9
197.08493	1.8
197.13184	1.7
199.06448	24.5
201.08026	8.7
201.12796	2.4
203.05930	4.5
203.14375	1.4
205.07614	1.5
207.13853	3.0
209.04933	1.8
211.06412	13.4
213.07996	58.6
213.16360	1.3
215.14314	1.2
215.17932	1.9
217.07523	17.5
219.09119	2.8
219.13766	5.0
223.06432	1.4
225.07829	5.3
227.06020	1.9
227.09534	2.2
229.07497	92.8
229.19547	3.5
230.07870	2.9
231.09053	51.0
233.19101	1.4
236.09529	5.9
239.17839	5.8
243.09097	28.6
245.10703	2.2
247.08557	47.2
247.20648	4.6
248.09262	1.1
251.09619	1.5
252.09148	8.2
254.10722	2.5
255.09158	2.2
257.19025	15.9
261.10101	13.6
263.74228	1.2
266.10645	3.5
267.09067	5.1
268.09491	1.5
269.10587	3.4
270.10168	2.1
275.20090	100.0
276.20520	2.6
284.11853	1.2
285.07324	1.4
285.09937	6.0
293.21191	4.7
303.16394	1.3
307.15857	1.6
313.14832	2.4
331.15845	21.0
349.16907	88.1
349.23575	32.5
350.17377	1.3
367.17966	20.2
372.18460	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	349.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.2
55.01880	17.2
55.05268	3.2
55.05518	50.9
55.20379	2.2
56.96573	40.0
57.03441	20.0
65.03939	5.2
67.05172	3.6
67.05511	60.7
69.03427	4.2
69.06725	2.8
69.07072	36.4
71.04992	5.9
71.95260	6.0
77.74750	2.4
79.05505	100.0
81.03417	17.9
81.06583	3.6
81.07067	71.0
83.04993	26.5
83.08632	10.2
85.06542	3.8
89.43027	1.9
91.05492	62.6
93.07055	67.9
95.01336	7.2
95.04975	15.9
95.08619	37.2
97.02892	3.1
97.06552	13.6
97.10186	12.0
98.97592	3.7
99.08112	3.1
103.05489	2.9
105.04513	3.4
105.07041	60.4
107.04962	30.4
107.08608	52.0
109.06535	11.3
109.10190	20.9
110.97565	3.1
111.08100	7.9
111.57579	2.1
115.05412	3.0
117.07022	20.8
119.06075	2.1
119.08597	43.9
121.06537	6.1
121.10154	23.3
123.01206	2.0
123.08070	10.6
123.11731	5.7
125.09637	13.6
128.98650	3.7
129.07019	3.5
131.08589	26.8
133.06491	4.6
133.10152	39.3
135.08043	8.9
135.11699	9.1
137.09651	4.2
141.07034	3.5
142.07787	2.6
143.08556	4.4
145.06454	3.0
145.10150	23.5
147.08046	3.3
147.11699	20.1
149.06001	4.7
149.09633	38.5
149.13283	6.6
153.09166	3.5
155.08597	2.7
157.10139	7.1
159.11668	17.1
161.01265	2.2
161.13269	9.4
163.11169	5.9
163.14870	5.5
169.10147	3.5
171.10281	2.4
171.11746	4.7
173.11852	3.7
173.13261	11.5
175.14754	2.6
177.12773	4.8
179.14333	10.2
183.11671	4.5
185.13274	2.1
187.11188	4.8
187.14728	2.6
188.59299	2.2
189.11183	5.8
191.14162	2.9
195.14000	3.0
197.04984	3.1
197.13254	2.5
199.06415	5.5
201.07924	5.1
203.05902	3.7
209.15382	3.8
211.06403	4.8
213.08011	9.6
217.07545	4.5
223.08507	2.4
225.08005	2.3
229.01454	4.2
229.07509	16.1
229.19501	3.8
231.09097	13.1
239.18068	4.5
243.08984	11.6
247.08598	9.5
247.20523	3.9
255.08904	3.9
257.19049	12.5
261.10165	7.1
267.09036	2.2
269.10648	3.0
275.20090	53.0
297.13803	3.0
331.15875	21.5
349.16940	40.8
349.23782	42.3
349.28006	2.7
367.17929	10.3
372.18460	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84141	3.0
52.44522	3.4
55.05508	14.5
57.03445	5.8
57.07075	6.1
62.90689	3.0
63.55149	3.3
67.05510	42.6
69.07075	25.0
69.81415	9.1
69.81831	9.5
71.05007	7.2
71.08628	3.5
79.05508	49.8
81.07066	53.9
83.04981	6.3
83.08630	9.3
91.05487	60.5
93.07056	66.6
95.04984	28.8
95.08620	52.1
95.14026	3.4
97.06535	10.7
98.20799	4.1
98.70055	3.7
103.05462	6.6
105.07038	100.0
107.08592	55.3
109.06528	9.0
109.10160	42.6
117.07019	20.8
119.08589	94.1
121.06519	8.6
121.10155	76.7
123.08080	10.1
123.11732	19.3
124.41614	3.3
128.06206	8.1
129.07016	15.7
130.07796	7.2
131.08578	52.9
133.10146	47.9
135.08044	10.7
135.11716	24.8
137.09718	5.1
141.07001	8.3
142.07779	24.1
143.08601	31.5
144.09361	11.5
145.10141	58.2
147.08092	6.1
147.11723	22.0
149.09631	12.3
155.08572	12.8
156.09344	10.6
157.10130	40.2
158.10919	7.0
159.08066	4.2
159.11670	26.7
161.09634	19.4
161.13268	14.7
165.07076	3.7
167.08601	8.3
169.10097	22.1
170.10933	6.1
171.11676	24.5
172.12485	4.7
173.09680	4.3
173.13257	15.7
173.98608	3.4
175.14839	10.8
179.08569	10.3
179.14320	11.3
180.09360	3.8
181.10141	9.9
182.10956	4.9
183.11697	21.0
184.12643	4.0
185.13297	17.7
187.14861	18.1
194.10957	12.1
195.11777	19.1
196.12476	4.4
197.13275	14.3
199.14836	10.2
207.11761	7.9
209.13246	23.8
210.13997	4.4
211.14832	8.3
213.12729	5.0
213.16380	9.7
221.13281	7.2
223.14798	7.7
225.09102	7.9
227.14311	16.7
237.16414	5.2
239.17921	6.3
240.18907	3.9
251.17946	3.5
253.19571	5.2
254.07257	3.1
255.17476	4.2
265.19540	4.3
275.20090	6.9
293.18942	5.3
331.24176	4.6
332.61005	3.5
349.25040	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01876	2.1
55.05519	7.3
57.03430	3.1
57.07079	2.0
58.85884	1.1
62.20829	0.8
67.05511	8.2
69.07075	12.3
69.36801	7.3
69.37244	1.5
71.04995	1.4
73.42667	0.9
78.45747	0.9
79.05492	7.8
81.07076	11.5
83.04997	1.2
83.08618	3.9
85.06577	1.2
91.05499	5.7
93.07042	7.4
95.08617	10.2
97.06529	2.8
97.10192	1.8
97.50365	1.0
98.21559	2.0
102.19814	0.9
105.07041	6.2
107.08601	7.8
108.27213	1.1
109.06537	11.1
109.10146	4.7
111.08060	1.8
119.08588	6.6
121.06479	0.9
121.10196	4.9
122.34453	1.0
123.08084	66.4
131.08575	1.3
133.10133	4.3
134.49191	0.8
135.08051	5.3
135.11713	2.0
137.09644	3.7
140.61232	0.9
140.86263	0.8
143.08577	1.1
143.69437	1.1
145.10152	3.8
147.11716	2.3
149.09654	1.9
149.13260	2.3
159.11708	2.2
161.13254	2.9
165.12755	1.1
179.14308	5.0
198.07590	1.0
225.09274	1.0
257.19098	1.4
275.20190	5.0
293.21152	19.4
307.22586	1.1
331.26321	3.5
349.27423	100.0
350.27686	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05508	2.9
57.03431	0.6
57.07084	5.3
63.33484	0.6
67.05510	5.5
69.07070	4.5
71.04980	0.6
71.08627	2.7
79.05500	4.5
79.44997	0.6
81.07064	6.9
83.05009	0.6
83.08642	1.6
83.50579	0.6
85.06520	2.6
90.28314	0.6
91.05476	3.5
93.07062	3.9
95.04949	1.2
95.08617	5.6
97.06527	1.0
97.10152	0.7
97.84710	0.5
99.08098	2.1
105.07055	3.8
107.08586	4.8
109.06528	18.6
109.10176	2.7
111.08118	0.8
119.08580	2.6
121.10151	2.2
122.07276	1.8
123.08076	26.1
123.11723	1.0
131.08563	1.2
133.10153	1.8
135.08083	3.5
135.11685	0.8
137.09659	0.7
145.10106	1.3
147.11696	1.6
148.62740	0.7
148.81456	0.6
149.09621	1.1
149.13286	0.8
163.11264	0.6
177.16405	0.9
179.14322	100.0
180.14645	1.4
187.14746	0.7
193.15915	1.8
203.14214	0.7
275.20114	1.6
288.04202	0.6
289.25345	0.8
331.26334	2.8
349.27414	90.2
350.27725	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.74892	0.6
53.03941	0.6
55.01854	1.0
55.05519	4.8
57.03447	1.0
57.07067	1.9
58.44233	0.5
59.22167	0.5
67.05515	6.6
69.03445	0.7
69.07070	10.0
71.04995	1.2
71.08626	1.0
79.05502	4.1
79.05882	0.8
81.07062	8.6
83.04987	1.2
83.08626	4.5
84.47679	0.6
85.06533	1.2
91.05477	2.2
93.07031	4.7
93.80055	0.6
95.04972	1.1
95.08619	7.4
97.06525	2.6
97.10152	1.4
98.21498	1.6
101.19061	0.5
102.42361	0.5
105.07037	3.9
107.08617	6.4
109.06526	11.5
109.10154	3.1
110.63839	0.5
111.08060	1.6
117.07024	0.6
119.08572	3.3
121.10165	3.9
122.07280	0.8
123.08078	63.6
123.11707	1.6
125.09623	0.7
131.08594	1.5
133.10152	3.1
135.08044	6.3
135.11691	1.9
137.09653	4.1
137.13139	0.6
143.08450	0.6
145.10136	1.8
146.37508	0.6
146.59654	0.5
147.11710	2.1
149.09622	0.9
149.13242	2.2
151.11203	0.9
159.11693	1.6
161.13322	0.9
163.11174	0.7
165.12814	1.0
173.13258	0.7
179.14314	14.4
180.30383	0.6
229.19597	0.7
275.20166	2.3
293.21164	17.2
303.27039	0.7
307.22726	0.9
331.26328	4.6
349.27396	100.0
350.27798	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	350.1348
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03945	1.1
55.01859	1.3
55.05507	0.9
56.05022	0.5
56.96555	1.0
57.03442	3.0
60.04527	4.9
61.02912	1.9
62.19896	0.4
67.05492	1.0
69.03085	0.6
69.03433	8.8
69.07047	0.6
70.06576	1.8
71.01351	0.9
71.04408	0.4
71.04984	2.0
71.54515	0.5
72.08142	1.3
73.02911	1.5
79.05478	1.5
81.03392	1.8
81.07049	1.4
84.08134	1.6
85.02895	0.6
86.09703	2.0
91.05472	1.4
93.07047	1.2
95.08609	0.8
97.02903	1.2
97.06525	0.7
98.97580	0.8
99.04433	2.1
100.11260	1.0
105.07040	0.8
107.08609	0.6
109.10149	0.5
117.05669	0.5
118.06550	4.6
120.08118	4.0
121.10133	0.6
123.11680	0.5
129.10222	0.7
132.06979	0.4
132.08061	1.0
133.10094	0.7
145.07613	14.6
146.08424	0.9
147.09180	21.7
153.12784	0.5
157.07622	1.1
159.09175	9.5
160.09964	2.2
170.99681	0.5
171.09227	0.5
173.05850	0.5
173.07100	2.0
173.10698	1.6
175.08702	1.3
184.09924	1.3
185.10706	4.1
186.11458	0.8
187.12328	0.5
189.10268	1.5
191.08156	100.0
192.08557	0.9
197.10748	1.5
199.08736	0.8
199.12286	1.4
201.10303	0.8
201.12254	0.5
213.10257	2.0
215.11801	1.6
216.07695	9.7
217.07599	0.5
217.30725	0.4
219.11298	0.6
225.10275	0.9
231.11246	0.6
242.19092	0.4
245.09113	0.6
263.13937	7.2
271.06116	1.1
271.10904	0.7
289.11871	3.6
296.25854	0.6
307.12885	56.5
308.13202	0.6
332.27988	1.5
350.13467	47.7
350.28848	2.8
351.13354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2691
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
53.03944	4.9
55.01867	2.6
55.05514	34.1
56.05031	6.3
57.07071	10.9
57.72958	1.6
58.02973	12.3
58.06599	3.4
59.05005	2.1
60.04522	5.4
65.03952	3.5
67.05508	50.1
67.75970	1.7
68.05027	2.9
69.07076	43.8
70.06591	23.8
70.70669	4.0
71.08285	3.0
71.08641	41.1
72.04517	4.0
72.08145	4.2
79.05498	47.8
80.05018	5.9
81.05785	3.3
81.07066	51.7
82.06592	21.5
83.04983	2.3
83.08632	20.8
84.04501	7.0
84.08152	35.5
85.06541	3.1
86.06081	5.8
86.09701	5.3
88.11275	95.4
89.06028	2.0
91.05493	32.5
93.07056	34.6
94.06018	3.3
94.06576	45.7
95.04977	6.2
95.07367	6.5
95.07994	2.2
95.08616	44.8
96.08148	12.8
97.06534	5.0
97.10146	9.9
97.52689	1.7
100.07610	2.0
101.60741	2.1
105.04580	2.8
105.07030	22.7
106.06570	5.2
107.04973	2.3
107.07419	2.0
107.08599	28.5
108.08110	6.4
109.06531	4.9
109.10169	15.9
110.06122	1.9
110.09676	7.0
111.08065	2.5
111.11721	2.1
112.07629	11.4
114.09179	5.2
117.07023	6.5
119.06089	2.0
119.08591	17.8
120.08125	4.1
121.10152	16.5
122.09691	5.9
123.11739	6.5
124.07629	3.2
124.11253	19.5
131.08571	6.6
133.10141	8.0
134.09660	5.6
135.10681	1.7
135.11696	8.3
136.11278	8.1
142.12341	3.2
145.10150	7.4
147.11734	8.1
148.11208	3.2
149.13301	3.7
152.10753	7.6
154.12303	2.4
156.13855	4.6
159.11766	5.0
161.13286	2.2
162.12769	2.9
163.11177	2.0
163.14909	2.2
164.14397	7.4
170.15401	5.8
171.11859	2.3
173.13275	2.6
175.14822	1.8
180.13824	6.0
184.17036	6.1
185.13191	2.1
198.18579	4.4
206.15399	2.6
212.16476	28.1
212.20079	3.3
220.16960	5.9
226.18184	1.7
232.17075	4.1
235.16833	2.2
238.18156	5.4
238.21645	3.8
240.15955	4.1
245.22787	2.1
250.17888	1.8
252.19603	27.8
260.20316	2.4
264.19684	2.5
266.24976	1.9
268.26385	3.4
280.19199	5.5
292.22723	20.9
332.25897	12.8
350.26996	100.0
350.34064	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.7
56.96564	2.9
65.03922	2.0
67.05499	2.8
69.03416	1.8
69.51118	5.9
69.51527	2.3
70.06609	6.9
71.04992	2.1
72.08160	1.6
81.03426	1.4
81.07059	2.2
84.04453	1.7
84.08138	4.4
85.02892	5.0
86.09686	4.0
91.05474	4.2
92.05000	1.7
94.06554	2.6
95.04982	2.3
96.08073	1.6
97.02933	1.3
97.06546	1.2
98.97578	3.4
99.04420	2.2
105.03400	6.6
105.07034	1.6
106.06560	1.3
109.02876	1.7
110.97556	1.2
112.07574	2.3
116.98585	1.9
117.03368	1.5
122.06007	2.4
124.03947	2.7
124.07621	3.1
129.10283	1.7
138.05530	1.4
139.57584	1.3
140.07050	2.6
145.02821	3.6
147.04410	3.9
147.09206	1.6
150.05504	5.3
163.03925	2.1
166.04990	9.5
168.06558	2.3
171.02660	1.3
176.03406	2.2
177.05545	6.0
182.04495	4.2
182.08162	3.8
183.02660	2.4
184.09666	1.4
193.09773	3.6
194.04523	1.5
201.03728	8.1
201.10248	1.3
227.08176	1.3
227.10631	3.5
228.08670	4.6
229.03215	8.7
239.10304	5.8
244.09666	1.3
273.08481	1.7
274.98233	1.3
287.10089	1.6
290.09387	1.3
300.75797	1.3
303.09802	2.6
309.07053	1.5
315.09659	1.5
333.05804	6.2
333.10712	3.7
351.06827	100.0
351.10687	7.7
351.15958	6.5
352.06796	1.6
368.32004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46743	1.3
53.03941	1.5
55.01870	1.8
55.05508	1.9
56.96568	2.7
67.05502	3.4
69.03421	2.9
69.07050	3.0
69.50625	9.7
70.06601	12.1
71.04977	3.1
72.08150	3.4
75.81496	1.4
79.05454	2.1
81.03410	1.7
81.07063	2.3
83.04981	1.7
84.04496	2.8
84.08128	5.3
85.02897	5.4
86.09711	3.7
91.05472	3.1
95.04958	2.6
98.21442	3.4
98.97564	6.4
105.03419	7.3
109.02827	1.4
112.07584	2.0
119.04922	1.8
120.08095	2.0
122.06049	1.5
124.07617	4.2
129.10220	1.9
140.07053	3.3
145.02850	4.9
147.04402	3.6
150.05528	7.1
158.99606	2.3
163.03876	3.0
166.04993	11.3
168.06558	3.4
171.06691	1.8
175.11783	2.6
176.03537	1.6
177.05476	6.9
182.04488	6.1
182.08142	4.5
183.02626	4.2
184.09735	1.6
193.09712	4.4
194.04495	2.2
201.03683	8.9
213.06583	1.6
216.10271	1.6
228.08698	3.9
229.03241	8.0
231.11189	1.7
239.10240	6.1
261.66577	1.6
303.09662	3.9
315.09653	2.2
319.12704	2.4
333.05695	5.8
333.10663	3.7
333.14349	2.2
351.06796	100.0
351.10645	11.0
351.15894	7.8
352.07233	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	351.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88616	0.8
56.01237	0.7
56.05022	0.8
56.55294	0.7
56.96572	13.2
60.04529	0.8
67.21702	0.8
69.03435	2.1
69.07053	0.8
70.06586	2.9
71.95291	1.0
74.06071	0.8
84.04504	1.5
84.08160	4.8
84.96040	3.1
85.02918	4.4
86.09718	2.2
97.02908	2.1
98.97592	100.0
101.00896	2.2
102.00978	1.0
102.96907	2.7
103.00571	1.1
104.50421	0.8
110.97570	8.9
112.99141	1.7
116.98628	34.4
118.70058	0.7
119.01927	3.3
120.08145	1.6
120.97923	1.2
121.01672	1.3
124.99146	1.6
126.97052	1.4
127.00752	0.7
127.03952	1.0
128.98619	7.1
129.10268	3.5
131.00197	1.6
131.01904	2.4
133.01642	1.0
133.03525	0.9
134.99649	6.4
140.00188	0.9
140.98584	0.9
143.00209	4.7
143.01965	1.7
144.98125	1.3
145.01736	2.7
145.03505	1.9
146.99660	2.5
147.03323	2.2
152.98610	2.2
154.94252	1.0
157.03558	1.2
158.99670	35.1
159.03410	0.8
161.01227	3.2
161.02957	1.8
162.99103	1.2
163.02745	2.3
163.03961	1.4
170.99649	3.4
171.01402	2.9
171.03311	4.1
171.05035	1.5
172.95244	1.3
173.03001	1.6
173.06668	0.8
175.02786	2.1
175.04482	0.8
177.00731	25.1
189.00717	4.3
189.02504	4.3
189.04247	9.0
190.96327	0.9
195.01714	1.9
201.00706	3.3
201.02425	1.6
203.04045	1.4
207.05421	1.8
212.72159	0.9
217.00099	0.9
219.01772	15.6
231.03516	5.3
231.05486	3.0
231.07343	1.0
232.03604	0.8
237.02832	13.8
245.05121	1.8
251.04445	1.0
260.58261	0.8
261.02951	2.9
279.03946	1.8
291.04297	1.5
291.07526	23.2
309.08600	61.1
310.08752	1.2
332.10318	2.3
351.09579	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.0
56.96294	4.0
56.96568	66.5
57.03439	3.8
67.05512	17.5
69.07063	9.4
70.25217	6.1
71.05025	2.1
71.95284	9.9
72.96040	4.2
74.62602	1.9
76.35757	2.2
79.05499	23.6
81.07059	20.6
83.04988	2.9
86.27265	2.1
91.05488	23.7
93.07050	29.7
95.04990	4.4
95.08609	15.4
97.06559	5.2
97.96811	2.2
98.97595	3.3
99.08142	2.8
105.07030	18.9
107.08595	21.6
109.06527	5.6
109.10143	7.0
110.97598	4.6
115.00713	2.5
116.98602	2.2
117.06977	4.4
119.01690	3.3
119.08595	16.2
121.10139	12.9
123.11722	2.3
125.09673	2.8
128.98643	2.7
131.08578	9.3
133.10136	19.0
135.11711	13.7
137.02753	4.2
137.09630	2.3
143.08626	2.1
145.10121	7.7
147.11681	15.8
149.13255	7.9
153.02289	2.2
155.03740	3.5
157.10114	2.8
159.11708	8.0
161.13223	15.0
162.94583	2.0
163.14833	3.2
165.12721	2.7
171.03346	6.0
171.11716	5.2
173.13318	3.8
175.14861	4.8
180.01009	2.3
181.05437	4.4
183.06972	3.0
185.04854	3.5
185.13341	3.7
189.04379	4.4
190.04651	2.6
195.06863	5.0
199.06445	22.5
199.14819	2.8
201.07983	8.7
211.06360	12.7
213.07988	45.8
217.07523	17.4
219.09003	3.6
225.07941	3.3
229.07498	100.0
231.09062	38.4
236.09641	3.7
241.19534	8.9
243.09081	14.9
247.08559	53.4
252.09091	12.2
259.20605	33.5
261.10101	8.1
263.66641	2.4
264.09244	2.1
277.21667	5.2
289.21667	5.0
328.14902	3.1
333.17294	13.5
351.18549	55.2
351.25327	28.7
352.24774	2.4
369.19519	33.4
374.20010	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	351.2146
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.92547	0.3
55.05498	0.6
57.03429	0.3
67.05499	0.7
69.07050	0.5
70.15973	1.0
72.07496	0.2
77.00904	0.7
79.05505	0.8
81.03416	0.3
81.07056	0.9
91.05476	0.9
93.07033	0.5
95.05006	0.3
95.08601	0.6
97.06541	0.8
99.08016	0.3
105.07037	0.5
107.08597	0.6
109.10203	0.3
119.08592	0.6
121.10165	0.3
137.59731	0.3
147.04393	0.4
147.82465	0.3
163.03940	0.4
185.06435	0.3
195.09956	0.4
202.97717	0.3
213.09509	0.3
215.07130	0.3
215.11301	0.9
227.10977	0.4
231.10760	0.5
235.13071	0.5
243.14458	0.3
247.08598	0.3
253.12952	0.8
259.09781	0.6
271.14081	0.5
281.13599	0.5
315.18008	0.4
333.19839	1.1
351.21445	100.0
352.21765	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12317	2.1
53.03945	3.9
55.01868	4.0
55.05524	20.5
56.96571	13.1
57.03439	10.5
57.07067	2.2
65.03931	3.9
67.05181	3.4
67.05515	54.6
69.03426	3.5
69.07072	24.3
70.93472	5.8
71.04999	5.0
79.05065	4.3
79.05503	69.7
81.03417	4.0
81.07067	57.8
83.04983	6.2
83.08638	11.5
85.06531	3.7
91.05490	58.6
93.07058	100.0
95.04958	6.7
95.08614	42.7
97.06524	7.9
97.10183	4.7
99.08106	3.3
100.07999	1.9
103.05457	3.6
105.04566	2.8
105.07038	55.9
107.08607	49.5
109.06566	3.2
109.10177	17.1
111.08047	5.0
113.74042	1.9
117.07027	9.9
119.07799	3.4
119.08595	49.8
121.10159	43.1
123.08051	4.3
123.11712	3.4
129.07019	9.5
130.15489	2.0
131.00168	2.1
131.04942	4.4
131.08566	26.0
133.10143	46.2
135.04378	2.1
135.08049	4.0
135.11697	43.0
137.05937	2.4
137.09651	3.5
143.08565	9.6
145.10138	20.9
147.04417	9.6
147.11707	46.4
149.09618	4.3
149.13297	27.8
151.11206	2.4
157.10167	9.0
159.11693	19.6
161.13280	36.2
163.03928	9.4
163.11211	6.2
163.14897	6.1
171.11755	16.4
173.13269	9.2
175.14856	15.4
185.13287	13.1
187.14778	3.7
189.12711	3.9
199.06581	2.7
199.14827	7.2
213.16318	4.7
217.19514	5.5
218.99625	2.5
227.10699	3.5
231.17387	3.9
231.21107	6.3
237.00739	9.3
241.19530	31.5
255.01714	2.3
255.09483	7.5
257.06750	2.9
259.20624	92.5
264.10162	33.1
264.60037	3.0
265.05084	4.1
271.08640	2.8
271.82315	2.2
273.10760	3.5
275.61050	2.9
277.21640	18.6
280.13037	2.1
293.04428	4.4
305.30222	2.2
308.06836	11.8
323.09125	5.5
333.24243	8.0
351.08569	14.5
351.12390	7.2
351.25415	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63471	2.1
53.03934	8.3
55.05517	20.4
57.03434	9.7
57.07085	3.2
61.77441	2.2
62.71529	2.2
65.03934	5.1
67.05507	65.9
69.07063	18.7
69.32757	4.7
69.33166	14.6
70.25746	1.8
71.04980	3.8
71.08633	5.6
77.03924	3.0
79.05495	64.1
81.03416	4.1
81.07059	59.1
83.04956	4.4
83.08622	9.2
85.06561	5.2
91.05484	68.8
93.07049	91.1
95.04976	6.2
95.08613	41.6
97.06537	6.1
97.10206	4.0
98.21504	5.0
99.08110	7.6
103.05476	25.4
105.04527	3.4
105.06386	4.1
105.07036	58.2
107.08599	56.8
109.06551	2.3
109.10155	18.0
117.07044	13.1
119.04952	24.8
119.08591	54.3
119.09465	3.2
121.06474	2.4
121.10145	41.2
123.08096	2.8
123.11711	4.8
125.09655	2.1
129.07004	9.7
131.04936	55.2
131.08585	21.5
133.10146	47.0
135.11691	41.3
137.09583	2.2
143.08557	9.7
145.10139	19.8
147.04419	77.9
147.11708	49.0
149.09674	2.8
149.13277	30.0
151.11188	6.4
157.10143	10.0
159.11681	15.9
161.13258	35.2
163.11259	5.4
163.14833	12.2
171.11687	17.5
173.13232	12.6
175.11223	3.4
175.14825	17.8
177.12727	3.1
179.14322	8.0
185.13280	17.4
187.14748	5.7
193.15811	2.3
199.14844	8.8
213.16403	4.3
217.15880	2.7
217.19629	4.8
231.21065	9.7
237.05675	3.5
241.19536	32.9
259.20581	100.0
262.97079	2.4
265.04987	8.9
277.21655	30.5
292.07129	2.2
293.04565	4.2
308.06857	19.8
319.06018	2.5
323.09210	8.4
333.24335	7.8
336.06302	3.6
351.08594	31.7
351.12344	13.7
351.21097	3.4
351.25320	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.7
53.03942	6.9
53.68163	1.6
55.01870	1.8
55.05511	17.0
56.96569	13.8
57.03452	8.8
57.07070	2.7
59.69500	1.7
65.03949	3.5
67.05508	52.5
69.03434	1.5
69.07071	17.2
69.66366	3.7
69.66777	7.5
71.04981	3.4
71.95295	1.7
75.04488	3.6
79.05497	72.9
81.07060	65.4
83.05000	3.1
83.08613	9.7
85.06540	4.3
91.05484	63.4
92.88457	1.6
93.07049	100.0
95.04983	5.9
95.08611	46.7
97.06547	4.4
97.10162	3.4
98.21483	2.1
99.08101	5.7
105.04544	2.1
105.07029	60.2
107.08600	59.8
109.06498	3.4
109.10152	18.1
111.08109	2.1
113.09636	2.0
117.07032	15.1
119.08588	54.9
121.10146	45.3
123.08098	1.9
123.11700	3.0
125.09650	2.2
128.06241	2.8
128.98650	1.8
129.07007	9.3
131.08568	25.0
131.09496	1.9
133.10139	54.3
135.08081	3.0
135.11700	49.7
135.12704	3.1
137.09615	2.9
143.08553	10.3
145.10123	21.9
147.11693	47.5
149.09662	3.7
149.13261	29.6
149.14362	2.3
149.35878	1.8
151.11208	3.9
157.10168	9.8
159.11688	19.4
159.65204	1.6
161.13260	45.1
163.11197	3.6
163.14810	10.0
165.12791	2.1
171.11699	15.5
171.78976	1.5
173.13260	14.5
175.11270	3.7
175.14838	19.1
177.12837	4.3
183.11778	1.6
185.04930	1.9
185.13255	14.6
187.14783	3.1
189.12811	3.0
191.14323	2.1
199.14796	9.7
203.14403	3.1
207.11699	2.8
213.16496	5.9
215.17812	1.7
217.16028	2.2
217.19640	2.5
227.10675	5.4
231.09157	1.9
231.17480	2.7
231.21066	9.4
234.73375	2.1
241.19508	37.4
243.09166	5.4
255.55331	1.5
259.20587	94.1
277.21674	18.2
323.19333	1.8
333.17422	14.2
333.24231	9.1
351.18698	30.0
351.25418	65.0
369.19385	9.3
374.20190	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	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.5
53.03944	5.7
55.01854	3.7
55.05519	30.3
57.03442	46.2
57.07079	2.3
64.08123	1.5
65.03950	2.7
67.05511	65.7
67.05868	3.3
69.03411	2.5
69.07071	26.0
70.71846	4.7
71.05003	4.2
74.98105	1.5
75.04456	2.4
75.64480	1.6
79.05502	78.2
81.07066	90.4
83.05008	3.9
83.08634	20.4
85.06541	8.6
85.10282	1.8
85.21185	1.5
88.94554	1.6
91.05488	62.9
93.07055	100.0
93.53156	1.9
95.04972	8.3
95.08617	65.8
97.06516	4.9
97.10183	5.5
99.08105	4.9
103.05506	1.9
105.07040	56.1
107.08611	55.9
109.06526	4.7
109.10178	22.8
111.08101	6.4
111.11756	1.9
113.09668	4.6
117.07035	16.4
119.07792	3.2
119.08595	49.1
121.10160	46.2
121.46268	1.6
123.08072	2.9
123.11703	6.8
125.09630	2.4
129.06993	6.1
131.08577	26.0
133.10144	45.0
135.08112	3.0
135.11703	37.2
137.09639	5.2
137.13242	2.1
139.11136	2.1
143.08571	8.2
144.09441	1.6
145.10132	25.9
147.11699	43.1
149.09634	2.9
149.13264	27.5
151.11151	2.5
157.10130	6.4
159.11696	18.0
161.13266	23.8
163.11217	2.4
163.14845	8.1
165.12782	4.2
171.11710	9.9
173.13278	11.8
175.14816	11.7
177.12775	4.0
185.13266	13.6
187.14822	11.1
189.12691	2.0
191.14279	2.3
199.14842	7.0
201.16335	2.4
205.15918	4.9
207.17543	1.7
213.16367	4.3
221.15587	2.3
221.19069	4.8
227.10634	3.2
231.21068	5.4
241.19543	24.1
259.20602	63.7
260.21063	1.9
277.21640	24.1
295.54843	1.7
308.87979	1.6
327.58109	1.8
333.24249	6.5
351.21564	3.7
351.25314	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40678	1.1
52.19912	1.1
53.03949	3.7
55.01880	2.6
55.05264	1.9
55.05515	21.2
57.03445	17.6
57.07082	4.6
64.18386	1.2
65.03941	2.8
67.05512	55.9
69.03423	2.1
69.07077	19.5
69.94491	6.5
71.04985	4.0
71.08640	57.2
77.03928	1.4
79.05499	50.2
81.03417	6.2
81.07065	57.5
83.04997	10.6
83.08621	10.6
85.06548	4.0
88.91354	1.1
91.05492	41.1
93.07056	64.6
95.04985	10.8
95.08615	37.6
96.08946	1.3
97.06543	10.4
97.10180	4.9
98.21494	1.7
99.08103	36.0
105.07050	23.1
105.07665	0.7
107.04968	7.5
107.08601	33.1
107.09288	2.0
109.06539	5.2
109.10177	16.6
111.08100	3.4
113.09659	3.1
117.07012	6.8
119.08588	20.9
121.06551	1.8
121.10149	27.9
123.08144	2.3
123.11749	2.5
125.09624	2.6
127.11246	1.5
129.06998	2.5
131.08580	8.4
133.10139	13.9
135.08191	1.7
135.11705	38.3
137.09613	4.0
139.11169	2.5
141.09146	5.0
143.08607	2.1
145.10123	3.6
147.11713	7.8
149.13261	11.5
151.11185	20.3
153.12788	2.0
157.10136	2.4
159.11768	7.0
161.13261	14.3
163.11211	6.5
163.14856	4.5
165.12778	3.1
167.10658	1.9
171.11700	3.4
173.13251	2.4
175.14848	2.4
177.12775	2.5
179.14333	100.0
180.14705	1.3
185.13345	3.6
189.12825	2.5
195.13834	2.6
199.14856	2.9
221.15250	2.7
227.10632	2.3
231.21329	1.4
235.16986	6.2
241.19650	4.3
259.20636	10.9
268.54251	1.4
277.21671	37.8
351.25308	37.6
352.25113	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	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.01875	6.4
55.05267	2.1
55.05519	27.8
56.96569	9.0
57.03442	10.9
57.07081	4.9
65.03950	4.8
67.05512	78.3
69.03419	3.4
69.07074	33.5
69.96696	2.9
69.97077	3.7
70.07449	1.9
71.04990	2.9
71.08641	13.6
75.04498	2.1
79.05501	71.3
80.05859	1.7
81.03402	7.2
81.07066	67.1
83.04980	7.4
83.08621	12.9
85.02940	1.6
85.06541	4.9
86.83758	1.8
91.05489	77.6
92.05836	1.9
93.07053	90.4
94.07336	2.0
95.04993	12.2
95.08617	44.1
97.06543	10.0
97.10165	7.7
98.97633	2.0
99.08099	15.5
103.05473	3.4
105.04568	2.8
105.07040	71.9
107.04977	2.9
107.08607	48.0
109.06517	5.2
109.10175	21.1
111.04449	1.6
111.08104	3.5
113.09671	2.2
115.05473	3.1
117.07018	15.6
119.08594	62.0
121.10159	37.5
123.08086	3.4
123.11727	4.9
125.09649	3.9
128.98622	1.7
129.05489	2.6
129.07008	12.2
130.07845	1.7
131.04942	5.3
131.08582	22.4
133.06580	1.5
133.10141	56.1
135.08075	3.0
135.11705	33.0
137.09572	3.4
139.11247	2.2
141.35216	1.4
143.08568	14.6
145.10143	26.2
147.04417	6.3
147.11693	50.7
149.09605	2.5
149.13261	19.1
151.11205	7.3
157.10135	13.1
159.11713	23.2
161.13269	41.9
163.03958	6.9
163.11215	5.4
163.14822	8.2
165.12764	3.9
169.18118	1.4
171.11699	17.0
173.11984	2.3
173.13283	12.4
175.14857	22.4
177.12782	4.6
179.14363	4.7
185.13269	14.0
187.14842	4.6
189.11230	2.9
189.12776	3.8
195.09924	4.0
199.14844	7.5
203.14339	3.2
213.16478	4.0
215.17867	1.5
217.19553	4.1
218.99640	3.5
227.10739	8.4
229.07510	2.8
231.17461	4.1
231.21133	8.4
237.00725	19.6
241.19547	36.7
255.01729	3.3
255.09624	11.0
255.59731	2.9
259.20599	100.0
264.10181	38.9
264.60388	8.2
269.10693	1.8
273.10547	3.5
275.61060	9.0
277.21671	18.5
279.09238	2.6
284.61484	3.4
297.10123	5.8
319.09833	2.1
333.24445	2.4
351.08582	3.8
351.12354	3.8
351.16217	2.4
351.21393	13.6
351.25327	64.2
352.25259	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01871	8.3
55.05516	13.5
56.96562	7.0
57.03440	8.1
57.07076	3.7
61.02909	2.2
65.03939	1.7
67.05509	30.2
69.07077	15.3
71.04994	2.7
71.08620	2.9
71.55561	2.5
71.55949	2.3
77.03980	1.7
77.30051	1.5
79.05055	3.3
79.05498	40.0
81.03424	2.6
81.07066	56.5
81.07523	3.2
83.04989	3.9
83.08627	6.9
85.02906	1.9
85.06542	3.2
91.03951	2.1
91.05490	37.6
93.07055	45.1
95.04964	3.9
95.08617	25.8
97.06532	5.7
97.10171	2.7
98.97588	4.1
99.08116	3.4
100.36089	1.7
105.07046	28.2
107.08603	33.0
109.06532	16.7
109.10167	9.5
111.04456	17.9
111.08094	4.0
116.98607	2.2
117.07024	5.9
119.08604	29.6
121.06547	1.7
121.10147	21.4
123.08103	3.0
123.11668	2.6
124.99270	1.8
125.06026	4.4
129.07007	4.7
131.08600	13.3
133.10136	25.3
135.08105	4.1
135.11708	21.6
137.05994	100.0
137.09673	3.1
137.13249	2.4
143.08589	5.8
143.19783	1.7
145.10155	10.6
147.08087	2.5
147.11707	29.1
149.09642	3.4
149.13271	13.4
151.07527	3.6
151.11226	2.3
157.10158	7.8
159.11699	9.6
161.09653	5.3
161.13287	17.6
163.11232	5.1
163.14909	3.8
165.09163	2.6
165.12695	1.8
171.11737	5.5
173.13260	6.0
175.11269	5.0
175.14838	8.8
177.12740	1.8
181.71478	1.7
185.13300	8.5
189.12773	2.7
189.16403	1.9
197.13257	1.6
199.14914	4.4
203.17944	5.5
213.16440	4.9
217.19644	3.5
221.19090	2.3
223.14946	1.9
227.10727	6.7
231.17493	9.8
231.21080	2.6
241.19542	17.5
241.87177	1.7
249.18539	9.7
251.11023	1.9
259.20599	42.3
267.09961	2.0
273.09091	3.4
276.07852	2.8
277.18033	39.3
277.21585	8.8
285.10229	3.4
289.08557	2.2
290.09561	3.3
291.10175	1.9
295.19104	5.9
319.09698	10.7
323.09091	2.2
333.20502	2.2
333.24313	4.0
341.03699	1.7
351.08777	4.2
351.12357	3.7
351.21390	20.3
351.25381	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	351.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61539	3.4
52.50992	3.3
53.03951	4.5
55.01868	5.2
55.05511	19.0
56.96568	12.0
57.03428	11.8
67.05510	55.8
69.03428	4.4
69.07091	21.9
69.25089	22.5
69.25511	9.8
71.05000	3.6
71.08634	8.9
79.05498	40.4
79.72251	3.1
81.07062	46.2
83.08608	9.5
91.05490	44.8
93.07049	54.0
95.04990	8.5
95.08611	34.4
97.06555	7.6
99.08088	7.3
105.07025	37.8
107.08617	34.3
109.06525	4.3
109.10146	13.6
117.07067	5.2
119.08586	32.3
121.10162	22.8
129.07016	6.2
131.08565	14.5
133.10130	30.4
135.11717	23.2
137.05994	100.0
143.08612	4.6
145.10147	12.3
147.11697	26.1
149.13268	12.5
151.11151	4.7
157.10110	5.4
159.11690	10.3
161.13255	19.1
163.11147	3.9
163.14778	5.4
165.12759	4.0
171.11766	8.8
173.13235	6.0
175.14844	10.9
178.25270	3.8
179.14264	4.3
182.04497	4.7
185.13185	5.3
199.14734	3.8
227.10617	5.8
241.19495	13.9
243.09106	4.4
251.10727	3.5
259.20660	29.8
277.21667	10.6
306.20828	5.3
333.17398	19.4
343.99448	3.7
351.12555	5.7
351.18277	20.4
351.25409	42.6
369.19724	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.05516	23.6
57.03430	5.2
57.07077	8.8
67.05511	41.4
69.03417	6.0
69.06723	4.7
69.07072	55.7
69.52277	16.7
71.04989	11.4
71.08596	6.2
79.05502	30.4
79.48817	2.7
81.07064	60.1
83.04959	3.9
83.08624	17.9
85.06535	4.8
91.05482	47.0
93.07047	68.5
95.04974	20.5
95.08610	60.0
96.85889	2.8
97.06549	15.7
97.10149	6.4
103.05462	4.4
105.07038	99.2
106.07320	4.8
107.08608	61.0
109.06532	8.6
109.10162	45.8
111.11736	3.8
115.72933	2.9
116.06212	3.2
117.07041	15.1
119.08595	100.0
120.08875	5.4
121.06519	10.2
121.09439	3.7
121.10172	42.9
123.08061	3.1
123.11742	16.1
128.06195	5.3
129.06985	15.4
130.05676	3.1
130.07805	5.4
131.08594	39.2
132.08951	3.7
133.10149	47.7
135.08073	20.3
135.11734	17.9
137.13255	10.4
137.20987	3.0
142.07835	17.7
143.08548	30.1
144.09196	4.1
145.10143	44.3
146.07274	7.3
146.10428	4.1
147.08022	8.6
147.11699	30.4
149.09636	15.2
149.13272	5.1
155.08543	9.2
156.09305	9.5
157.10149	42.8
158.10759	5.0
159.08038	4.0
159.11722	26.4
161.09628	44.4
161.13254	18.7
162.13638	3.0
163.11226	3.9
168.09183	4.4
169.10109	10.2
170.10670	3.2
171.11737	30.3
172.12096	3.1
173.13255	12.7
175.11171	6.4
175.14813	18.1
177.16408	15.2
179.08630	6.5
181.10118	5.9
183.11674	9.6
185.09595	3.3
185.13307	10.6
187.14880	4.6
189.16321	8.8
194.10889	7.1
195.11671	11.4
197.13225	10.0
199.14839	7.2
201.16318	7.1
203.18019	7.1
209.13249	16.5
211.14828	11.1
213.16440	4.6
215.14195	3.3
223.14777	5.9
225.16473	4.1
227.14352	4.5
240.18428	5.1
241.19487	5.9
253.19485	4.9
255.21021	5.7
333.25812	7.6
351.26840	29.1
358.54919	3.3
371.71280	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	352.1611
Annotation	AC1NS4SC
Peak:m/z	Relative Intensity
55.01876	2.0
55.05508	2.5
55.61618	1.1
56.96559	2.1
57.07085	1.3
60.04546	2.7
61.02935	1.4
63.48093	1.1
67.05517	3.5
69.03436	5.1
69.07073	9.7
70.04601	5.0
70.06588	3.5
72.08160	15.9
81.03416	3.3
84.08144	3.3
85.02902	11.3
85.06558	1.6
86.09713	10.5
87.00818	5.0
89.99099	1.5
91.05489	5.4
97.02920	7.1
98.97582	3.0
99.04491	1.5
105.01861	10.5
105.03396	2.9
109.02885	2.8
119.04943	5.7
120.01162	1.9
120.08112	12.9
127.03928	9.4
132.10176	2.7
136.06197	88.7
136.07579	38.3
145.05022	6.9
148.06190	3.6
159.11371	2.1
166.08658	4.3
185.08234	5.4
187.10773	4.4
193.09731	21.1
197.14799	1.3
202.10928	10.8
219.01822	1.6
220.11948	100.0
221.09286	4.0
221.12363	1.7
231.05054	2.8
253.11903	4.7
263.07608	1.7
264.05057	1.3
352.06891	20.4
352.16241	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67302	4.8
53.03937	9.7
54.99454	4.2
55.01873	7.6
55.05494	4.5
57.03433	8.5
61.02893	6.3
63.76720	3.8
67.05507	5.7
69.03142	3.7
69.03435	46.4
69.06725	7.3
69.07071	91.4
70.06581	7.7
70.78313	5.8
70.78624	6.1
71.04984	7.0
73.02936	4.6
78.91023	3.7
81.03413	28.3
81.07064	6.5
85.02906	100.0
87.00828	50.4
91.05494	9.4
93.07011	4.7
94.04349	4.1
97.02896	66.4
97.06486	5.7
99.04453	19.9
101.61870	4.0
105.01199	4.7
105.01878	92.2
105.07024	4.7
106.05015	4.0
107.08605	6.7
109.02885	25.8
121.10103	4.6
123.22460	3.8
127.03915	76.2
145.04976	74.0
145.06029	8.1
154.82005	4.5
159.02872	16.5
208.76218	4.3
213.14862	5.4
231.05009	23.0
249.06081	7.8
334.16736	7.2
343.11301	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	353.0848
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
65.28280	1.8
69.03429	4.8
71.54147	2.7
73.02909	2.0
85.02940	10.0
97.02863	2.9
118.47636	1.9
118.64795	2.3
125.65115	2.2
127.03928	4.5
136.38857	1.8
141.19279	2.0
143.01930	5.3
145.04912	2.3
155.01837	3.0
183.05031	4.7
185.02916	2.5
192.05553	3.2
227.04057	2.2
245.05115	7.9
275.06281	1.9
353.08487	100.0
365.09445	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	353.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54099	1.4
53.03947	2.7
55.01873	5.2
55.05506	6.0
56.96564	2.6
57.03436	4.3
57.07059	2.4
60.76153	1.7
61.02932	1.6
67.05508	3.6
69.03436	19.2
69.07078	14.1
70.06585	4.0
71.04999	2.4
71.54723	2.3
73.02922	1.9
79.05491	6.4
81.03426	5.0
81.07063	7.0
83.04977	8.0
83.08629	3.4
84.08158	1.7
85.02921	12.7
85.06524	2.0
86.03267	2.6
87.00864	2.2
91.05492	9.4
93.07059	8.5
95.04985	3.7
95.08620	10.8
97.02919	8.3
97.06550	8.5
98.97601	4.2
99.04456	1.7
105.01890	2.7
105.07041	13.5
107.04956	3.6
107.08604	34.7
109.02904	2.2
109.06505	4.2
109.10178	6.3
111.08086	2.1
115.05436	1.7
116.98640	2.4
117.07072	3.4
119.08597	37.6
120.08092	2.4
121.06520	14.9
121.10143	20.6
123.08065	3.5
127.03928	5.1
129.06943	1.6
131.04979	1.6
131.08563	10.7
133.06438	1.8
133.10150	30.1
135.04427	1.6
135.08070	16.5
135.09027	2.4
135.11710	12.8
137.06068	2.2
137.09586	9.0
143.08556	2.8
145.10161	7.2
147.11702	27.9
149.09613	6.1
149.13260	15.1
151.03909	4.0
158.10930	7.2
159.11702	2.0
161.05949	1.7
161.09639	3.7
161.13322	2.8
163.03940	4.6
163.14862	8.5
167.07069	6.4
171.11739	1.6
173.09669	2.3
173.13269	25.8
174.10573	1.4
175.14835	26.5
187.11156	1.6
187.14705	1.8
189.12665	2.4
191.07072	5.6
191.14326	100.0
192.07742	1.9
192.14821	2.6
199.07512	1.6
199.30406	1.8
200.07314	1.5
203.08493	1.7
203.14401	2.2
207.13727	2.4
209.15437	1.4
215.14391	1.6
218.07294	2.0
222.01878	2.0
225.27559	1.4
231.08382	1.8
233.09703	2.6
233.15384	2.7
237.02983	2.3
250.06134	1.7
252.02974	2.4
261.09125	3.1
278.09399	2.9
287.16437	3.3
289.08685	4.9
293.11957	2.1
306.09018	1.7
307.09741	1.9
317.17557	2.2
320.10660	1.6
321.07623	2.3
321.11194	6.9
325.14307	2.0
335.18576	4.9
353.10086	4.1
353.13821	8.3
353.19699	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	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61576	0.6
54.03911	0.4
70.66341	1.5
97.06525	0.8
126.09375	0.5
166.02245	0.5
168.20636	0.5
191.59021	0.5
330.31107	0.5
335.20978	1.5
353.23001	100.0
354.23465	2.9
371.23291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2328
Annotation	CAPILLOLIDE
Peak:m/z	Relative Intensity
52.00687	0.9
53.03946	2.3
55.01863	1.1
55.05515	6.2
57.03434	2.0
61.02926	1.5
65.03951	1.6
67.05516	14.0
69.03426	3.0
69.07051	3.6
70.06561	1.2
70.32547	1.9
70.32935	1.8
71.04997	2.0
79.05067	1.1
79.05503	17.7
81.03385	0.8
81.07066	23.9
82.18467	0.9
83.04970	2.2
83.08615	2.2
84.08162	2.2
85.02921	1.2
86.09696	1.1
91.04963	1.6
91.05489	21.0
93.06470	1.6
93.07052	28.1
95.04984	4.5
95.08618	29.0
97.06515	4.0
97.10188	1.9
98.97621	1.0
103.05498	1.8
105.07043	39.6
107.04949	2.3
107.08607	34.6
109.06532	8.6
109.10170	19.1
111.08086	3.3
113.06005	1.2
115.05495	1.1
116.98618	1.1
117.07027	6.4
119.08585	27.9
121.06519	85.0
121.10149	21.9
122.06841	1.3
123.07191	1.6
123.08084	33.9
123.11723	8.5
125.05874	1.0
125.09609	1.4
129.07014	3.4
130.07755	1.2
131.08585	12.6
133.06519	8.1
133.10132	14.0
135.08067	41.6
135.11697	14.0
136.08382	1.1
137.05981	2.6
137.09631	11.2
139.07533	1.9
139.11186	2.3
140.18777	0.9
141.06993	1.9
142.07800	2.4
143.08562	7.1
145.10127	14.4
147.08064	22.6
147.11696	17.8
149.09639	7.6
149.13251	2.9
150.09190	1.6
151.03918	1.3
151.07555	11.6
151.11264	2.0
153.09123	1.4
155.08574	4.8
156.09331	1.6
157.10136	11.0
159.08034	4.4
159.11713	9.5
161.09648	16.7
161.13237	5.1
163.07619	1.3
163.11176	3.2
165.09103	5.9
165.12781	4.2
167.08597	1.0
169.08861	0.9
169.10101	4.8
171.07994	2.0
171.11688	8.3
173.09666	8.5
173.13277	5.0
175.11177	5.9
175.14847	1.1
177.09201	1.6
177.12708	1.4
179.10800	1.1
181.10100	2.4
182.10957	1.2
183.10260	1.1
183.11739	5.6
183.13142	1.1
184.12486	1.5
185.09683	2.7
185.13252	5.5
187.07498	0.9
187.11200	4.0
187.14810	2.7
189.12784	1.8
191.07060	1.3
191.10677	2.1
191.14310	1.1
195.11691	2.6
196.09644	1.4
196.12323	1.4
197.13298	5.5
199.11191	3.4
199.14845	5.0
201.12796	2.2
201.16455	1.0
207.11696	1.4
209.13312	2.4
211.14760	4.1
213.12769	3.3
213.16423	3.2
215.14323	4.0
215.17934	1.0
217.15939	2.1
221.13301	1.1
223.14787	2.8
224.09264	1.1
225.12857	1.5
225.16382	2.4
227.14352	1.8
227.17929	2.9
229.12294	0.9
229.15904	2.5
229.19469	1.6
233.15414	2.6
237.16449	1.5
239.14316	1.5
239.18022	2.7
241.15976	2.6
241.19585	3.5
243.13620	1.0
243.17490	2.8
245.19070	2.1
250.56119	0.9
251.18120	1.7
253.19540	5.2
255.17526	3.0
257.18994	5.9
259.16946	1.1
259.20663	2.3
269.19046	15.1
271.20605	7.3
273.18582	3.4
275.20117	3.4
279.19589	3.2
281.19104	7.1
287.20108	11.4
289.21725	2.7
299.20044	14.2
305.21112	10.7
307.22586	3.0
317.21085	10.2
335.22168	14.1
353.10229	1.8
353.15717	11.2
353.23251	100.0
354.23645	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2325
Annotation	CAPILLOLIDE
Peak:m/z	Relative Intensity
50.17471	1.0
53.03944	2.1
53.71846	0.9
55.01844	1.1
55.05505	4.3
57.03439	1.2
61.02939	1.1
67.05217	1.0
67.05518	11.2
69.03436	1.6
69.07064	4.0
70.20226	2.4
70.20615	2.4
71.04990	1.6
71.37975	0.8
79.05500	13.5
81.03430	1.3
81.07066	22.6
83.04998	2.0
83.08606	1.9
85.02908	1.1
91.05490	17.3
92.41097	1.1
93.07058	27.6
93.20554	1.2
95.04964	4.0
95.08614	26.8
97.06548	2.9
98.20810	1.0
98.97554	1.0
103.05486	2.1
105.07038	37.9
105.08083	1.5
107.04958	2.0
107.08604	33.3
109.06528	9.4
109.10169	15.7
111.08102	3.0
117.07048	4.8
119.08591	29.5
121.06516	80.0
121.10146	17.5
123.08089	29.9
123.11728	6.3
125.09593	1.9
129.07031	2.8
131.08595	11.7
133.06541	6.3
133.10139	12.7
135.08072	36.1
135.11716	10.2
137.09630	9.4
137.13283	1.9
139.11189	1.5
141.07043	1.6
142.07748	2.5
143.08556	6.3
145.06517	1.5
145.10144	13.0
147.08070	18.8
147.11717	13.5
149.09651	5.2
149.13272	3.9
151.07533	9.0
151.11200	1.3
153.09201	1.9
155.08539	3.2
157.10127	11.7
158.07260	1.4
159.08064	3.8
159.11693	9.6
161.09639	15.7
161.13258	4.7
163.11205	2.7
165.09111	5.1
165.12767	4.3
167.07135	1.9
169.10143	4.3
171.11678	6.7
173.09663	5.8
173.13274	4.4
175.11234	7.1
175.14822	2.1
177.12723	1.4
179.05011	1.1
181.10139	1.8
183.10255	1.4
183.11758	4.0
185.09637	3.0
185.13277	5.3
187.11224	4.9
187.14842	3.1
189.12724	1.2
191.10698	2.0
195.11716	2.8
197.13342	6.1
199.07539	1.0
199.11234	4.1
199.14853	4.9
201.12688	2.1
203.14484	1.3
209.13251	1.7
211.14833	3.8
213.12737	3.1
213.16362	2.6
215.14313	3.6
217.15999	2.4
221.13269	1.3
223.14763	2.3
225.16389	3.0
227.14214	2.7
227.18015	2.2
229.15878	1.4
229.19603	1.3
233.15369	2.5
239.17944	3.1
241.15919	2.3
241.19547	3.7
243.17380	2.1
245.18977	1.3
251.18010	2.0
253.19469	5.0
255.17387	3.1
257.19012	4.7
259.17084	1.4
259.20511	1.5
269.19025	10.7
271.20569	6.7
273.18384	3.0
275.20059	3.0
279.19415	2.4
281.19043	7.7
287.20026	11.9
289.21588	2.4
299.20120	13.9
305.21121	13.1
307.22580	2.0
317.21078	10.3
321.11420	1.8
335.22223	13.9
353.14020	5.7
353.23239	100.0
354.23495	2.7
354.73749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01841	3.7
55.05510	21.3
56.96560	11.4
57.03426	7.4
57.07066	11.0
65.03943	5.7
67.05167	5.1
67.05505	46.2
69.03417	5.1
69.07090	21.7
70.41607	7.0
70.41978	7.7
71.04984	26.2
71.08655	15.7
77.03932	3.9
79.05495	33.1
81.06588	4.3
81.07059	68.5
83.04985	5.6
83.08604	12.7
85.06535	11.0
85.10178	10.2
86.25650	3.3
91.05486	45.4
93.07048	56.3
95.04971	58.8
95.08611	54.6
97.06559	17.3
97.10172	3.7
99.08092	10.9
105.07032	54.7
107.08595	58.0
109.06544	19.9
109.10173	26.4
111.04366	3.3
111.08092	4.3
113.09637	13.4
115.05428	6.0
117.07018	15.3
119.08589	56.9
121.06548	8.9
121.10147	35.5
123.08055	12.8
123.11707	17.8
128.06216	10.9
129.06990	10.5
130.07823	3.3
131.08578	39.4
133.10136	53.1
135.08047	35.6
135.11664	33.9
137.09596	10.4
137.13261	7.4
139.11130	4.5
141.06972	4.3
142.07791	16.1
143.08566	34.0
145.10129	40.8
147.08025	12.4
147.11681	21.4
149.06007	4.7
149.09607	19.5
149.13234	10.4
151.11119	5.5
155.08545	13.1
156.09319	6.9
157.10155	42.9
159.08040	9.1
159.11748	24.5
161.09636	46.3
161.13254	12.7
163.11197	12.0
163.14812	7.7
165.07004	5.6
165.12778	4.3
167.08546	5.4
169.10114	26.1
170.10904	4.6
171.11693	27.1
173.09613	7.4
173.13286	28.0
175.11163	8.0
175.14774	7.6
179.08527	3.8
180.09317	4.5
181.10106	7.7
182.10916	7.7
183.11667	17.9
185.09633	4.5
185.13205	14.1
187.11111	7.5
187.14801	14.1
189.12706	5.7
189.16354	5.3
193.10184	7.2
195.11699	17.1
197.13292	24.2
199.11263	6.3
199.14810	8.1
201.12787	8.6
205.15799	5.0
207.11630	9.9
209.13219	13.6
211.14845	9.2
213.12672	17.3
213.16408	5.6
215.14380	26.0
217.15852	5.2
221.13336	10.1
223.14920	7.4
227.14345	9.7
229.15987	3.4
231.13803	4.6
235.14871	5.8
237.16391	7.0
239.14287	3.7
243.21069	5.2
247.14679	4.1
251.17886	3.9
253.19485	4.5
261.22092	11.4
265.19553	9.3
269.19086	7.3
271.20728	3.4
277.19574	10.6
279.23172	13.2
283.20587	4.6
293.22778	14.1
295.20508	17.5
309.22049	4.9
311.23575	8.3
317.22556	6.2
325.14078	4.7
335.18533	3.2
335.19943	4.3
335.23663	38.2
353.10178	9.9
353.16608	4.2
353.24564	100.0
370.87564	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	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	2.4
55.05511	14.4
57.03437	5.7
57.07081	4.6
65.03939	3.1
67.05509	89.8
69.06781	1.1
69.07068	11.8
69.36597	7.9
71.04991	2.1
71.08623	0.9
79.05497	38.8
79.39425	0.9
81.07063	100.0
83.05003	1.7
83.08624	8.1
85.06531	3.2
91.05484	18.9
93.07049	55.3
95.04976	2.4
95.08612	69.9
97.06508	3.1
97.10165	3.3
98.21503	1.1
105.01904	1.0
105.07037	15.9
105.82475	1.0
107.08604	33.6
109.06493	1.5
109.10164	39.4
113.09681	1.6
114.69987	1.0
117.07036	8.1
119.08589	13.3
121.06637	0.9
121.09309	1.9
121.10147	29.5
123.08060	1.7
123.11720	23.3
131.08577	18.2
133.10127	12.2
135.11710	24.9
137.09561	1.8
137.13243	7.8
145.10129	14.0
147.11708	11.3
149.13257	21.4
149.63402	0.8
151.14848	2.0
153.12660	1.2
155.78069	1.0
159.11697	12.7
161.13281	9.7
163.11171	1.5
163.14822	12.9
163.39096	1.0
165.12717	2.0
165.88344	1.1
173.13271	15.9
175.14796	3.6
177.16371	5.0
179.14326	1.7
187.14815	8.5
189.16377	1.4
191.14291	2.0
193.32510	1.0
201.16360	3.1
205.15903	1.8
219.17564	1.4
233.18979	1.3
233.22661	4.0
234.61064	1.0
243.21107	20.3
244.21577	1.1
261.22162	89.3
262.22333	1.8
279.23206	8.2
335.25772	10.8
353.26868	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03413	1.6
53.03954	4.3
55.05516	17.2
57.03437	3.1
57.07065	5.6
64.75987	1.7
65.03949	2.5
67.05511	93.8
69.07077	11.7
75.04468	1.8
79.05500	48.0
81.07065	92.0
83.08644	8.3
85.06550	3.0
91.05485	24.5
93.07053	59.7
95.04972	2.6
95.08617	70.2
97.06533	3.7
97.10177	3.4
99.08103	3.2
105.07062	16.4
107.08607	41.4
109.10163	32.8
111.08099	2.4
113.09633	1.9
115.77548	1.6
117.07024	13.5
119.08583	15.6
121.10162	33.2
123.11710	20.8
131.08565	18.3
133.10141	14.8
135.08029	1.9
135.11710	24.3
137.13280	6.8
138.94638	1.8
139.11169	2.8
145.10127	16.7
147.11691	11.3
149.13280	17.9
151.14842	2.5
159.11705	14.1
161.13252	10.5
162.16562	1.7
163.14842	15.6
173.13275	16.1
175.14848	3.5
177.16338	4.1
179.14325	2.4
187.14862	10.8
191.14340	2.0
201.16483	4.5
219.17473	2.1
233.22614	4.0
243.21111	23.1
244.19359	1.7
250.84297	1.6
261.22162	100.0
262.22626	2.6
279.23184	4.0
331.33679	1.8
335.25906	6.2
350.73578	1.8
353.26950	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	6.3
53.86863	1.9
55.05515	13.8
57.03434	5.2
57.07071	4.2
67.05505	85.5
69.07088	10.0
69.86337	5.7
69.86740	4.4
71.08636	2.9
75.04445	2.0
79.05495	39.8
81.07062	100.0
83.08613	6.2
85.06557	2.5
91.05496	17.8
91.07341	2.2
93.07046	52.7
95.04984	2.1
95.08610	67.5
97.06517	2.5
97.10185	3.2
98.20849	2.3
99.08089	2.2
105.07014	16.6
107.08594	31.8
109.10162	37.0
111.08092	2.3
117.07037	8.7
119.08599	13.5
121.10134	27.3
123.11697	18.0
131.08548	18.0
133.10162	10.8
135.11710	19.3
137.13245	8.7
145.10123	8.6
147.11694	8.3
149.13268	18.3
149.88087	1.7
151.14824	2.1
159.11728	12.2
161.13217	7.1
163.14828	10.9
173.13240	12.7
175.14825	3.3
177.16443	3.2
179.14343	2.8
179.74496	2.0
187.14832	7.6
201.16428	2.8
233.22646	3.3
243.21123	17.2
261.22162	81.2
279.23132	4.7
335.25833	9.6
353.26877	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	13.2
57.03434	2.7
57.07076	4.4
65.03954	2.7
67.05511	95.9
69.07079	11.9
71.05001	3.0
71.08623	3.7
79.05064	3.0
79.05501	43.7
81.07066	89.2
83.08616	6.9
85.06572	2.5
91.05481	22.9
93.06480	3.6
93.07055	58.5
95.05001	2.2
95.08618	72.2
97.06538	2.8
105.07059	17.1
107.07920	1.7
107.08607	33.6
109.10172	36.9
117.07051	12.0
119.08600	13.4
121.10163	35.0
123.11715	23.6
131.08588	19.1
133.10173	13.3
135.11708	27.6
137.09605	3.2
137.13277	5.6
145.10147	15.3
147.11754	12.0
149.13269	21.6
159.11699	16.0
161.13306	9.5
163.14809	10.9
173.13269	14.5
175.14880	3.7
177.16374	5.1
187.14825	9.4
201.16389	4.3
205.16003	2.0
214.98424	1.8
233.22775	3.7
242.48763	2.0
243.21144	25.3
261.22177	100.0
279.23157	2.5
335.25629	6.4
353.26910	24.2
368.57397	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03934	3.5
55.01873	1.8
55.05309	1.2
55.05522	17.1
57.03431	3.9
57.07071	4.5
65.03937	3.7
67.05512	100.0
69.07078	14.5
69.83935	6.0
71.05000	2.5
71.08645	1.8
78.76996	1.2
79.05067	2.6
79.05502	44.1
79.05968	2.2
81.07063	96.5
83.08634	7.7
85.06535	3.4
91.05486	19.7
93.07055	50.4
95.04982	2.6
95.08616	72.8
96.42480	1.2
97.06523	3.0
97.10162	3.9
99.08112	2.0
105.07030	16.5
107.08598	34.9
109.10162	37.9
109.10912	1.8
111.08090	1.8
117.07083	6.8
117.07732	1.4
119.08585	12.3
121.10159	31.4
123.08099	1.5
123.11720	21.9
125.09599	2.0
125.66093	1.3
129.07097	1.5
131.08575	17.5
133.10164	13.7
135.11717	21.5
137.09642	2.2
137.13245	7.6
138.95465	1.3
145.10143	13.6
147.11688	11.0
149.13249	16.5
151.14856	2.0
159.11674	11.3
161.13278	9.0
163.14845	13.7
165.12758	2.3
173.13280	14.5
175.14861	2.4
177.16443	3.8
179.14355	1.5
186.24982	1.3
187.14815	9.5
191.14311	2.6
200.11594	1.1
201.16502	3.0
233.22736	3.3
243.21136	19.4
261.22168	88.0
263.23828	2.0
279.23135	6.5
319.91092	1.3
335.25769	9.7
353.26971	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.05512	15.6
56.96568	2.3
57.03429	3.7
57.07065	7.5
65.03947	3.7
67.05511	100.0
69.07078	14.7
71.04980	3.3
79.05504	47.1
81.07066	96.5
83.04992	2.6
83.08633	8.2
84.49210	1.8
91.05494	25.6
93.07053	63.9
93.07634	3.8
95.05009	2.2
95.08615	67.3
97.06518	3.7
97.10178	4.2
99.03889	1.7
99.08082	2.8
99.63223	1.9
105.07040	27.1
107.08604	41.1
109.06513	2.7
109.10165	35.5
111.08100	3.2
113.09608	2.2
113.13545	1.8
117.07027	7.8
119.08589	15.5
121.10165	29.4
123.11735	17.7
126.15029	1.8
129.06978	1.6
131.08580	23.1
133.10152	15.2
135.11719	30.7
137.13229	9.6
145.10141	15.8
147.11703	11.4
149.01163	1.8
149.09608	1.7
149.13290	20.9
151.11177	2.5
159.11728	14.1
161.13263	10.9
163.14813	12.6
173.13289	16.6
175.14886	4.8
177.16351	3.2
187.14815	11.2
197.94952	1.7
201.16435	3.2
210.83665	1.7
233.22693	3.4
243.21115	20.3
253.98177	2.0
261.22180	95.6
279.23251	5.8
289.28406	1.8
302.59332	2.0
335.25854	4.8
353.26898	21.3
374.35077	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
55.05515	8.0
56.05034	13.6
56.96572	1.2
57.03429	1.8
60.04536	5.8
66.02692	0.9
67.05506	17.3
68.05009	1.4
69.07075	11.8
70.06605	2.0
71.04997	0.9
71.08632	2.5
71.10890	1.8
79.05499	6.7
81.07056	10.6
82.06568	2.4
83.04965	3.8
83.08614	2.3
84.08155	1.4
91.05459	7.0
93.07043	11.8
94.06573	2.3
95.04970	1.9
95.08604	9.0
97.06516	2.9
97.10171	1.9
98.28551	1.0
99.08086	2.3
105.07035	4.0
107.08604	6.7
108.08098	2.0
109.06489	1.3
109.09460	1.4
109.10162	18.9
111.08059	1.6
111.11703	1.9
116.25310	1.0
117.06991	1.7
119.08596	8.3
120.19202	0.9
121.10123	2.8
123.11689	1.0
125.09627	3.2
126.12778	2.0
133.10139	1.7
134.03059	1.3
135.11700	1.5
136.11206	3.7
137.09628	12.9
138.12711	1.0
140.14304	1.4
147.11627	2.2
149.13258	1.3
151.11163	1.4
154.12273	100.0
155.12634	1.4
161.13286	2.1
167.10619	4.8
169.41000	0.9
172.13336	49.5
173.11732	3.4
175.14799	1.0
177.12648	1.2
182.15514	1.3
196.13338	37.0
214.14377	11.0
231.21025	1.1
259.20673	2.1
276.15762	0.9
276.23245	4.0
277.21591	12.0
294.24307	18.1
308.25574	2.8
318.24490	1.4
336.25375	6.5
354.26385	25.3
355.07883	1.0
355.18665	1.7
355.26678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3369
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05519	11.8
57.07084	13.2
58.02969	0.9
58.06606	16.1
58.17636	0.7
60.04514	2.5
64.93398	1.1
65.76522	0.9
67.05521	6.9
69.06726	1.3
69.07079	19.2
70.02946	3.3
70.06605	7.1
70.24573	0.7
70.78976	1.3
70.79305	1.5
71.04990	1.1
71.08643	7.6
72.04510	2.4
72.08174	1.1
74.06078	1.6
74.15347	1.0
79.05492	2.2
81.07068	11.6
81.62711	0.8
82.06582	2.8
83.04987	1.4
83.08615	10.1
84.08163	5.4
85.10175	3.3
86.06079	5.2
87.06860	1.8
88.07629	0.9
93.07049	2.2
95.08625	12.9
97.10192	8.6
98.06081	1.0
98.09685	1.1
98.21383	1.1
105.07022	1.2
107.08595	1.2
109.10163	6.0
111.11720	3.2
123.11739	3.2
125.13274	2.0
137.13316	1.2
201.85663	1.0
212.23083	0.9
294.31528	3.1
306.31653	2.9
307.30026	2.7
308.33200	3.6
326.34244	3.9
336.32605	13.8
337.30957	1.2
344.99100	1.0
354.33713	100.0
355.34048	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1027
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.23826	0.6
52.70702	0.4
57.01927	0.5
58.33212	0.5
63.02366	0.7
69.87167	2.8
79.05486	1.0
83.04961	0.5
89.03922	6.9
95.05005	0.6
105.03391	0.6
107.04951	2.6
110.11369	0.5
117.03400	8.3
120.95766	0.5
135.04431	14.7
135.06650	1.2
145.02853	11.9
153.07751	1.4
157.10320	0.5
163.03915	100.0
164.04327	0.6
181.04892	1.0
204.37538	0.5
246.04947	0.5
247.26906	0.5
248.32675	0.6
330.96619	0.5
334.53214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1542
Annotation	Alisiaquinol
Peak:m/z	Relative Intensity
50.30540	0.7
53.03938	1.6
54.47583	0.8
55.01878	4.8
55.05500	2.0
66.90392	0.7
67.05510	6.6
69.03425	1.5
69.06727	1.2
69.07075	18.2
70.23528	2.8
71.01363	2.1
71.04971	0.9
79.05497	15.6
81.03407	1.7
81.07059	1.6
83.04967	2.8
91.05492	1.4
92.22154	0.8
93.07059	1.3
94.45954	1.0
95.04976	5.1
97.06538	100.0
105.07054	1.4
109.02881	3.2
115.05459	1.8
117.07069	1.0
119.08556	0.9
121.06554	1.3
123.04453	2.0
128.06258	2.4
129.06990	4.3
131.04918	1.7
131.08589	1.7
133.10155	1.1
137.06035	1.0
141.06987	3.3
142.07751	1.4
143.04897	1.2
143.08577	2.5
144.05768	1.1
145.06508	6.6
147.04430	1.7
147.07951	1.0
152.06189	0.9
155.08548	1.6
157.06508	1.7
157.10231	1.4
159.08051	3.1
160.05246	4.4
160.08815	4.7
161.05984	14.5
163.03934	2.0
165.07034	1.6
167.08603	2.5
169.06517	2.4
169.10220	1.0
171.08032	2.9
172.05241	0.9
173.05988	5.6
174.06841	1.6
175.04022	1.1
175.07590	1.8
183.08096	2.6
184.05334	1.0
185.05978	2.6
185.09630	3.3
187.07501	5.3
188.08328	2.4
189.05453	2.3
189.09120	17.0
195.08165	5.6
197.06023	2.1
197.09660	1.2
198.06815	1.8
199.07555	15.9
201.05495	4.5
201.09085	3.0
202.09842	1.3
203.06972	1.9
209.09628	1.7
211.07567	4.1
211.11142	1.3
212.08401	2.4
213.05545	1.6
213.09175	6.2
214.06226	2.7
215.07072	6.8
215.10654	3.0
216.07813	3.9
217.08627	3.8
223.07581	2.0
225.09097	2.1
226.06248	1.4
227.07057	2.8
229.04950	2.5
229.08664	3.3
230.09496	1.4
231.10255	1.9
239.07079	2.0
239.10785	1.0
241.08624	10.4
241.12230	11.8
243.06557	1.6
255.10162	0.8
257.08096	1.4
257.11719	1.8
258.08887	5.7
259.09647	10.4
265.12335	1.7
267.13782	3.0
269.08051	2.4
269.11517	2.0
271.09680	0.9
283.13324	1.8
285.11322	1.6
285.14923	2.6
287.09119	1.1
293.11771	1.2
299.12753	4.1
309.14871	1.2
311.12769	10.5
311.16385	2.5
313.10669	5.0
313.14383	14.7
327.15967	2.7
337.14297	6.8
355.15417	57.8
356.15802	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1731
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05515	0.9
56.96583	0.6
69.46176	3.4
73.04758	0.6
79.05497	0.5
81.07071	0.5
83.08652	0.5
84.08155	0.7
85.02901	1.1
86.09703	0.7
87.00825	0.6
91.05486	0.9
93.07076	0.7
95.08617	0.6
96.82635	0.4
97.02907	0.5
100.11258	0.6
119.08524	0.7
122.06010	0.8
131.00201	0.5
137.05971	1.7
147.04440	1.6
149.09535	1.2
153.22421	0.4
163.03928	1.3
182.15425	0.7
185.80042	0.6
193.12149	0.5
201.03735	8.5
201.05501	0.8
203.05292	5.3
210.14958	1.2
267.12674	0.5
270.31073	0.5
292.07550	0.4
338.19589	2.6
355.17322	100.0
356.17615	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.49746	3.3
51.26705	3.6
55.01868	4.2
55.05515	38.7
56.03149	3.6
57.03434	12.3
57.07078	12.3
67.05170	6.5
67.05511	82.9
69.07082	43.6
70.70168	8.8
70.70546	7.4
71.08634	5.5
79.05483	31.7
79.59782	3.4
81.06583	6.1
81.07060	99.9
82.39691	3.2
83.08624	32.7
83.15437	3.8
85.06540	4.8
91.05508	24.3
93.07044	34.6
95.08611	100.0
97.06541	6.3
97.10196	24.9
99.08099	4.1
105.07028	15.7
107.08596	20.9
109.10161	49.7
111.11716	10.6
119.08585	18.0
121.10188	32.3
123.11750	20.7
125.09664	3.8
133.10144	17.1
135.11708	13.8
137.13271	13.7
143.85844	3.6
147.11696	11.6
149.13257	10.6
151.14868	4.8
159.65143	3.9
161.13293	14.1
163.14775	9.7
165.16405	9.0
175.14801	9.2
189.16350	6.8
245.22690	47.9
247.23932	4.3
263.23709	52.2
337.27368	32.4
355.28375	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	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03954	2.9
55.01891	1.6
55.05513	38.8
57.03451	9.4
57.07075	15.6
65.03938	2.7
67.05511	83.4
69.07076	45.0
70.79807	3.6
70.80144	2.3
71.05006	2.8
71.08637	5.9
76.26660	1.8
79.05504	28.1
81.07066	100.0
83.04998	4.3
83.08633	31.2
85.02865	1.8
85.06535	4.0
85.10186	3.2
91.05490	19.4
93.07050	34.3
95.08616	84.3
97.06536	12.2
97.10181	24.6
99.08112	3.5
105.07035	15.5
107.08605	22.8
108.08982	1.6
109.06506	2.2
109.10168	45.1
111.08129	6.2
111.11732	7.5
113.09663	1.7
119.08584	19.0
121.10160	27.5
123.08063	2.6
123.11716	26.3
125.09686	2.2
125.13327	2.0
127.11201	2.9
133.10136	15.9
133.87038	1.9
135.11681	13.6
137.09639	2.5
137.13268	9.9
139.11200	3.6
141.12811	1.9
147.11685	12.7
149.13272	15.4
151.11238	2.5
151.14828	6.3
153.12721	2.0
155.14391	3.0
161.13283	17.2
163.14833	18.5
165.16411	7.2
167.14282	2.3
175.14857	10.5
177.16443	2.2
179.14378	3.9
179.17981	3.2
189.16400	8.1
199.63913	1.6
203.17987	2.7
206.45860	1.5
229.07596	1.8
245.22679	53.4
263.23721	53.3
337.23703	3.0
337.27423	32.0
355.28247	6.5
356.15503	1.6
356.35461	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	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01880	2.9
55.05516	30.8
56.90009	1.8
56.96566	2.0
57.03437	8.2
57.07089	14.4
61.27499	2.3
67.05510	73.7
67.97844	2.0
69.03500	1.9
69.06720	3.5
69.07074	39.1
70.23504	3.9
70.23888	3.8
71.04984	4.2
71.08636	6.4
75.76849	1.9
79.05495	25.0
81.07062	100.0
83.08633	28.8
85.06533	2.5
85.10193	3.9
89.63599	2.2
91.05483	16.9
93.07057	33.7
95.08617	79.6
97.06513	12.0
97.10181	21.5
99.08092	4.2
105.07035	14.0
107.08604	28.7
109.10170	41.2
111.08096	8.0
111.11724	6.2
119.08586	14.5
121.10165	30.2
121.48045	1.9
123.11724	21.8
127.11237	2.3
133.10152	21.6
135.11707	18.5
137.13254	10.2
139.11153	2.8
139.14835	2.2
147.11723	11.3
149.13261	17.3
151.11255	2.5
151.14839	6.9
153.12724	2.6
161.13278	14.5
163.14819	14.3
165.16402	7.8
169.06595	2.0
170.54897	2.0
175.14859	12.8
177.16458	2.6
179.14246	2.8
179.18039	5.2
181.15906	2.2
189.16382	6.8
211.06520	3.1
217.07428	2.3
228.94868	2.0
229.07547	9.4
230.07854	3.9
245.22670	46.2
247.08517	6.1
252.09065	2.3
263.23724	43.8
326.78439	2.2
337.27374	22.5
356.35165	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82186	1.6
55.02484	1.7
55.05520	13.7
57.03419	3.8
57.07073	5.4
67.05511	33.7
67.54319	1.5
69.07076	17.2
71.04983	1.9
71.08620	3.2
79.05480	13.0
81.03406	2.3
81.07063	43.3
83.08633	13.2
85.76731	1.4
86.88813	1.7
91.05439	8.2
93.07059	13.4
95.04979	2.0
95.08612	31.3
97.06548	4.6
97.10168	7.7
105.07024	5.5
107.08602	14.5
109.10171	17.4
111.11726	2.5
119.08571	7.5
121.10146	12.7
123.11703	7.1
130.21732	1.5
131.08591	2.5
133.10155	6.7
135.11681	6.9
137.13269	2.5
139.11290	2.3
147.11758	3.2
149.13232	5.5
151.14761	2.6
161.13251	5.0
163.14824	4.7
165.16437	2.8
170.57718	1.8
175.14845	4.5
181.21112	1.6
189.16400	2.6
221.62946	1.8
245.22673	18.5
263.23792	16.1
282.66718	1.7
291.27325	1.6
323.80792	1.7
331.45102	1.5
337.27365	8.6
355.28223	100.0
356.28363	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03943	2.1
54.07589	1.7
55.01863	1.9
55.05516	36.6
57.03437	10.3
57.07073	13.2
65.03951	1.8
67.05510	83.9
67.24318	1.6
68.05835	1.6
69.07075	45.2
71.04984	3.4
71.08653	7.8
79.05064	2.2
79.05496	27.6
81.07063	100.0
83.04984	2.1
83.08156	1.7
83.08623	25.9
85.06514	2.5
85.10172	4.1
88.07603	2.0
91.05479	19.9
93.06479	2.7
93.07049	36.9
95.04948	2.0
95.08612	97.2
96.57312	1.5
97.06540	13.5
97.10178	24.3
98.21504	4.4
99.08102	4.4
104.09015	1.3
104.40924	1.5
105.06390	1.8
105.07037	15.7
107.08598	24.1
109.10162	50.0
111.08081	5.9
111.11707	9.5
113.09606	2.2
119.08587	16.0
121.10152	35.2
122.12564	1.5
123.08064	1.6
123.11711	22.1
125.09615	4.1
125.13235	3.0
127.07607	1.9
127.11174	2.2
129.05482	2.7
131.08571	2.1
133.10155	21.3
135.11691	22.7
137.09619	3.2
137.13277	11.7
139.11143	1.7
141.12794	2.3
147.11714	14.5
149.13293	16.8
151.11218	2.8
151.14813	5.7
154.72549	1.6
155.14314	2.8
161.13257	13.3
163.14830	14.9
165.12730	2.0
165.16399	7.4
167.14294	2.1
173.92326	1.6
175.14854	13.2
177.16370	3.2
179.14297	3.2
179.17903	4.6
181.15955	2.7
189.16335	6.1
203.17993	3.4
217.19376	2.4
245.22653	55.1
246.22832	1.5
263.23715	54.9
285.00873	2.1
303.60016	1.5
337.27347	31.0
355.28534	8.2
355.33972	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	356.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.05516	51.9
57.07070	1.8
58.99592	22.6
61.02941	1.3
65.03931	5.1
65.99068	1.1
67.05509	9.9
69.03426	2.1
70.06587	4.3
71.04989	1.6
71.05746	2.6
72.08169	2.1
73.06548	1.5
80.05020	4.0
81.03425	2.4
81.29019	1.2
83.04987	61.1
84.04515	2.4
85.01124	2.5
85.02924	1.8
85.06525	5.2
86.09719	2.5
86.99063	17.4
87.02708	11.8
87.53722	1.5
95.04981	1.5
95.08595	4.2
96.04475	2.2
97.01105	5.2
99.02679	5.0
99.04486	6.9
101.06007	1.7
105.00100	11.9
105.03378	3.7
106.02934	1.4
106.03704	3.2
111.04472	7.3
112.05222	4.3
113.09647	4.6
113.82849	1.2
115.02162	56.2
117.03696	2.6
124.03967	86.1
125.00542	1.6
129.05490	100.0
131.10710	6.5
132.23590	1.3
143.01648	11.3
147.06528	5.0
153.99490	1.2
158.54065	1.2
161.02699	71.9
177.11186	1.7
215.03801	1.8
233.04808	38.9
298.47379	1.3
339.40753	1.3
356.08160	8.9
377.10107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25020	0.9
53.03947	3.4
55.05513	50.5
55.94355	1.0
57.98827	1.0
58.99591	19.8
59.04984	1.0
62.56145	0.8
62.99074	1.2
65.03944	4.8
65.19784	0.9
67.05508	9.3
69.03417	1.3
70.78091	2.1
71.05007	1.9
72.63666	0.9
73.01125	1.0
78.03464	1.6
80.05016	3.4
81.03413	2.0
81.83318	1.0
83.04984	58.0
85.01115	1.9
85.06564	5.5
86.99058	18.9
87.02706	9.5
89.00624	1.1
94.06578	2.7
95.05010	1.3
97.01108	7.2
99.02683	5.2
99.04465	7.8
101.06010	1.8
105.00093	10.8
106.19011	0.9
109.10060	0.9
111.04430	7.6
112.05247	3.1
115.02160	57.8
117.03745	3.5
124.03959	86.8
125.00594	3.0
129.05486	100.0
131.36452	1.2
132.10008	0.9
143.01628	12.5
147.06532	3.3
148.07542	1.5
161.02687	72.4
194.08131	1.5
215.03725	1.7
227.55251	0.9
233.04805	38.0
356.07986	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	356.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
53.66181	1.4
55.01873	5.0
55.05507	6.9
56.96555	2.0
57.03429	6.6
58.99596	2.7
61.02926	6.1
61.60903	1.8
67.05505	2.0
68.99783	2.7
69.03439	36.0
69.80311	6.2
70.06604	7.3
71.04987	5.0
72.08163	2.5
73.02913	4.9
73.04740	2.0
73.06561	15.8
81.03434	20.9
83.01350	2.1
83.04994	5.7
84.04494	4.4
84.08154	5.1
85.02915	100.0
86.09721	1.5
86.99073	2.7
87.00844	48.6
89.03911	2.0
91.03960	1.7
97.02898	29.6
97.06560	1.7
98.97577	3.1
99.04454	10.8
105.01875	79.9
105.03371	5.7
109.02892	27.5
115.02173	5.0
117.01884	1.9
124.03984	13.3
127.03929	64.5
129.01848	2.6
129.05518	10.0
129.48615	1.7
135.04420	1.7
136.04765	1.9
145.04971	24.0
147.02914	2.9
159.02919	7.8
161.02650	9.7
163.03903	14.8
164.04256	18.8
171.02988	1.5
189.03983	3.3
194.04556	2.1
204.63098	1.4
211.50810	1.6
213.03929	2.9
231.05020	20.1
233.04814	5.4
249.06081	7.2
280.05319	1.5
356.07370	2.0
357.15182	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	18.3
55.05478	18.1
55.43259	14.9
56.96553	18.6
60.55023	15.7
61.02921	51.3
67.05501	33.9
69.07076	23.7
69.63908	100.0
70.73840	14.7
79.05485	24.5
80.45933	17.6
81.03415	51.1
81.07082	29.9
83.08634	16.0
85.02918	29.1
91.03956	19.0
91.05473	33.4
92.45049	15.4
93.07060	24.0
95.04976	24.5
95.08617	18.2
97.02899	21.6
97.06541	22.7
98.20716	21.1
119.08514	17.5
121.96459	16.4
131.71838	19.9
137.06041	18.2
169.36833	22.7
182.87976	17.1
193.12294	23.5
248.30083	16.1
251.11328	19.6
269.12338	74.7
295.94849	18.2
356.18973	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.05505	1.3
69.07063	1.6
70.06583	4.4
70.26129	2.2
70.26447	1.2
72.08155	1.2
74.16758	1.1
79.05480	1.5
81.07072	1.7
84.08146	1.9
85.02898	1.6
86.09706	2.8
91.05473	1.8
93.06497	1.1
95.04941	1.9
103.05474	1.1
105.07044	1.2
117.03411	1.1
121.10079	1.1
129.10251	1.2
137.06006	5.7
144.04448	3.3
146.03586	3.1
151.03951	1.6
153.05450	1.4
161.05951	1.3
163.03831	1.4
165.05429	1.3
172.03929	9.1
177.05461	2.6
178.06253	3.6
203.07063	1.7
204.06578	14.7
212.94521	1.1
215.06970	1.5
227.05124	2.2
228.77148	1.1
243.04745	2.5
245.06325	3.9
263.06821	1.4
267.09882	1.2
271.04340	2.0
271.11502	4.2
277.08685	1.2
278.09290	1.3
287.03845	5.1
289.05365	11.4
295.11472	1.2
307.09711	1.8
313.12634	26.8
341.58838	1.0
357.11563	100.0
358.11807	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	357.1337
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
52.99155	1.8
53.03944	2.4
55.01881	19.1
55.05513	2.0
56.96566	3.6
60.80772	1.9
62.64921	1.8
65.03952	4.3
66.21106	1.7
67.05505	7.2
69.03436	5.2
69.07053	3.2
70.06596	5.9
71.54944	2.0
71.55315	3.3
77.97154	2.2
79.05496	6.7
79.74018	1.9
81.03411	3.8
81.07078	9.2
85.02926	2.9
85.06555	3.4
85.68867	2.3
86.04203	1.9
86.09696	2.6
86.51147	2.1
91.05499	12.4
93.03399	3.3
93.07056	2.1
94.04210	5.1
95.04985	2.8
95.08600	2.6
97.02876	2.9
97.06538	4.1
98.97610	3.2
103.05486	6.3
105.07044	5.4
105.91343	2.0
107.04970	5.8
107.08606	3.5
109.02895	2.6
109.06528	5.0
109.10173	3.4
111.04459	7.7
115.05467	6.3
117.03375	2.8
119.04957	6.4
119.08580	2.7
121.02884	4.4
121.06511	4.1
121.10190	4.9
122.03649	16.5
125.06009	5.6
127.03931	3.3
130.04158	2.0
131.04947	6.8
132.05719	1.9
133.06522	4.0
135.04425	4.2
136.07552	2.2
137.05992	100.0
143.04953	6.8
145.06534	2.6
146.03642	7.0
147.04451	5.1
149.05980	6.5
151.03912	6.1
151.07507	2.8
153.05487	4.8
155.04884	5.5
155.10811	2.2
159.04436	2.5
160.05232	4.8
161.06003	21.8
162.06857	3.8
163.07526	3.0
165.05504	25.6
165.06923	4.5
167.07094	2.7
171.04376	4.6
172.05179	4.1
173.05994	2.5
174.95422	2.2
175.07561	11.1
177.05557	13.6
177.06979	3.7
178.07822	4.7
179.08572	5.2
181.06516	2.2
183.04402	2.3
185.05940	5.1
187.07561	6.1
189.05508	3.6
189.06973	9.2
190.07809	11.6
191.07071	3.9
191.08562	12.4
195.08130	3.8
201.06987	2.7
202.07806	3.3
203.07022	10.2
203.08701	3.2
205.06543	8.1
206.07262	4.8
207.08046	10.3
208.08900	4.1
215.07033	8.2
217.06554	4.7
218.07307	19.1
219.08096	27.0
220.08783	2.7
221.05966	5.8
222.06696	3.4
223.07635	4.1
225.09201	2.2
229.06589	5.6
231.08092	2.4
233.09683	3.8
234.06819	8.7
235.07478	16.4
236.08350	7.2
237.09108	6.1
245.05963	4.8
246.06818	16.5
247.07607	28.9
248.08221	5.2
249.09235	12.3
251.07112	4.0
251.10791	5.0
252.07495	2.4
253.08646	4.5
257.06097	5.6
258.07117	2.3
259.07550	3.1
261.09113	25.9
262.06253	4.6
263.07108	13.6
264.07898	13.5
265.08508	4.8
266.09277	2.6
267.10297	4.7
269.08136	3.4
274.06174	13.0
275.07089	12.6
276.07831	4.4
277.08578	17.9
278.09323	6.6
279.07019	3.2
279.10101	18.9
281.07932	2.6
289.08649	30.3
290.09384	6.1
291.06586	4.6
292.07394	5.3
293.08154	2.9
293.11771	2.5
294.08917	5.1
295.09564	5.0
297.11295	4.6
301.07037	5.5
306.08936	6.3
307.09677	74.8
308.10400	3.6
309.07919	3.2
309.11255	16.2
311.12766	3.5
321.11234	47.9
325.10712	6.9
327.12350	25.9
339.12286	31.0
357.13443	16.8
357.18790	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	357.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
57.44873	0.6
64.93655	0.5
67.05480	0.7
71.08950	0.8
71.09272	0.6
72.51463	0.5
78.33497	0.5
81.03437	0.7
81.07037	1.5
91.05499	1.2
93.07030	0.7
94.28208	0.5
94.54568	0.5
95.04963	0.6
95.08645	0.8
105.07037	0.9
107.04964	0.6
111.04442	0.6
119.08592	0.7
122.03711	0.5
125.50404	0.6
127.03938	0.7
137.05992	7.8
143.04921	0.6
151.03908	1.6
205.08450	0.5
226.53523	0.6
327.12289	0.9
357.18848	100.0
358.19287	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	357.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.5
55.01895	5.1
55.05302	5.8
55.05516	60.3
57.03433	10.3
57.07073	40.0
58.13675	4.5
67.05503	60.1
69.07073	71.4
70.06593	6.2
71.04997	10.1
71.08648	23.3
71.53608	4.3
71.55177	7.5
71.55550	5.3
71.96703	5.2
79.05502	44.0
81.07063	70.2
83.08624	57.2
84.56809	4.2
85.10166	6.5
88.07607	13.3
90.28826	4.5
91.05471	8.0
93.07051	52.1
95.05030	5.2
95.08612	61.3
97.06530	24.9
97.10186	29.5
104.49731	5.1
105.07030	11.2
106.08655	6.3
107.08592	39.9
109.10168	36.5
111.08074	13.7
111.11725	6.8
116.04643	4.9
117.90473	5.2
119.08549	6.6
121.10159	57.2
123.11681	16.3
135.11720	49.4
137.13264	5.9
139.11209	6.8
145.10141	9.3
149.13295	23.4
151.14806	7.6
163.14778	6.6
165.16449	6.9
171.04416	6.3
177.16342	7.4
221.15524	7.4
231.52888	5.5
247.24231	38.7
265.00742	6.3
265.25317	43.0
279.86688	4.9
318.53778	5.3
339.28964	30.8
357.35547	100.0
358.36771	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	358.9809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19138	18.8
70.06588	13.1
72.08147	3.7
84.04534	4.4
86.09699	3.7
94.93031	2.5
97.06541	9.3
98.21459	4.8
106.12204	2.1
116.07101	11.1
118.52663	2.2
126.09164	5.0
130.05016	3.6
154.08623	7.4
182.08112	4.7
200.09351	3.5
228.08630	3.6
230.08682	2.5
243.91788	18.2
245.11313	7.0
253.69588	2.4
314.95636	3.9
314.99133	61.0
358.98077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.113
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
50.13218	0.2
53.03941	0.5
53.48113	0.2
55.01875	0.4
57.03442	9.1
65.03946	0.5
67.05515	0.3
68.99790	1.0
69.03455	0.3
69.07094	0.3
69.50742	0.3
69.51142	1.4
71.04984	0.3
79.05502	0.2
81.03423	4.1
83.01354	0.4
83.05003	0.3
85.02911	26.3
86.09689	0.3
90.74116	0.2
97.02892	1.6
99.04460	0.7
105.07047	0.2
107.01330	1.1
107.04972	0.3
109.02886	3.3
111.00838	1.3
115.80039	0.2
121.02878	1.8
123.04436	0.2
125.02351	3.9
127.03902	1.0
135.00760	0.3
136.26759	0.2
139.03911	0.4
147.04451	0.3
148.05243	0.4
149.02354	2.1
150.06743	0.2
151.03868	0.3
151.07535	0.4
153.01851	3.0
163.07567	0.7
165.05563	1.3
165.09116	0.5
167.03413	0.9
171.02914	3.2
175.03798	0.3
177.01836	2.5
191.07021	2.0
195.02905	100.0
196.03256	0.9
213.03918	3.0
221.04507	0.7
242.05765	0.3
271.12686	0.2
299.09152	0.4
315.13873	0.3
317.10190	0.7
341.06509	0.7
341.10300	0.6
359.07120	0.4
359.11835	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	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
54.63726	1.8
55.01858	2.5
55.05513	4.4
56.02751	1.9
57.03435	1.9
65.03953	2.1
68.31625	1.8
69.03432	2.4
69.07070	2.5
69.42231	1.8
69.70296	3.6
69.70693	10.7
70.06597	4.2
72.08163	32.5
79.05496	5.5
81.03408	4.2
81.07032	4.2
85.02899	11.2
86.09721	12.8
87.05572	3.2
91.05489	20.7
93.07044	3.8
94.04182	2.4
95.04934	3.3
103.05483	63.1
105.03365	2.8
105.07057	9.3
107.04950	6.5
107.91104	2.0
109.06517	3.7
115.05463	3.5
119.04953	18.9
119.08532	2.3
120.01089	1.7
121.06511	4.9
122.03654	4.7
123.08099	3.3
125.02319	2.6
128.06210	2.4
129.07004	4.4
131.04942	100.0
131.08505	3.3
133.02867	3.1
133.06503	5.5
135.04428	2.1
135.08037	3.1
137.05992	69.8
141.10240	2.1
146.11775	5.5
146.69804	2.0
147.04453	12.3
147.08014	2.9
149.05991	8.8
151.03938	2.2
151.07533	9.4
153.05511	2.7
157.06377	2.6
157.10060	2.2
159.08035	5.6
160.05182	4.5
161.06003	18.8
162.06808	6.4
163.07574	25.2
164.04805	1.8
167.07050	3.5
172.05177	3.1
175.07565	16.2
177.05528	2.2
179.07043	8.9
179.08476	3.6
181.34799	1.8
186.12360	6.3
187.07567	12.3
190.07790	1.9
191.08533	3.3
193.08615	6.8
195.02930	35.7
205.08612	8.2
209.27423	1.9
214.11919	2.9
218.07336	3.1
219.08041	5.3
231.08151	2.8
247.13498	2.3
248.89278	1.9
251.10623	4.4
255.14087	2.0
279.10266	4.8
280.80780	2.1
291.10175	3.7
296.10403	2.3
299.12820	3.8
309.11334	3.1
311.12762	4.1
329.13788	2.6
359.12003	2.7
359.17117	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	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88794	1.2
53.03955	4.3
54.64338	1.1
55.01875	2.7
55.05515	3.4
56.96568	7.8
57.01585	1.0
57.03439	3.8
60.04522	1.1
61.02925	5.2
61.64857	1.0
64.05202	0.9
65.03946	1.5
67.05502	3.8
69.03433	13.7
69.07069	1.7
69.97194	6.0
70.06600	13.9
71.04993	5.3
72.08159	21.8
73.02926	1.9
79.05495	3.7
81.03426	7.1
81.07066	3.7
84.04510	5.0
84.08160	5.5
84.96053	1.4
85.02912	42.2
86.09708	21.2
87.04490	2.7
91.03984	2.1
91.05463	8.6
93.06549	1.2
93.07032	6.0
95.04971	6.0
95.08620	3.3
97.02905	13.5
97.06541	2.0
98.06015	1.2
98.97605	8.7
99.04480	3.2
102.09599	1.1
105.03403	27.8
105.04475	1.6
105.07022	7.7
107.04954	2.1
107.08605	61.9
108.08925	2.1
109.02887	4.9
109.06534	2.3
109.10172	9.8
111.04447	1.6
111.08082	1.5
116.07091	1.9
116.98646	4.0
117.05468	1.7
119.01642	1.6
119.08604	3.9
120.99588	3.0
121.06522	2.4
121.10151	1.3
123.11750	1.9
127.03921	8.0
128.98674	1.8
129.10266	2.8
130.05013	1.6
130.08704	1.7
131.00121	1.8
131.04982	2.2
132.10243	1.8
133.10152	25.6
134.99634	1.9
135.11720	9.0
137.05983	3.6
137.09621	8.4
143.11823	4.3
145.04976	8.2
146.07286	1.1
151.11197	4.4
158.99654	2.5
161.09615	7.9
163.04005	1.9
163.07497	1.4
165.02196	1.6
167.07048	1.6
167.10733	1.4
171.11337	2.5
177.00673	1.9
177.05469	1.7
179.10674	21.9
182.78348	1.2
189.12350	2.5
193.04999	3.0
197.11749	100.0
209.04831	4.4
213.98941	1.0
215.05951	2.0
219.01784	3.7
228.13501	1.4
237.02710	2.3
246.14650	1.5
317.09146	8.5
359.10019	6.2
359.16702	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	359.1704
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03940	2.4
54.83543	0.7
55.01860	1.0
55.05496	2.2
56.32294	0.7
56.96552	1.6
57.03427	2.6
59.05015	0.9
61.02918	3.3
65.03957	0.8
67.05508	2.4
69.03439	7.0
69.07057	3.3
69.83254	3.2
70.06603	6.2
71.04996	1.7
72.08143	2.3
73.02911	1.8
79.05495	2.6
81.03436	4.3
81.07057	2.8
82.31268	0.7
83.04973	1.4
84.04491	2.8
84.08140	3.3
85.02912	27.4
86.09715	15.2
91.03940	1.0
91.05482	7.1
93.07059	7.7
95.04974	3.5
95.08597	1.4
97.02895	8.0
98.97590	2.6
99.04449	1.3
99.18796	0.7
103.05456	1.7
105.03391	5.7
105.04499	1.0
105.07043	7.9
107.05019	0.9
107.08600	20.3
109.02886	3.3
109.06519	2.0
109.10169	2.6
111.04422	0.9
113.10813	0.7
114.05508	1.0
116.07101	0.9
116.98625	0.9
117.02785	0.7
119.06001	0.7
119.08592	3.4
120.08121	1.2
120.99553	0.7
121.02883	1.3
121.06509	2.7
121.10146	1.2
123.04452	0.8
123.11662	1.1
127.03911	5.7
129.10199	1.7
130.05023	1.7
131.04930	1.6
131.08539	1.2
132.08173	0.7
133.10146	22.2
135.08063	1.1
135.11699	22.3
137.05981	2.8
137.09636	2.5
139.07584	0.9
141.10234	1.4
145.04974	3.7
149.06018	0.9
151.11179	1.5
161.09636	11.5
163.03947	1.0
163.07541	1.2
166.08664	1.0
167.07063	2.5
177.05473	1.0
178.77742	0.7
179.10689	40.2
181.04974	1.4
183.11372	1.7
184.09753	1.4
189.12262	1.0
191.07033	0.8
197.11751	100.0
198.12021	1.1
200.14037	1.6
211.10849	1.1
228.13467	3.0
237.02803	0.9
244.11485	0.8
246.14597	1.4
266.67706	0.8
315.19449	0.9
315.97510	0.7
317.08801	0.9
358.13260	0.7
359.11353	1.3
359.16046	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01868	1.5
55.05519	0.9
56.96560	0.9
57.03425	0.5
61.02915	2.1
67.05489	1.3
69.03439	3.4
69.07070	0.9
70.06580	1.9
70.32366	2.3
71.04983	1.3
73.02924	0.9
78.40250	0.6
79.05047	0.6
79.05479	2.4
81.03415	1.7
81.07057	2.7
84.08149	1.5
85.02906	10.5
86.09705	9.9
91.05477	5.3
93.07047	5.6
93.25675	0.8
95.04955	1.4
95.08616	1.4
97.02875	2.4
98.97618	1.3
102.05411	0.6
103.05463	1.3
105.03412	5.8
105.07030	6.0
107.04987	0.8
107.08598	33.8
109.02892	1.4
109.06557	1.3
109.10161	2.3
115.05464	1.0
119.04955	0.7
119.08596	5.9
121.02904	1.0
121.06483	1.0
121.10158	5.9
121.92461	0.7
123.11742	1.0
127.03902	2.2
129.10240	0.9
131.04926	1.8
131.08597	1.1
133.10139	18.5
135.11729	0.8
137.06003	3.0
137.09610	1.1
139.07561	1.2
143.08606	1.5
143.11775	3.2
145.04971	1.3
147.04414	0.7
149.09633	3.2
151.03891	1.2
151.07564	1.1
151.11179	7.5
161.09634	4.7
163.04045	0.8
165.02324	0.6
167.07065	0.9
167.10675	12.3
171.11435	0.9
175.58821	0.7
177.05368	0.7
179.09106	1.1
179.10666	17.2
189.12370	1.9
197.11736	100.0
198.12050	1.5
200.13962	1.8
201.12387	0.7
209.04814	1.7
228.13385	0.7
241.33333	0.7
359.16611	2.1
360.12613	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	359.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
56.05037	3.7
57.03429	1.5
67.05489	1.3
68.05037	2.6
68.24546	1.4
69.03416	2.3
69.07049	3.7
69.70229	1.1
70.06599	91.3
70.76504	3.9
71.04990	4.4
72.08170	12.2
74.27432	1.2
79.05495	5.0
80.24007	1.1
84.04512	44.7
84.08138	2.1
85.02905	5.5
86.09689	3.8
97.06541	57.8
98.06048	3.9
99.04458	9.3
102.05558	1.8
108.08105	2.1
116.07102	100.0
126.09165	35.0
130.05003	17.3
132.22424	1.2
135.04378	1.3
136.07582	3.2
138.09105	2.6
139.03886	1.6
152.07187	1.5
152.12929	1.2
154.08640	64.8
155.61017	1.4
160.02293	1.4
182.08144	37.5
184.09676	10.0
185.16527	1.2
199.10826	2.5
200.09190	24.8
201.12419	2.4
228.08693	25.1
245.11362	60.0
300.10474	1.2
314.98947	1.8
315.15567	12.3
341.16989	2.0
358.98117	2.8
359.18320	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	359.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87465	2.5
55.05523	14.3
57.03423	8.1
57.07080	100.0
58.06585	2.5
67.05225	2.4
67.05515	28.5
69.07072	21.4
69.32471	2.0
70.06593	6.6
71.08636	81.6
71.55299	3.0
71.55688	2.3
73.12731	2.1
75.04456	3.4
79.05502	3.0
81.07060	38.0
83.08634	22.1
85.06562	2.3
85.10190	45.7
88.07632	4.7
89.07960	2.5
93.07049	4.3
95.08054	3.8
95.08617	58.6
97.10172	26.9
99.11752	2.4
105.03732	16.0
107.08588	2.4
109.10162	31.0
111.11742	11.8
116.05397	2.4
122.06341	6.6
123.11713	17.4
125.13265	2.5
137.13235	7.1
151.14803	4.0
228.92891	2.2
240.18141	2.1
249.25795	2.3
267.26843	13.8
273.85205	2.2
285.27792	7.9
296.29523	27.3
341.30521	68.8
359.11658	5.2
359.37192	42.5
360.29138	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	360.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87606	0.5
55.05505	0.6
56.05032	2.3
56.55179	0.6
56.96552	1.1
67.05484	0.9
69.03427	0.8
69.07070	6.7
70.06589	1.5
71.54826	0.6
72.08187	1.3
74.06087	9.5
79.05517	0.6
81.07077	0.6
84.04522	0.6
84.08148	1.0
85.02890	2.7
86.09711	100.0
86.57892	0.5
91.05479	0.9
93.07052	0.6
97.02876	0.6
98.97597	2.1
99.04468	0.6
104.07127	3.3
105.03411	0.7
105.07076	0.5
116.07133	1.3
117.07044	0.5
118.45340	0.6
126.05536	4.6
127.03927	1.1
144.06580	0.8
145.04955	0.8
145.06703	0.5
146.08266	0.7
163.03943	0.8
173.06000	0.8
186.12445	0.8
195.11343	1.5
196.03281	0.6
199.09933	2.3
200.10815	2.1
201.12497	0.8
211.14398	0.8
212.10751	2.6
214.09929	0.6
217.15457	7.9
239.13934	8.0
242.11873	0.7
253.89691	0.5
257.15253	0.9
287.05624	1.9
316.10254	0.5
316.14517	0.7
360.12762	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	360.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	61.6
56.65763	25.1
56.96558	65.5
62.88894	24.9
67.05493	92.2
69.03439	26.1
69.07078	63.9
69.78692	25.6
70.06604	51.1
71.05014	56.4
71.55011	34.0
79.05493	100.0
81.07072	71.6
83.08635	26.1
85.78753	26.5
86.17763	25.0
91.05489	52.1
93.07064	84.6
95.08599	41.0
97.06515	35.3
97.10126	34.4
105.07047	40.8
107.08620	53.8
109.10136	56.2
116.62280	28.3
121.10139	62.7
145.10097	42.2
153.12775	42.5
173.11749	87.5
192.39063	24.1
275.20059	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91674	1.4
55.05515	7.0
56.05021	2.7
56.96560	2.4
60.61151	1.4
65.96962	1.4
68.05020	5.7
69.03434	2.7
70.06608	13.4
70.88033	3.2
71.04990	3.1
72.08167	40.1
81.07056	2.3
83.06125	1.3
84.04515	56.3
84.08118	3.5
85.02914	3.7
86.09695	2.8
89.72040	1.4
96.04452	2.9
97.06545	13.6
98.06058	2.5
98.97589	1.7
99.04491	8.2
102.05534	1.4
105.03380	2.9
106.79420	1.3
110.09700	9.7
113.16743	1.5
114.05534	23.8
116.07102	7.5
118.07882	2.0
118.08662	23.2
119.01874	1.6
123.04421	1.3
126.09165	9.1
127.07675	1.3
128.51653	1.7
130.05016	26.4
138.09149	14.7
139.03802	1.4
140.10687	3.8
142.04021	2.3
142.05013	24.7
151.60764	1.3
154.08620	14.1
156.10199	5.0
163.03926	2.1
172.22377	1.3
173.06589	2.3
181.75829	1.3
182.08138	21.5
184.09712	78.7
191.07661	1.4
193.08655	1.5
200.09161	4.1
217.08670	2.4
219.01773	1.6
227.04889	1.8
228.08672	15.9
230.10208	6.8
231.05231	1.6
247.12927	17.1
253.15508	2.3
275.11240	7.7
279.59662	1.4
281.14902	1.6
293.10925	2.9
299.16052	75.0
300.16498	1.9
317.12106	58.6
317.16263	2.1
317.17331	3.0
325.17465	2.4
343.18784	6.6
361.11011	100.0
361.14517	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	362.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.5
55.05515	4.2
56.05027	7.9
56.29128	2.2
56.96559	8.1
57.03418	3.7
60.04519	4.2
69.03429	7.1
69.07046	2.1
69.54309	5.6
69.54715	12.2
70.06600	26.0
70.47829	2.5
70.54771	2.5
72.08144	5.9
73.02922	3.5
74.06085	8.1
79.05487	3.5
81.03423	6.2
81.07063	4.5
83.08610	4.6
84.04507	8.1
84.08148	5.7
84.64787	3.2
85.02905	11.0
86.06075	5.7
86.09715	27.3
88.04001	5.2
91.05472	5.8
93.07024	4.0
97.02892	10.9
98.20753	4.5
98.97592	13.5
102.05528	3.9
107.08656	2.7
116.07127	5.8
127.03912	8.8
132.04482	19.3
134.08134	17.4
134.12502	2.6
141.10208	3.6
143.00114	2.8
144.06578	8.8
158.99638	3.9
159.07951	2.8
162.07646	9.4
162.56636	2.6
165.07047	10.5
173.12895	10.7
177.00745	6.1
177.05438	3.5
178.07838	3.3
179.08565	10.1
183.08080	23.0
189.06976	4.9
190.07855	2.7
191.03825	2.7
193.07813	2.9
194.07230	3.0
195.07933	3.2
201.12422	16.8
207.08075	72.7
210.14777	2.5
211.07547	17.4
211.13243	2.7
216.51622	2.7
217.06567	8.1
219.01761	4.0
221.05980	8.6
223.07530	11.3
225.09225	3.8
230.10510	3.3
231.13371	5.2
234.06952	2.4
235.07553	100.0
237.02809	6.3
239.07094	29.4
239.26596	2.5
253.08627	87.1
254.13927	5.3
263.06995	5.1
270.11029	2.9
281.08096	24.5
294.09424	4.2
299.09204	38.4
316.11841	22.1
318.15384	3.3
323.57114	2.3
344.11292	3.6
344.18155	3.2
345.09714	9.2
362.12326	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42634	0.9
53.03948	7.5
53.49894	1.2
55.05507	1.6
57.03424	3.4
57.07071	2.3
61.02929	1.4
69.03437	19.5
70.06588	2.6
70.79018	2.2
70.79350	1.4
71.04995	6.3
81.03427	33.1
85.02913	61.0
91.05478	1.3
96.08114	1.4
97.02885	4.8
98.97564	1.7
99.03842	2.1
99.04468	32.6
103.03952	56.9
109.02893	30.8
123.08122	1.3
127.03931	100.0
139.98685	1.2
145.04948	11.1
152.07065	5.7
160.93137	1.1
187.06012	8.3
194.08157	4.0
253.07111	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	364.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03954	7.2
55.05503	2.0
56.96570	3.9
57.03431	3.3
57.07060	2.5
65.03939	1.2
67.05511	6.5
69.07070	1.2
71.04987	1.0
71.55081	1.4
74.02428	1.2
77.03912	1.5
79.05498	2.8
81.03410	3.3
81.07068	2.2
84.04511	6.5
84.08148	100.0
85.02907	21.8
85.06542	1.8
86.09706	2.2
91.05489	1.7
93.07036	2.5
95.04972	13.6
95.08620	1.7
97.02864	1.8
97.06538	1.6
98.97550	1.5
102.05550	2.7
105.03398	91.8
105.04525	4.3
105.07015	3.1
107.08606	2.5
109.10151	1.5
113.06025	8.6
119.40486	1.0
123.11681	1.1
124.07578	1.1
127.03924	1.5
130.05008	6.7
130.08641	6.5
150.09119	3.7
163.03877	1.6
168.10196	12.1
196.09702	28.7
198.11215	6.6
208.19920	1.1
209.99451	1.0
214.10745	37.5
229.07471	1.1
240.60732	1.1
242.10252	33.4
259.09933	1.2
267.09076	3.2
285.09891	2.8
346.13278	1.4
364.13663	1.9
365.10236	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	364.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01886	1.9
55.05516	24.5
56.96553	2.5
57.07071	2.4
59.14737	1.5
60.08158	5.3
62.67751	1.7
65.03926	3.1
67.05507	61.6
69.06730	1.9
69.07072	26.3
71.04998	2.4
71.14984	3.6
73.02916	2.9
79.05495	40.3
79.57089	1.6
81.03426	2.0
81.07060	52.2
83.08606	6.5
86.09704	1.8
91.05487	16.6
93.06477	2.4
93.07044	36.1
95.04975	2.5
95.08058	2.3
95.08614	30.2
97.06528	2.2
97.10148	3.3
99.04427	2.6
99.08103	1.9
105.07013	12.1
107.08597	25.6
109.06508	2.2
109.10149	12.6
117.06993	3.7
119.08598	5.4
121.10156	14.4
123.08060	2.4
123.11700	3.7
129.37328	1.6
131.08530	2.3
133.10127	4.6
135.11676	6.5
139.86134	1.6
147.11699	3.5
149.13271	4.5
157.19186	1.6
161.47919	1.7
163.14828	1.9
305.24762	84.6
306.25293	2.7
364.32120	100.0
365.10562	2.7
365.24716	2.5
365.32425	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	365.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	58.4
61.02930	0.8
61.82998	0.8
67.05524	0.7
69.03439	1.9
69.69590	2.7
69.69999	1.8
70.06582	3.0
71.95257	1.7
72.08154	1.1
74.55305	0.7
74.97621	0.7
81.03408	1.4
81.07044	1.7
84.08159	1.1
84.96049	8.4
85.02932	4.2
86.09710	1.4
88.66287	0.8
95.04976	0.8
97.02894	1.4
98.21471	1.2
98.97600	50.7
99.08105	1.3
109.28169	0.8
110.97589	19.2
112.99152	4.1
116.98645	17.7
124.99123	2.3
127.03948	1.3
128.98631	17.0
131.00182	2.5
134.99687	4.9
140.98605	1.9
143.00179	7.1
144.98059	1.9
146.99698	8.8
147.04413	1.4
149.01241	0.9
151.00620	1.3
152.98666	1.8
158.99727	4.6
161.01259	9.0
162.99208	1.9
166.13406	1.8
169.01749	1.8
170.99693	4.5
177.00723	5.5
177.02304	2.7
179.00108	1.0
179.02287	1.5
182.99556	1.0
185.04236	6.4
189.00694	3.6
191.00209	4.4
192.03575	1.1
195.01863	1.0
195.03331	7.1
201.00732	3.5
203.00217	2.7
203.05304	14.7
209.01190	3.8
211.02875	1.0
213.04350	7.6
219.01787	18.5
221.01253	10.4
237.02850	31.3
239.02304	37.2
242.03401	1.0
245.01392	1.1
255.03838	1.9
257.03387	13.8
257.55753	0.8
261.04306	1.2
263.02316	3.8
273.04541	0.9
275.02264	2.1
281.03336	2.5
293.03357	1.4
295.04770	0.8
299.02200	1.1
305.03378	3.2
307.05154	0.8
317.03247	3.3
335.04431	1.4
347.04422	1.7
365.05472	100.0
365.10489	24.2
366.05823	2.8
383.06555	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	365.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17351	10.4
70.17767	5.2
82.99818	3.0
86.94891	3.3
93.66361	3.0
94.93015	5.8
101.00876	14.7
110.84542	3.0
112.89607	100.0
114.89349	79.4
116.89149	13.2
119.01913	8.3
125.40367	2.8
126.93038	3.0
127.02422	7.0
131.01921	3.9
133.03491	5.2
142.01138	13.8
145.03497	25.9
155.01944	5.1
157.03473	38.4
160.02162	12.8
161.02942	4.3
169.03484	3.3
173.02980	12.6
175.00290	3.0
175.04536	42.4
185.02933	7.7
186.91733	10.7
187.04530	5.6
202.89160	6.7
203.02376	4.4
203.03929	21.4
204.91460	4.2
212.85089	18.3
214.84940	17.8
228.86633	3.5
229.05623	5.0
242.88493	3.2
245.05086	7.5
249.93726	3.9
259.06705	17.9
268.86279	3.3
277.07672	34.2
278.84769	36.7
291.94815	4.8
305.07275	6.0
323.08279	12.2
328.88474	3.8
347.02454	5.6
364.90314	10.2
365.09567	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	365.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.7
58.21719	0.8
69.03433	1.4
69.15477	0.8
70.06596	7.3
71.16459	1.9
84.08148	1.9
84.96053	1.7
85.02920	1.0
87.86217	0.9
98.96941	1.6
98.97585	27.5
100.99148	2.4
110.97575	6.7
115.00681	1.1
116.98637	6.0
119.00137	1.3
128.98634	5.9
129.10237	1.1
134.99670	1.7
143.00174	2.0
146.99667	1.6
158.99629	9.6
159.03288	1.9
161.01271	1.1
161.04819	2.7
162.99139	1.2
170.99634	1.7
177.00725	6.4
179.05905	2.7
180.89000	0.9
185.04208	21.5
201.00703	1.5
203.05272	49.1
211.46683	0.9
219.01770	12.4
220.93661	0.9
223.04167	0.8
234.98833	1.4
237.02829	15.3
245.07037	1.4
305.09048	22.7
323.10144	26.9
346.11896	1.6
365.10583	100.0
366.10995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12971	0.8
63.17791	0.8
63.62600	0.9
70.08966	1.8
70.09367	1.7
93.33743	0.9
101.00867	2.0
143.01880	1.3
155.01910	1.5
164.25616	1.0
171.05110	0.8
173.03000	3.2
185.02950	2.0
185.04251	29.6
203.05284	60.6
220.74446	1.0
245.05075	5.1
325.89816	0.9
365.10574	100.0
366.10522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41238	0.4
50.83932	0.4
66.67216	0.4
69.65045	2.4
76.82521	0.4
98.51791	0.4
101.00901	0.9
113.00889	0.7
119.01955	1.3
120.55544	0.4
131.01950	0.9
137.01956	0.5
142.63779	0.4
143.01941	1.9
155.01933	1.0
161.03024	0.9
167.01941	0.5
173.03000	2.5
179.74086	0.4
182.50461	0.4
185.02939	1.9
185.04263	25.9
197.03061	1.0
203.05296	53.4
215.04210	0.5
227.04131	0.7
245.05099	4.7
263.06244	1.2
365.10657	100.0
366.10864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	23.7
60.15021	1.0
69.03397	1.1
70.06600	4.2
71.54243	2.4
71.95279	1.1
72.08190	1.2
84.08139	4.5
84.96047	5.7
96.35972	1.3
98.97597	73.0
100.99152	8.2
110.97578	22.9
112.08694	1.1
112.99136	5.3
115.00687	5.1
116.98640	21.7
119.00184	3.0
124.82517	1.1
124.99123	2.9
128.98636	15.6
129.10277	2.1
131.00153	3.4
134.99664	3.2
140.98584	3.2
143.00180	5.2
143.03839	1.3
144.98103	2.4
146.99660	5.9
152.98616	3.2
157.01814	1.2
158.99666	27.0
159.00691	1.0
159.03291	3.8
161.01234	5.6
161.04865	8.1
162.99181	3.4
170.99667	6.4
175.02841	1.3
177.00754	21.8
179.05939	10.4
185.04221	21.8
189.00786	4.2
189.04424	1.7
195.01793	1.3
201.00786	5.1
203.05293	42.9
207.05547	2.2
215.05981	2.1
217.07431	1.7
219.01793	36.5
221.07053	2.7
233.69679	1.2
237.02847	47.0
298.95474	1.2
305.09091	70.3
308.85892	1.1
323.10181	98.6
327.64917	1.2
346.11652	3.7
365.10696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	23.7
60.15021	1.0
69.03397	1.1
70.06600	4.2
71.54243	2.4
71.95279	1.1
72.08190	1.2
84.08139	4.5
84.96047	5.7
96.35972	1.3
98.97597	73.0
100.99152	8.2
110.97578	22.9
112.08694	1.1
112.99136	5.3
115.00687	5.1
116.98640	21.7
119.00184	3.0
124.82517	1.1
124.99123	2.9
128.98636	15.6
129.10277	2.1
131.00153	3.4
134.99664	3.2
140.98584	3.2
143.00180	5.2
143.03839	1.3
144.98103	2.4
146.99660	5.9
152.98616	3.2
157.01814	1.2
158.99666	27.0
159.00691	1.0
159.03291	3.8
161.01234	5.6
161.04865	8.1
162.99181	3.4
170.99667	6.4
175.02841	1.3
177.00754	21.8
179.05939	10.4
185.04221	21.8
189.00786	4.2
189.04424	1.7
195.01793	1.3
201.00786	5.1
203.05293	42.9
207.05547	2.2
215.05981	2.1
217.07431	1.7
219.01793	36.5
221.07053	2.7
233.69679	1.2
237.02847	47.0
298.95474	1.2
305.09091	70.3
308.85892	1.1
323.10181	98.6
327.64917	1.2
346.11652	3.7
365.10696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05555	0.9
55.01863	1.3
55.05503	4.0
56.96574	1.1
57.03428	1.6
57.07071	1.1
60.04484	1.0
63.70211	0.9
64.85879	0.8
67.05511	13.4
69.03424	2.4
69.07064	4.0
70.06599	3.8
71.04990	2.0
71.54401	1.1
72.08166	2.4
74.11361	1.0
78.03459	9.5
79.05516	1.0
80.05013	2.6
81.07041	1.6
82.95640	1.0
84.04519	5.7
84.08147	48.6
85.02908	17.1
85.06548	1.8
86.09713	5.4
87.04463	2.2
91.05487	1.2
93.07073	1.9
94.06550	1.4
95.04981	13.7
96.04504	3.3
97.02911	1.3
98.97585	3.1
102.05540	2.4
105.07001	2.2
106.02924	20.9
107.08575	1.6
108.08147	2.4
112.07618	3.0
113.06006	18.5
116.98598	1.7
119.08598	1.5
120.08102	5.3
121.08428	2.4
121.10157	2.9
122.06165	1.5
122.09668	1.5
124.03958	100.0
124.07585	3.3
130.05008	14.1
130.08662	2.2
131.08554	1.2
138.05501	1.3
147.04561	1.0
148.07521	1.0
150.09152	1.8
164.07182	1.0
166.05064	1.2
167.03351	1.0
168.10225	3.9
171.09262	1.2
175.08725	1.3
176.07079	3.0
177.05659	1.3
178.08652	1.1
182.08089	1.3
182.30750	1.2
185.04254	7.1
189.10323	1.2
190.08693	1.2
196.09694	46.5
198.11258	32.3
199.08708	1.7
200.06955	1.5
203.05269	14.8
203.08130	4.9
213.10103	1.4
214.10760	5.8
217.09746	4.4
218.08351	1.2
219.15082	1.2
220.15369	1.0
224.09180	1.8
227.08139	3.2
236.05611	6.1
241.09669	2.8
242.10248	85.5
245.09224	12.2
250.14351	1.6
259.10754	3.4
263.10226	9.7
273.08740	1.7
287.10425	7.9
304.77271	1.0
305.11334	25.0
323.12305	8.3
333.10907	5.3
347.12421	1.6
365.10315	18.2
365.13531	20.3
365.18555	1.6
365.20370	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	365.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	3.1
51.70733	3.0
53.03940	8.7
55.01871	13.5
55.05506	9.0
57.03439	5.5
57.07076	3.5
60.90237	3.2
67.05501	12.4
68.99782	11.3
69.03439	56.4
69.07070	6.2
70.06601	3.3
70.14346	11.2
71.05000	7.0
79.05502	24.9
81.03432	28.8
81.06644	3.8
81.07064	39.7
83.04976	9.1
84.08153	4.3
85.02915	24.5
87.00830	15.0
91.05483	34.7
93.07055	85.5
95.04978	17.3
95.08636	14.9
97.02897	19.6
97.06530	7.4
99.04441	5.2
103.05474	3.8
105.07042	63.0
107.04937	11.3
107.08607	100.0
109.02860	7.4
109.06533	11.8
109.10143	6.7
111.04444	9.1
115.03897	4.6
115.05442	4.5
116.06150	3.4
117.01865	3.0
117.07043	18.2
119.04943	4.4
119.08592	48.0
121.06496	13.6
121.10148	13.1
123.04432	6.5
123.08076	13.2
125.05979	4.3
127.03923	11.8
128.06183	6.0
129.01846	3.2
129.07031	14.1
131.08589	26.0
133.06485	9.1
133.10146	31.6
135.04416	4.3
135.08054	10.1
135.11703	46.2
137.06009	3.7
141.06955	6.1
142.07799	8.0
143.08536	13.5
145.04860	2.9
145.06512	4.4
145.10147	35.6
147.08067	13.3
147.11693	30.0
149.05984	4.1
149.09645	14.2
149.13338	3.1
151.07526	7.0
153.07097	3.9
154.07823	3.4
155.08534	10.0
156.09332	5.4
157.10124	18.4
159.02896	6.5
159.08055	10.4
159.11659	18.7
161.05959	3.1
161.09651	6.1
161.13252	5.9
163.07509	6.4
163.11217	37.0
165.09175	3.7
165.12767	7.2
167.07076	3.6
167.08649	3.4
169.10132	8.1
171.02879	3.4
171.11662	11.6
173.09671	14.2
173.13300	8.0
175.11192	22.3
177.09157	3.5
177.12743	8.3
179.08693	3.7
179.18825	3.0
183.08081	3.8
183.11726	5.7
185.04221	6.2
185.09590	8.8
187.07477	4.1
187.11197	12.3
187.14870	7.2
189.12796	19.8
191.14227	3.5
193.12321	15.7
197.13301	11.4
199.11105	4.8
201.03848	3.8
201.09123	6.3
201.12750	8.9
203.05267	13.8
203.06918	3.7
205.12206	5.9
207.11789	4.3
215.14339	18.5
217.12198	5.8
219.13788	8.1
225.12848	9.6
231.13791	4.3
233.15341	7.4
243.13846	51.7
261.14886	87.8
279.16000	5.7
347.14972	51.0
347.19165	4.3
365.10498	38.5
365.15942	62.6
365.20087	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
55.01883	13.6
55.05516	37.1
56.96564	11.1
57.03437	19.3
57.07072	3.1
61.02933	3.6
63.31749	2.7
65.03957	3.7
67.05506	61.1
69.03424	14.9
69.07068	44.6
71.05008	3.3
79.05497	49.3
81.03419	16.2
81.07061	49.4
83.04976	11.6
83.08624	11.9
85.02908	6.0
85.06562	3.6
89.10335	2.6
91.05487	40.5
93.07052	37.0
95.04974	24.4
95.08622	23.3
97.02886	18.2
97.06536	22.5
97.10155	14.2
105.07039	35.3
107.04946	18.1
107.08601	34.7
109.06518	10.6
109.10141	27.1
111.04436	3.2
111.08091	4.3
114.78362	2.9
117.07018	13.9
119.05013	3.8
119.08578	25.0
121.06527	5.6
121.10146	11.7
123.08067	9.3
125.09650	14.0
129.07024	7.3
131.00259	3.1
131.08566	19.8
133.06520	5.9
133.10147	26.2
135.08047	12.1
135.11687	6.6
137.09615	4.7
143.08569	6.9
145.10147	13.1
147.04416	11.3
147.08052	6.4
147.11684	7.9
149.09634	9.8
149.13261	5.3
151.11215	14.3
155.08578	5.5
157.10153	9.9
159.11678	6.7
161.09637	5.3
165.09166	3.6
169.10104	4.0
171.11734	6.6
173.13260	3.9
175.11237	5.4
175.62825	3.2
176.71446	2.5
177.09125	3.6
189.11198	6.1
193.12221	3.9
195.11748	4.3
199.21658	3.0
203.05376	5.1
207.08051	4.1
208.08772	4.6
211.11215	5.5
213.12604	3.2
221.09711	6.6
223.11380	5.3
223.13306	30.2
225.09218	4.4
227.12897	3.6
229.21815	3.1
235.07463	6.3
236.08351	10.3
237.09076	3.2
239.10754	9.7
245.18968	4.2
249.09082	10.0
250.09875	11.7
251.10666	58.6
252.11472	4.3
253.08627	7.6
255.17606	3.5
263.20255	4.4
265.12271	10.8
267.10306	20.3
268.11038	43.3
269.11652	11.6
273.18518	20.0
285.10025	3.8
291.19537	100.0
305.19281	2.9
319.16718	3.3
321.14859	9.1
326.68280	3.4
347.16437	4.5
365.10400	16.4
365.17499	9.6
365.23312	57.4
367.74261	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01875	7.6
55.05267	2.2
55.05517	36.0
56.96560	5.9
57.03445	13.8
65.03952	2.1
67.05177	2.3
67.05510	39.3
69.03436	16.8
69.07074	41.4
71.04990	2.8
71.15174	2.8
73.37888	1.3
79.05497	33.9
81.03425	11.6
81.07063	25.6
83.04983	10.9
83.08624	10.3
85.02898	2.5
85.06557	1.8
91.05487	19.6
93.07058	21.8
95.04974	10.3
95.08610	15.4
97.02899	18.6
97.06557	11.5
97.10175	20.4
97.48956	1.7
98.97609	2.4
105.07027	15.1
107.04945	9.0
107.08607	17.3
109.02867	1.8
109.06510	4.6
109.10172	11.9
111.08074	3.3
115.05483	2.3
117.07024	7.4
119.04917	2.4
119.08581	15.6
121.06480	3.2
121.10147	5.0
123.08058	3.1
125.09632	16.4
127.85737	1.3
129.06989	4.1
131.08577	8.0
133.06496	2.5
133.10126	5.4
135.08046	4.5
135.11662	4.2
137.05986	6.6
137.09616	4.1
139.32654	1.3
141.92303	1.3
143.08566	3.9
145.10097	6.9
147.04384	4.0
147.08098	8.1
147.11722	3.4
149.09631	2.8
149.13237	1.9
151.11214	1.9
157.10141	3.2
159.11710	3.2
161.09566	3.0
161.13301	2.0
163.11147	1.7
165.09087	2.9
171.10202	2.1
171.11649	2.2
173.11789	1.6
173.13168	1.8
175.11172	2.6
178.31743	1.5
189.11235	8.5
195.13792	1.9
203.05321	2.8
205.12276	3.2
209.13391	2.0
221.09674	3.7
223.13312	35.8
236.08362	2.0
245.19048	2.7
249.09033	5.4
249.15025	1.7
250.09920	9.4
251.10593	6.7
265.12286	28.8
267.09308	5.2
268.09393	1.9
268.16205	1.4
273.18512	13.3
274.57999	1.3
285.10077	5.4
286.10477	1.9
291.19565	100.0
292.11011	1.8
293.15341	4.5
321.14819	14.0
364.66663	1.5
365.06363	1.9
365.10458	8.3
365.23267	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.6
55.01867	19.2
55.05512	51.6
55.47961	4.5
56.96558	10.9
57.03440	30.4
57.07072	21.9
59.05007	85.8
65.03948	7.4
67.05514	94.9
69.03420	12.8
69.07077	36.9
69.78303	9.2
69.78708	26.0
71.04993	6.2
79.05501	83.4
81.03416	16.9
81.07060	100.0
83.05000	32.0
83.08622	19.7
84.91335	4.4
85.06542	13.8
91.04963	8.9
91.05490	96.0
93.07052	84.3
95.04971	33.1
95.08607	54.1
97.02908	10.2
97.06513	22.5
97.10151	4.9
98.20757	10.2
100.78645	5.5
105.07036	77.9
105.29115	5.0
107.04937	19.2
107.08609	57.2
107.66942	5.3
109.02847	4.9
109.06508	17.4
109.10163	54.2
111.04455	8.3
111.08096	12.6
115.11205	11.3
117.07015	18.5
117.09146	6.5
119.08576	34.0
121.06506	15.3
121.10196	26.9
123.08087	11.9
123.11699	17.1
125.09586	7.3
128.06282	5.5
129.07036	11.5
131.08556	29.3
133.06514	21.7
133.09222	9.7
133.10135	97.8
135.08081	26.4
135.11668	9.3
137.09630	6.6
139.05115	5.8
139.07535	6.8
143.08578	19.7
144.15819	4.5
145.01547	4.9
145.10115	23.8
147.08002	7.3
147.11670	7.4
149.09619	23.6
151.11197	45.5
155.03453	5.7
155.08488	5.3
157.10094	10.2
157.94412	5.0
159.00522	5.4
159.08092	10.7
159.11694	12.9
161.09648	21.9
161.13275	6.4
163.11247	5.4
169.10056	8.7
171.11682	11.7
173.15457	8.2
175.11127	8.4
177.09125	17.7
182.11279	5.3
185.13351	6.6
187.14807	6.8
189.12947	5.1
195.11649	5.5
197.13327	6.1
203.05334	10.9
204.14098	5.5
209.13319	6.5
223.13170	8.8
227.17886	6.1
245.19084	18.4
253.14340	30.2
263.20126	10.2
265.12244	11.0
273.18527	45.8
291.19601	56.0
365.10419	30.2
365.14395	5.9
365.23239	77.7
370.31760	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
54.19176	2.2
55.01893	2.8
55.05511	12.6
55.06500	2.2
57.03427	2.0
57.07066	5.1
59.05007	2.6
65.03935	4.8
67.05507	37.6
69.03422	4.9
69.07082	12.4
70.25430	5.0
70.25814	4.7
71.05000	2.3
79.05496	24.4
81.03407	4.0
81.07065	30.8
81.07535	3.4
83.04990	6.0
83.08606	8.8
85.06542	4.7
90.17041	2.2
91.05489	39.2
91.56564	2.3
93.07060	29.5
95.04975	55.7
95.08607	42.9
97.06547	5.0
98.20799	2.8
100.84143	2.2
105.07035	48.5
107.08611	36.9
109.06538	13.3
109.10150	20.6
115.05495	4.5
117.07017	15.3
119.08589	44.2
120.09350	2.2
121.06499	5.0
121.10143	17.0
123.08037	5.3
123.11690	5.3
125.95269	2.1
128.06210	7.1
129.07025	18.4
130.07785	5.1
131.08588	31.9
133.10143	22.0
135.08076	15.1
135.11690	11.9
141.07010	7.4
142.07768	17.8
143.08577	24.8
144.09364	16.2
145.06483	3.0
145.10130	30.0
147.08063	8.0
147.11696	10.9
149.09636	4.7
155.08571	14.1
156.09373	15.1
157.10133	44.9
158.10934	7.0
159.08070	5.1
159.11696	45.0
161.09612	6.7
161.13255	9.0
165.07011	5.4
166.07799	2.5
167.08566	9.2
168.09334	6.4
169.10155	27.5
170.10968	14.2
171.11700	27.7
172.08890	3.5
172.12543	2.7
173.09654	8.6
173.13254	11.9
175.11176	5.9
179.08536	10.8
180.09373	5.7
181.10143	20.2
182.10954	10.4
183.11696	28.5
184.12413	4.8
185.09674	4.6
185.13272	23.4
187.11232	20.4
187.14851	19.8
189.12776	6.7
191.08510	4.8
191.14314	3.6
192.09296	3.2
193.10191	17.0
194.10905	9.3
195.07921	3.1
195.11684	38.9
196.12402	10.5
197.13245	22.9
198.13982	3.6
199.11160	3.8
199.14816	6.8
201.12799	3.9
201.16429	2.2
203.05327	2.6
203.14310	5.1
205.10149	4.0
205.15953	7.4
206.10928	11.4
207.11673	21.3
208.12523	13.2
209.13275	27.5
210.14096	2.8
211.11101	5.1
211.14859	12.6
212.15579	2.8
213.12866	14.3
215.14241	2.3
216.09407	2.4
217.15973	2.8
218.10921	3.1
219.11662	9.5
220.12448	8.4
221.13295	24.1
222.13948	11.0
223.11203	3.1
223.14816	27.3
225.12819	7.3
225.16415	6.9
227.14265	4.9
229.15907	4.2
231.11681	4.4
233.13324	8.9
234.13997	5.7
235.14795	12.1
236.15623	5.9
237.16336	13.7
238.17239	3.9
239.14314	3.8
239.18019	5.8
241.15898	6.3
244.12733	2.9
247.14883	7.6
248.15703	6.2
249.12729	2.3
249.16389	20.6
251.18034	16.2
252.18704	2.3
253.15866	3.7
255.17473	5.2
256.18250	3.4
258.13983	4.7
259.14767	3.6
261.16455	3.7
263.17944	11.3
264.18729	4.3
265.15836	5.0
265.19589	3.7
267.17526	5.8
269.19052	6.9
273.16382	4.7
274.17145	2.3
276.15225	2.8
277.15845	4.5
279.17349	4.2
281.19049	7.9
282.19833	2.3
289.19495	6.0
291.17484	9.3
299.18011	3.7
301.20078	4.4
305.19229	2.4
307.20392	4.4
309.18344	3.9
314.20322	2.7
329.22665	3.9
337.25305	3.3
345.28177	2.1
347.23703	35.0
365.10349	6.9
365.24756	100.0
366.25220	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01874	4.2
55.05506	15.6
57.02433	2.2
57.07071	5.0
62.89123	2.2
65.03929	2.4
67.05509	28.9
69.03414	6.7
69.07044	9.8
69.30956	18.3
71.04983	4.3
79.05489	16.7
79.65936	2.4
81.03424	3.4
81.07057	21.4
83.04958	3.5
83.08611	6.7
85.06533	5.8
91.05490	30.6
93.07053	28.4
93.69698	1.9
95.04974	41.0
95.08617	30.3
97.06540	5.6
98.20770	3.2
103.20570	1.9
105.07033	50.5
107.08605	23.1
109.06497	10.4
109.10151	16.0
111.08104	2.6
115.05495	3.8
116.06277	2.3
117.07012	14.3
119.06076	2.7
119.08588	49.1
121.06475	5.5
121.10165	14.8
123.08055	6.2
123.11685	2.9
128.06215	8.1
129.07016	14.6
130.07771	6.2
131.08586	27.9
133.10144	18.8
135.08055	14.6
135.11684	6.7
141.06987	9.3
142.07779	17.8
143.08569	39.2
144.09322	8.0
145.10132	33.7
147.08063	8.8
147.11693	5.3
149.09619	2.6
153.07022	2.6
154.07777	3.8
155.08539	14.2
156.09340	17.5
157.10132	54.3
158.10916	4.1
159.08070	7.2
159.11694	26.0
161.09605	6.6
161.13228	9.9
165.06978	6.3
166.07784	2.5
167.08543	9.9
168.09306	4.1
169.10106	18.0
170.10898	10.5
171.11691	21.7
172.08746	3.0
172.12480	4.4
173.09659	8.8
173.13231	11.8
175.11186	6.2
178.07730	2.7
179.08530	10.4
180.09355	6.6
181.10156	21.9
182.10869	5.8
183.11687	23.8
184.12503	4.2
185.13263	49.6
187.11169	14.2
187.14825	12.2
189.12723	4.0
191.14304	3.4
192.09309	4.8
193.10092	18.9
194.10872	11.7
195.11700	24.6
196.12453	9.9
197.13281	21.2
198.10400	2.1
198.14015	2.7
199.14835	6.5
201.12614	2.6
203.14392	4.3
205.10193	4.8
205.15901	5.6
206.10928	7.5
207.11731	21.7
208.12469	9.5
209.13280	20.9
210.14070	3.6
211.11189	3.6
211.14821	10.2
213.12724	10.5
213.16302	2.9
217.10068	2.4
218.10930	2.4
219.11710	6.0
220.12433	7.0
221.13263	19.4
222.14049	7.5
223.14813	17.6
224.15500	3.1
225.12737	8.1
225.16376	4.0
227.14357	3.5
229.15784	2.9
231.11717	3.5
232.12465	3.4
233.13248	9.7
234.14081	4.7
235.14842	8.7
236.15613	5.0
237.16414	11.4
238.17201	2.7
239.14320	3.7
239.17981	6.1
241.15993	5.5
243.11664	4.3
245.13234	4.1
246.13948	4.1
247.14786	10.2
248.15671	4.0
249.16460	13.3
251.17964	11.6
253.15858	3.0
255.17444	4.7
258.13956	3.8
259.14685	4.2
261.16284	4.3
263.14185	2.1
263.17902	9.5
264.18784	3.1
265.15958	4.6
265.19733	5.6
267.17477	7.7
269.19037	6.1
273.16162	4.1
274.17194	2.4
275.17776	2.4
277.15897	4.4
277.19498	4.2
281.19101	6.3
282.19855	3.6
283.20605	2.9
289.19467	6.4
291.17453	7.9
299.17801	2.6
305.18948	3.3
309.18503	2.7
317.19031	3.2
319.24112	3.7
329.22556	6.7
347.23660	32.3
365.10468	6.4
365.24753	100.0
366.25323	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	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.05527	20.1
57.03429	4.5
57.07077	3.6
57.23869	3.2
61.02921	6.4
67.05179	4.2
67.05514	41.1
69.03429	7.2
69.07085	16.6
69.83865	3.1
71.04993	5.5
71.55070	2.7
79.05506	26.3
81.07061	47.8
83.04982	8.6
83.08644	7.0
90.00568	2.9
91.03951	5.0
91.05486	45.2
93.07051	54.9
95.04974	33.4
95.08623	29.0
97.02869	5.5
97.06539	9.6
105.07037	55.2
107.08602	31.7
109.06504	10.4
109.10154	26.2
112.00550	3.6
112.68597	3.2
115.05448	6.7
117.07015	15.2
119.08597	50.7
121.06545	5.4
121.10141	37.1
123.02102	3.2
123.08050	7.7
123.11713	6.0
125.09642	4.2
128.06232	10.6
129.07019	14.5
131.08574	39.8
133.10141	24.8
135.08049	13.8
135.11681	12.1
137.09575	4.5
141.07004	9.6
142.07803	13.7
143.08582	32.5
144.09303	5.4
145.10127	38.5
147.08029	10.4
147.11682	18.1
149.09624	7.3
149.13286	6.2
153.07022	3.7
154.07855	3.0
155.08595	17.8
156.09364	10.4
157.10138	35.7
158.10913	5.2
159.08051	4.4
159.11681	25.2
161.09644	16.0
161.13271	8.6
163.98785	9.7
165.07011	6.9
165.12663	4.0
166.07732	3.8
167.08549	9.2
168.09361	8.2
169.10143	18.2
170.10895	6.5
171.11725	23.4
173.09673	8.9
173.13289	32.9
175.11189	6.4
175.14711	3.8
179.08647	10.5
180.09364	6.3
181.10138	13.9
182.10939	10.4
183.11729	26.8
184.12436	4.1
185.13280	15.1
187.11162	8.3
187.14774	5.1
189.12791	5.9
191.14331	27.5
192.09320	5.8
193.10152	13.9
194.10834	6.2
195.11668	17.5
196.12434	9.1
197.09398	3.9
197.13261	17.3
199.11255	4.8
199.14833	11.2
201.12755	10.1
203.05260	8.0
203.08441	3.9
203.14273	4.5
206.10997	6.0
207.11688	15.9
208.12445	7.7
209.13231	18.2
211.11217	6.5
211.14816	11.2
213.12830	3.4
213.16277	3.8
216.15231	5.0
219.11748	10.3
221.13333	18.0
222.14162	6.9
223.14853	9.0
225.12767	9.2
225.16394	3.8
227.14427	4.5
232.12503	4.9
233.13257	9.4
234.14069	3.1
235.14806	8.9
237.12770	4.2
237.16537	4.5
239.17938	4.3
241.15326	3.5
247.14906	8.7
249.12718	3.5
249.16463	15.3
251.17958	6.4
253.15981	3.7
255.17464	5.0
258.14407	4.2
259.14786	6.2
263.18021	11.1
264.18719	4.7
265.15915	5.2
267.17334	8.1
273.16220	6.0
273.18887	4.5
278.64017	4.3
281.18951	10.3
282.19955	4.0
291.19794	8.6
308.02899	7.5
309.18536	4.4
319.23822	4.1
335.76578	3.4
337.25269	5.9
347.23740	31.1
365.10410	12.1
365.14407	4.8
365.24707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.0
57.03428	0.8
57.07080	3.3
62.37460	0.4
67.05506	4.4
69.03442	1.1
69.07079	2.0
71.54900	0.8
76.41885	0.4
79.05501	2.9
81.07062	4.6
83.04983	0.8
83.08626	1.4
85.06583	1.4
86.70589	0.5
91.05490	4.2
92.25499	0.5
93.07053	3.9
95.04975	4.8
95.08616	4.0
97.06556	1.3
98.98488	0.5
105.07033	4.7
107.08605	4.3
109.06537	3.1
109.10170	2.5
111.08128	0.6
115.05490	0.5
117.07043	1.3
119.08594	5.6
121.06568	0.6
121.10184	1.9
123.08065	4.4
124.08893	1.9
125.09668	0.5
128.06252	0.7
129.07082	1.3
131.08583	2.7
133.10115	2.6
135.08043	2.3
135.11731	0.9
137.09651	1.1
141.07063	0.7
142.07831	1.7
143.08572	3.8
144.09358	0.9
145.10117	3.3
147.08096	1.1
147.11729	0.8
149.09657	0.7
151.07576	5.3
152.08351	7.0
155.08534	1.0
156.09334	2.7
157.10112	5.5
158.10915	0.6
159.08078	0.7
159.11723	2.6
161.09688	1.0
161.13321	1.1
165.07045	0.7
165.09126	10.1
166.09883	0.7
167.08647	0.6
168.09349	0.5
169.10178	2.1
170.10956	1.4
171.11703	2.1
173.09685	1.0
173.13310	1.0
175.11307	0.5
177.12772	0.5
179.08640	0.6
179.10750	1.8
180.09375	0.7
181.10229	1.4
182.10902	0.8
183.11743	2.0
185.09590	0.6
185.13284	5.7
185.14627	0.5
187.11270	1.3
187.14865	1.3
188.99731	0.5
189.12836	0.9
191.14378	0.5
192.09460	0.6
193.10243	1.3
194.11169	0.7
194.13112	4.0
195.11803	2.8
196.12576	0.5
197.13322	1.9
199.14925	0.7
203.05342	0.8
203.14406	0.7
205.10303	0.5
206.10916	0.6
207.11772	1.8
207.13907	1.3
208.12529	1.0
209.13367	2.0
211.14888	1.0
221.13333	1.9
221.15376	0.8
222.14212	0.9
223.14932	1.9
233.13327	0.9
234.14082	0.5
235.16969	0.9
237.16513	1.0
239.14362	0.6
239.18185	0.6
249.16463	1.1
249.18626	1.0
251.17947	1.1
253.15912	0.5
263.17743	0.7
263.20416	2.2
265.19827	0.6
267.17578	0.5
273.16315	0.5
291.19901	0.8
305.18954	0.6
309.18628	0.6
319.26474	1.1
347.26025	19.3
365.10214	2.7
365.27020	100.0
366.27393	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.95938	0.4
51.58458	0.4
55.05524	2.4
57.03429	0.4
57.07083	4.9
65.03928	0.4
67.05513	4.3
69.03434	0.6
69.07086	2.7
70.58109	0.7
70.58456	0.8
79.05508	2.2
79.15484	0.4
81.03446	0.4
81.07071	3.9
83.04993	0.4
83.08614	1.0
85.06548	3.3
91.05480	3.3
93.07049	4.4
95.04983	4.1
95.08615	3.7
97.02885	0.6
105.07035	4.5
107.08604	4.0
109.06527	3.3
109.10162	2.3
111.08142	0.4
116.38350	0.4
117.07053	1.3
119.08597	4.8
121.06541	0.8
121.10160	2.0
123.08084	4.2
123.11664	0.4
124.08872	1.2
125.09663	0.6
128.06274	0.5
129.07011	0.8
131.08600	2.0
133.06560	0.5
133.10153	2.4
135.08084	2.2
135.11699	1.1
137.05946	0.4
137.09653	0.8
139.07553	0.4
141.07022	0.6
142.07820	1.2
143.08566	2.8
145.10133	3.3
147.08102	0.6
147.11627	0.9
149.09677	0.8
151.07555	3.3
151.11243	0.6
152.08345	6.3
155.08595	1.8
156.09317	1.8
157.10124	4.3
158.11028	0.6
159.08089	0.5
159.11731	2.8
160.86391	0.4
161.09668	1.3
161.13324	1.1
165.07013	0.8
165.09117	8.0
165.12794	0.5
166.09926	0.6
167.08562	0.8
168.09341	0.5
169.10147	1.9
170.10941	1.0
171.11627	2.2
173.09665	0.6
173.13304	0.9
175.11275	0.8
177.12900	0.7
179.08618	0.8
179.10698	1.9
180.09424	0.5
181.10167	1.7
181.12239	0.5
183.11674	2.1
184.12459	0.6
185.04272	0.6
185.09785	0.5
185.13303	2.8
187.11261	1.1
187.14832	0.9
189.12746	0.6
191.08418	0.5
192.09349	0.6
193.10199	1.4
194.11061	1.0
194.13084	3.5
195.11769	2.3
195.13522	0.5
196.12440	0.7
197.13258	2.2
199.14769	0.7
203.14394	0.5
205.16029	0.9
206.11028	0.7
207.11743	1.1
207.13887	1.6
209.13268	2.4
211.11165	0.7
211.14903	1.0
213.12856	1.2
219.11728	0.8
221.13371	1.7
221.15437	0.5
222.14117	0.7
223.14975	1.3
225.12814	0.6
227.14366	0.8
231.11839	0.4
233.13361	0.8
234.14209	0.6
235.14886	0.9
235.17015	0.8
237.16476	1.3
241.15843	0.6
245.13319	0.6
247.14932	0.5
249.16475	0.9
249.18730	0.7
251.18010	0.9
263.17871	0.6
263.20206	4.0
265.15991	0.5
265.19464	0.4
269.19135	0.5
289.19620	0.5
291.19839	0.7
305.40295	0.4
309.18484	0.4
319.26563	0.9
337.27673	0.4
347.26022	17.6
348.26013	0.4
365.10464	1.1
365.26999	100.0
366.27524	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	366.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17838	0.3
53.03931	1.2
55.01877	1.6
55.05515	0.7
56.05017	1.1
56.96560	0.9
57.03443	3.2
60.04538	1.7
60.20747	0.3
61.02933	2.8
67.05493	0.7
69.03437	9.6
69.07074	0.7
70.06600	10.3
71.01354	1.2
71.05004	2.7
71.06915	0.4
71.55196	0.4
72.08147	1.2
73.02903	1.4
76.03977	0.7
79.05474	0.9
81.03400	1.5
81.07056	0.7
82.74620	0.3
84.04507	0.6
84.08151	5.8
85.02888	0.8
86.09722	3.2
87.04480	0.6
91.05479	1.4
95.04931	0.5
97.02876	0.6
98.97590	0.8
99.04467	2.7
101.67089	0.3
104.05001	0.4
105.03383	1.3
106.06558	3.1
115.08696	0.6
116.04973	2.7
116.07101	1.2
117.05520	0.8
118.05286	3.3
118.06580	0.6
119.04924	0.6
120.08078	1.2
129.10223	1.7
130.05263	0.4
130.06516	0.4
131.06050	2.1
133.07626	9.5
134.05997	0.7
136.07593	2.4
142.08714	0.5
143.06053	1.9
144.06789	0.7
145.07620	13.7
146.08363	1.0
147.09154	1.3
157.07646	1.7
158.04773	0.8
158.08389	0.6
159.09213	1.0
161.07129	2.6
163.08682	14.9
164.08948	0.4
169.07658	0.4
169.12204	0.4
171.05592	1.2
171.09213	1.4
172.09877	0.5
173.07056	1.0
173.10777	0.8
175.08694	4.7
176.09412	0.7
177.06580	2.8
182.08418	0.3
183.09204	1.3
183.14925	1.2
185.10797	0.8
189.06584	8.0
189.10284	0.6
190.07050	0.4
191.02391	0.4
191.08171	1.0
195.07788	0.6
199.08832	0.5
200.09479	1.7
201.10263	2.3
202.11003	0.6
203.08173	0.6
203.11804	0.8
205.09688	0.8
207.07666	100.0
208.07976	1.4
213.10246	0.9
214.06134	1.3
215.08212	0.5
215.11839	0.9
217.09816	0.5
218.89281	0.4
219.11380	0.3
227.08139	0.5
229.09758	1.2
231.11319	0.9
232.07193	12.3
241.09755	0.6
243.11244	0.4
249.12387	1.2
261.12369	1.4
269.09167	0.4
275.10214	0.4
279.13412	6.3
287.10184	1.6
305.11298	2.6
323.12396	49.7
324.12704	0.9
348.11917	4.6
348.27509	0.5
366.13016	56.8
366.28418	0.7
367.13120	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1697
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
50.85897	0.6
50.86221	0.8
52.68932	0.7
55.01870	1.4
56.05019	0.9
56.96573	4.0
57.07082	1.4
67.05517	0.8
69.03450	0.7
71.06108	3.6
71.53782	1.5
72.04523	1.6
73.02932	1.0
74.00665	9.3
74.02460	1.4
75.78400	0.8
76.02254	4.5
77.00637	4.1
84.08151	1.0
84.96038	1.4
85.02906	1.3
85.06543	1.1
86.06071	19.2
86.09696	1.8
88.04000	4.8
92.01718	0.9
97.88229	0.9
98.06058	3.7
98.97594	14.5
99.05568	1.1
102.03780	20.9
110.07112	0.8
110.96827	1.1
110.97575	9.9
112.07609	0.9
113.06042	1.7
114.03786	1.0
115.08701	6.5
116.98636	6.6
118.03243	17.6
120.01174	65.7
124.07590	0.9
128.05258	1.7
128.98625	8.7
130.03255	9.7
130.04939	1.2
130.08655	2.2
131.00142	0.8
134.99641	2.0
138.65390	0.8
142.08646	4.5
144.04807	2.9
146.99646	3.4
147.05879	40.5
148.04274	13.4
149.07455	1.3
156.04782	3.2
162.02211	0.9
165.06912	4.7
166.05363	3.8
170.99730	1.2
173.07452	9.8
173.12955	0.9
184.09697	2.2
185.04216	2.4
186.04564	2.7
188.65266	0.8
189.00781	1.7
191.04968	1.2
192.01967	6.2
203.05252	3.6
204.05527	5.1
204.08620	1.0
207.08008	1.7
210.03032	2.9
215.72420	0.8
219.08064	6.1
234.03020	3.2
236.10655	100.0
237.10834	0.8
246.02933	4.0
249.02756	0.9
252.03941	1.6
259.11139	1.6
264.04114	1.5
324.06198	3.4
342.07233	2.9
348.15927	27.2
366.07095	3.9
366.10928	15.2
366.15884	1.1
366.17157	0.7
384.08313	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01882	8.1
55.05519	20.0
57.03442	5.8
61.02930	7.1
68.99828	3.0
69.03442	37.1
70.79086	2.7
70.79401	2.8
71.05002	5.3
73.02921	7.9
81.03424	21.5
83.08624	14.8
85.02918	100.0
87.00843	45.5
87.04458	2.0
90.91537	2.2
97.02905	35.3
98.97564	2.8
99.04456	13.2
100.11304	2.1
103.03998	2.0
105.01887	67.6
105.07058	2.4
108.04533	2.8
109.02897	24.6
119.44701	2.2
127.03941	65.6
129.01797	2.4
140.44374	2.3
145.04987	37.2
147.02960	2.6
159.02925	13.1
186.26593	2.2
189.04095	2.4
214.94537	2.0
231.04996	18.2
249.06041	5.6
341.12863	2.1
358.21426	5.0
366.22192	7.7
366.72162	9.3
367.21954	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01876	6.6
55.05500	2.8
57.03432	7.5
61.02920	4.8
65.29233	1.1
68.99799	2.6
69.03080	2.4
69.03432	35.3
69.46658	8.4
71.04989	4.3
73.02917	4.9
81.03420	26.1
81.07073	2.0
83.08633	1.3
85.02906	100.0
85.93242	1.1
87.00832	48.5
87.04488	1.5
91.03967	1.6
91.05544	1.2
93.07086	1.4
93.87016	1.3
96.35174	1.3
97.02896	32.6
98.21535	1.2
98.97644	1.4
99.04449	13.6
101.02390	1.5
105.01868	62.9
108.04473	1.9
109.02875	25.3
109.03591	1.9
111.04488	1.3
111.08155	1.8
115.03883	1.6
117.01859	3.7
123.07945	1.0
127.03922	68.4
129.01830	3.0
145.04959	32.7
147.02901	3.8
159.02896	15.2
177.03949	1.8
189.03960	3.2
191.10767	1.2
209.11783	3.8
211.10211	1.3
213.03928	2.4
231.05000	18.4
237.05302	1.2
248.07721	1.7
249.06134	3.6
258.05219	1.6
263.25702	1.3
295.11731	4.6
301.07132	5.0
302.07443	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	366.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01876	6.5
56.96569	2.2
57.03435	6.1
60.04530	2.9
61.02934	6.8
68.99793	2.1
69.03439	36.6
69.03815	2.4
70.06596	3.6
70.42243	1.2
70.88044	3.3
71.04999	5.1
71.41953	1.5
73.02915	6.2
81.03428	21.7
84.08158	1.9
85.02917	100.0
86.09713	9.2
87.00840	51.7
87.04444	1.3
87.05613	1.7
89.53058	1.4
97.02905	32.7
99.04449	9.1
105.01882	83.2
109.02891	28.8
117.01852	2.2
120.08121	1.8
126.05453	1.6
127.03934	62.3
129.01869	2.1
139.27946	1.7
139.28992	1.4
145.04982	31.8
159.02908	7.8
169.19591	1.4
173.12837	8.2
189.03986	3.4
201.12309	1.8
213.03928	3.6
231.04996	24.2
231.07173	1.5
249.06027	7.6
257.03693	6.1
263.05627	1.4
320.06943	1.8
362.03021	1.6
366.10800	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	366.2024
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
50.14467	0.5
60.04530	18.7
60.83006	0.5
62.28677	0.5
69.03445	0.7
69.49194	3.9
70.02962	1.5
70.06601	0.8
72.04504	1.4
79.20605	0.5
81.75103	0.5
86.09708	74.5
87.05594	15.2
87.20278	0.5
96.41302	0.5
103.05474	2.0
112.11246	1.1
120.08111	26.6
128.10725	10.0
144.23045	0.5
149.05986	0.6
156.10170	0.7
166.08650	14.3
173.12865	100.0
174.13138	1.4
190.09721	1.4
191.08203	1.5
201.12343	21.0
202.12662	0.7
207.11333	0.9
263.14194	0.5
279.17114	1.5
303.16980	0.5
306.14523	0.7
361.01913	0.8
367.15836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01874	3.4
55.05507	4.8
56.05049	1.9
56.79364	1.6
56.96558	5.6
57.03443	4.3
61.02928	3.7
66.33632	1.6
67.05504	6.5
69.03434	14.7
69.07056	6.0
69.33346	1.9
70.06578	6.1
71.04984	6.8
72.08150	6.4
73.02932	2.4
74.06063	1.7
79.05504	4.9
81.03409	3.1
81.07061	18.3
83.04982	6.0
84.04500	5.3
84.08157	2.0
85.02910	8.0
85.06548	2.6
86.09718	44.8
86.34323	1.6
87.18539	1.7
87.44553	1.9
90.05549	2.2
91.05493	6.8
93.07068	16.7
95.04978	6.2
95.08616	3.7
97.02881	5.5
97.06551	1.9
98.06066	1.7
98.97601	9.5
99.04488	4.1
100.97463	1.5
103.47752	1.5
105.03368	2.3
105.07059	5.5
106.06592	2.3
107.08593	13.0
109.02892	3.6
109.06512	3.9
109.10174	4.8
116.04942	2.6
116.98637	4.7
118.05262	3.6
119.04964	2.7
120.08118	16.9
123.11710	7.0
127.03889	1.9
128.37425	1.7
129.10243	3.0
133.07658	10.8
133.10144	8.6
134.99628	2.0
135.06642	1.8
136.07599	11.8
145.04955	2.7
145.06554	2.0
145.07616	4.9
147.04443	2.3
151.11180	5.2
157.07585	2.5
157.13397	17.2
158.99681	4.8
161.07088	3.2
163.08704	18.2
165.05457	2.7
175.08705	5.1
177.00752	3.1
182.08167	5.5
185.04260	3.2
185.12830	3.8
186.04633	2.4
189.06607	4.2
194.16350	1.7
194.57237	3.2
200.04326	1.8
201.10371	2.0
202.10997	1.9
203.05363	2.5
204.05733	2.4
207.07687	100.0
220.11748	3.2
232.07059	8.2
233.16434	4.3
235.14456	3.2
237.02756	1.9
261.16068	1.8
279.13443	7.4
285.10980	2.1
305.11392	4.1
323.12433	62.0
358.87192	1.9
366.13339	49.2
367.13071	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	367.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22648	0.2
59.11933	0.1
71.53680	0.2
82.99868	0.2
98.97579	0.2
101.00890	2.8
116.98869	0.2
119.01941	7.3
122.97826	0.3
132.43062	0.1
134.99896	0.6
137.02965	1.7
139.93320	0.2
140.98857	0.5
158.99915	2.0
175.03055	0.4
177.00977	18.7
178.01064	1.0
180.27095	0.2
182.99945	0.7
193.04097	0.3
195.02161	0.2
201.00990	2.0
216.99031	0.2
217.04117	2.8
219.02039	25.0
220.02161	0.9
221.01837	0.2
225.00858	2.4
234.00719	0.3
234.99998	0.8
236.00093	0.6
236.99829	0.3
240.98859	0.3
241.99026	0.4
242.03712	0.2
243.02007	8.6
244.02315	0.2
258.99982	1.3
260.00180	1.3
261.03094	100.0
262.03241	3.8
263.03217	0.9
266.03690	0.2
275.04678	0.5
277.01062	1.0
278.01218	0.9
279.00861	0.8
283.00073	2.2
284.00104	3.2
284.04739	2.4
284.99796	1.1
285.99786	0.2
286.99786	0.2
301.01093	3.6
302.01193	4.9
303.00873	1.8
326.01248	0.3
327.96964	0.2
343.02118	0.5
344.02283	1.8
345.02209	0.2
362.03320	0.5
363.51401	0.3
364.00940	0.5
367.02042	0.8
373.01608	0.2
384.98669	0.3
385.03256	5.0
386.03159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
55.05516	0.2
56.13274	0.2
58.22228	0.2
65.03934	1.1
67.05493	0.6
79.05490	0.5
81.07056	0.4
83.08631	0.2
90.72093	0.2
91.05492	16.0
93.07092	0.2
95.04956	0.2
95.08624	0.3
96.96601	0.2
105.07043	0.4
107.08603	0.3
111.57106	0.2
119.04956	34.9
120.05301	0.2
129.07045	0.4
145.06474	0.5
147.04424	100.0
148.04771	1.1
155.08574	0.2
157.06549	0.5
157.10257	0.2
171.08267	0.2
183.08095	0.2
221.08095	0.8
237.12721	0.3
255.13844	0.5
273.14938	0.3
339.23184	0.4
349.21643	1.0
367.11810	9.5
367.22568	2.5
368.12448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1536
Annotation	Ponganone III
Peak:m/z	Relative Intensity
55.01860	2.7
56.96571	9.5
58.99580	2.4
70.06601	3.3
70.51840	5.6
75.02721	3.9
78.04576	1.7
84.08136	2.8
85.02908	2.5
86.06069	22.0
87.19032	1.8
91.05475	4.1
95.04985	3.6
98.97590	4.9
102.03751	2.6
103.01517	3.9
103.02174	55.9
105.03383	4.7
105.32342	1.8
113.05967	2.0
115.08643	1.9
120.08109	2.6
120.99554	10.7
127.04044	2.1
142.08644	4.4
147.05865	2.4
149.02690	100.0
152.69644	2.1
159.04315	2.0
162.05794	5.4
163.03954	2.2
166.05307	12.5
178.99988	2.5
180.07857	1.8
191.58328	2.0
197.01149	2.5
204.31357	2.3
208.06378	6.4
219.01920	2.4
220.06340	2.3
237.09052	98.2
281.01614	3.0
349.14297	35.2
355.99597	1.9
367.10678	4.2
367.15524	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	367.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01863	3.3
57.03428	5.8
57.07091	1.9
61.02919	6.4
68.99788	2.3
69.03079	3.0
69.03437	40.6
70.59492	4.6
71.04974	3.5
73.02924	3.0
81.03429	21.5
83.05011	1.5
85.02916	100.0
87.00844	58.3
87.04472	2.3
91.05459	1.4
95.15981	1.5
96.60005	1.2
97.02907	26.5
98.97569	3.4
99.04463	10.8
105.01884	60.6
105.09839	1.3
109.02898	23.7
115.03980	1.5
117.01852	1.4
119.10696	2.4
120.08163	2.7
127.03933	60.7
129.01878	1.7
145.04968	17.1
147.04427	2.1
159.02867	4.6
187.02925	1.3
189.03979	3.2
213.03928	2.9
231.04976	9.2
237.02904	2.7
249.05952	2.2
367.08014	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25679	2.7
53.03953	2.7
55.01867	8.7
55.05516	49.7
56.96555	11.3
57.03440	21.8
57.07063	5.8
65.03934	3.0
67.05179	4.1
67.05512	46.6
69.03424	4.3
69.07066	18.4
71.04993	5.2
71.08636	54.7
79.05498	41.9
81.03418	7.1
81.07054	42.9
83.04982	10.4
83.08631	15.2
85.06539	4.7
91.05480	28.4
93.07054	26.0
95.04980	15.6
95.08628	22.5
97.06553	4.6
97.10159	23.8
98.21594	6.3
99.08098	34.0
105.07037	22.3
107.04966	8.7
107.08614	22.9
109.06522	4.2
109.10132	18.6
111.08086	4.2
117.07007	8.8
119.04913	2.8
119.08585	8.9
121.06523	4.1
121.10118	11.2
123.08054	4.1
125.09645	29.8
129.06949	4.8
131.08560	8.9
133.10150	13.9
134.09645	35.1
135.08012	8.4
135.11719	6.0
139.11111	4.9
144.52795	2.9
145.10091	5.8
147.04384	5.6
147.11656	4.9
149.09601	3.6
149.13222	3.9
151.11179	3.7
157.10129	4.8
159.11711	6.5
161.09595	5.0
163.11227	8.2
165.12825	6.7
177.12773	6.2
189.11234	18.0
201.09094	3.5
218.15372	3.5
227.10712	3.7
275.20053	23.2
293.21149	100.0
294.98007	2.5
295.12720	3.1
331.20856	3.4
349.14542	4.2
349.21460	5.1
351.18399	9.5
367.15744	4.7
367.24600	24.9
368.31244	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01858	3.8
55.05516	14.3
56.96569	1.9
57.03429	5.0
57.07069	2.7
59.05005	1.3
67.05511	26.2
69.03431	2.7
69.07073	15.8
71.08633	4.6
79.05503	21.3
81.03412	3.0
81.07063	30.0
83.04979	5.5
83.08638	6.4
85.06569	3.3
85.61811	1.4
90.97218	1.2
91.05482	29.2
93.07052	27.8
95.04976	6.7
95.08614	19.6
97.06523	5.8
97.10181	3.2
99.08111	2.8
99.28915	1.2
103.05457	2.2
105.07042	28.3
107.04301	1.5
107.04965	6.0
107.08593	17.7
107.13261	1.4
109.06531	9.9
109.10149	11.8
111.08087	2.4
117.07050	9.0
119.08596	16.5
121.06503	11.2
121.10149	12.0
123.08073	5.8
123.11661	1.9
125.09593	1.6
129.06990	3.9
131.08580	19.8
133.06477	4.0
133.10143	16.8
135.08052	6.8
135.11723	6.3
137.09602	2.8
141.07042	1.6
143.08568	5.4
145.06512	2.1
145.10118	14.1
147.04405	3.7
147.08044	5.4
147.11713	12.1
149.09639	8.1
149.13283	3.9
151.11188	5.3
155.08495	2.1
157.10127	3.4
159.08064	2.6
159.11726	10.2
161.09659	3.2
161.13280	3.4
163.11192	5.4
165.12726	1.5
169.10164	2.3
171.11673	2.4
173.09639	2.0
173.13271	5.5
175.11227	4.8
177.12801	3.5
183.11674	3.0
187.11192	3.0
187.14810	1.7
191.07054	1.7
191.14279	2.4
197.13252	3.2
201.12782	3.3
207.13795	3.1
215.14346	1.4
227.10803	2.0
229.19475	2.0
239.17986	4.5
247.20622	4.0
257.19034	11.3
275.20081	100.0
293.21133	10.7
349.23907	27.9
350.24109	1.7
367.11523	1.8
367.15417	2.2
367.25247	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	0.5
53.03893	1.6
55.01806	3.9
55.05447	18.7
55.05744	2.6
56.96504	0.6
57.03371	7.3
57.03679	0.8
57.07027	1.1
59.04950	1.1
60.86000	0.4
65.03886	1.0
67.05435	19.2
67.05824	1.5
69.03363	2.3
69.06996	20.4
69.07404	1.7
69.86976	0.9
69.87391	1.7
70.22369	0.4
71.04943	0.9
71.08559	27.4
71.08992	2.3
71.61104	0.5
79.05496	14.1
79.05905	0.9
81.03425	3.1
81.07063	15.2
83.04984	4.5
83.08622	6.0
85.02854	0.5
89.33730	0.5
91.05487	7.6
92.05742	0.5
93.07050	10.1
95.04983	5.1
95.08613	7.9
97.06463	1.6
97.10171	9.3
99.08099	21.8
99.08723	0.8
105.07043	4.9
107.04967	2.8
107.08598	8.2
107.10159	0.4
108.52635	0.4
109.06509	2.5
109.10161	5.9
111.04367	0.7
111.07988	1.6
111.11643	1.0
117.07030	3.3
119.08591	4.1
121.06501	2.9
121.10151	4.3
123.08009	1.6
123.11662	0.7
125.09634	6.9
129.06931	0.5
131.08578	3.0
133.10141	3.8
135.07962	1.4
135.11693	2.5
137.09576	0.7
139.11107	1.8
143.08514	0.7
145.10031	1.4
147.11626	1.4
149.09534	1.9
149.13281	2.2
151.07481	0.6
151.11102	1.7
153.09109	1.1
157.10094	1.1
159.11626	1.5
161.09599	0.7
161.13210	0.6
163.11139	1.5
164.11894	0.6
165.12704	1.4
167.10699	3.7
171.11661	0.6
173.11781	0.8
173.13112	0.6
177.12808	2.8
179.10582	0.8
183.11613	0.6
188.61494	0.5
189.11256	4.7
195.13734	1.3
207.11758	0.6
219.21155	0.5
221.13600	0.5
227.10651	0.8
227.12703	1.0
229.19492	1.2
237.14764	1.0
247.20546	1.3
257.18909	0.6
265.21622	0.9
275.20102	8.4
293.21124	100.0
294.21481	1.7
367.15332	0.9
367.24875	28.9
368.25272	0.6
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
50.73231	2.4
52.36052	2.3
53.03946	10.4
55.01877	24.2
55.05514	41.2
57.03439	25.4
57.07066	8.9
63.72176	3.3
65.03930	6.5
67.05508	94.9
69.03423	6.7
69.07071	35.8
69.80615	11.0
70.28841	2.5
70.56778	2.3
71.04980	6.9
71.08646	12.6
79.05067	4.0
79.05499	66.7
81.03426	18.1
81.07063	100.0
83.04991	19.0
83.08622	18.9
85.02914	2.5
85.06536	12.7
91.05485	93.5
93.06474	4.0
93.07047	60.8
95.04985	27.5
95.08606	49.2
97.06525	10.8
97.10177	7.9
99.04456	5.4
99.08103	7.5
105.07032	70.4
107.04946	21.1
107.08601	54.9
109.06524	14.2
109.09457	4.5
109.10167	62.0
111.04461	3.4
111.08128	6.3
113.09685	2.6
117.06996	11.8
119.08575	26.0
121.06513	9.6
121.10159	18.3
123.08060	16.7
123.11709	15.0
125.09639	11.3
127.07546	3.7
129.07010	6.1
131.08583	16.2
133.06516	4.0
133.10138	94.3
134.10449	2.6
135.08037	8.7
135.11703	16.5
137.09615	16.8
143.08562	6.6
145.10170	15.8
147.11679	8.4
149.09621	12.6
149.13257	5.6
151.11183	46.7
159.11688	9.1
161.09595	5.9
161.13278	4.7
163.11227	14.0
163.14795	3.0
165.09142	5.3
165.12714	4.1
169.12256	7.0
173.13237	7.7
177.12756	9.1
179.10680	3.3
183.11797	2.7
197.13272	3.0
218.35889	2.6
225.43010	2.5
227.10617	3.3
247.20650	6.8
253.14429	5.6
257.18921	5.8
275.20059	34.8
293.21057	13.1
349.23892	6.0
367.24863	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22583	1.0
50.71721	0.8
53.03939	2.2
55.01873	4.1
55.05519	19.0
56.96561	1.4
57.03445	8.6
57.07082	2.1
57.12288	1.0
59.05006	1.0
65.03951	1.0
67.05511	18.0
69.03444	4.1
69.06713	1.7
69.07073	20.2
69.17139	7.5
69.17548	1.8
71.04995	1.8
71.08638	37.9
73.10139	0.8
77.63424	0.7
79.05502	16.4
81.03438	7.1
81.07063	19.1
81.29657	0.9
83.04984	3.9
83.08624	7.5
85.06552	1.9
91.05489	9.3
93.07055	12.1
95.04974	6.9
95.08620	7.7
97.06551	1.9
97.10180	9.1
99.08102	30.1
105.07046	7.1
107.04987	3.4
107.08602	11.1
109.06522	2.1
109.10169	7.4
111.04488	1.9
111.08105	1.5
112.61758	0.8
117.07011	4.2
119.08580	5.1
121.06519	4.6
121.10130	4.7
123.08054	1.6
125.09644	8.0
129.07043	1.2
131.08623	4.8
133.10136	3.4
135.08101	3.3
135.11740	1.5
139.11159	1.6
145.10153	3.4
147.04428	2.4
147.11728	2.0
149.09666	2.5
149.13281	3.2
153.09073	1.0
153.92448	0.9
157.10144	2.2
159.11754	1.9
163.11290	1.8
165.12828	2.0
167.10707	3.3
170.30948	0.9
171.11777	1.0
173.11707	1.0
177.12791	2.5
189.11215	6.5
193.12302	2.3
195.13824	1.9
197.13434	1.4
227.10631	1.3
247.20763	1.3
275.20038	10.2
275.22720	1.0
293.21133	100.0
294.21634	2.4
367.15878	1.3
367.20987	3.0
367.24948	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01876	6.6
55.05519	13.3
56.96560	3.8
57.03429	4.4
57.07066	2.0
67.05180	1.5
67.05513	24.0
69.03445	2.3
69.06729	1.1
69.07077	13.7
71.04997	2.2
71.55061	1.2
71.55418	1.3
72.53771	1.1
79.05502	22.1
81.03429	2.5
81.07069	27.1
83.04996	6.9
83.08630	4.7
85.06543	2.0
91.05488	26.2
93.06468	1.9
93.07056	27.4
95.04969	6.8
95.08612	20.8
97.06544	5.9
97.10165	3.0
105.07046	28.1
107.04966	9.7
107.08610	17.8
109.06540	10.2
109.10181	7.6
111.08099	1.0
115.05500	1.0
117.07047	7.9
119.04955	3.3
119.08594	17.5
121.06514	9.6
121.10157	9.1
123.08083	6.9
123.11680	1.8
125.09687	1.5
129.07011	5.2
131.07616	1.2
131.08582	20.9
133.06517	5.0
133.10139	17.4
135.08084	5.1
135.11736	6.7
137.09633	3.2
139.49695	1.1
141.07025	1.8
143.08565	4.0
145.06487	2.8
145.10121	13.5
147.04446	11.2
147.08051	3.6
147.11702	12.6
149.09650	6.8
149.13245	4.3
151.11195	5.0
155.08537	2.5
157.10153	4.8
159.08099	3.1
159.11739	7.7
161.09656	3.1
161.13261	2.1
163.11139	5.5
163.14774	1.1
165.12708	1.1
169.06348	1.1
169.10062	2.0
171.11749	2.8
173.09691	1.7
173.13309	5.3
175.11183	2.9
177.12764	2.8
183.11728	3.2
185.13271	1.5
187.11191	2.8
187.14764	2.1
187.31609	1.0
191.14444	2.0
195.11842	1.2
197.13217	2.1
199.06447	1.1
201.12708	3.2
205.15923	1.4
207.13780	3.3
215.14325	1.6
215.17963	1.7
217.07474	1.1
219.13858	3.7
219.17464	1.5
220.35283	1.0
229.19492	2.9
231.08957	1.3
239.17929	3.4
241.07503	2.0
247.20685	5.4
253.07527	2.0
257.19019	14.1
259.08676	2.5
275.20093	100.0
276.20471	1.6
293.21097	8.4
345.44919	1.2
349.17535	6.1
349.23874	32.9
350.24252	1.4
367.17899	6.3
367.25302	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	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01876	9.4
55.05519	20.2
55.55796	1.2
56.96568	5.6
57.03442	7.7
59.05004	2.0
59.26679	1.4
61.02930	1.6
65.03944	3.0
67.05513	32.6
67.62178	1.2
67.75357	1.2
69.03439	5.3
69.07076	16.7
71.05005	3.7
71.55329	1.4
78.58134	1.2
79.05501	24.4
81.03429	5.7
81.07066	31.1
83.04996	12.5
83.08627	10.9
85.02910	2.7
85.06529	3.0
90.22143	1.2
91.05491	41.7
93.07055	27.3
95.04979	15.9
95.08623	15.6
97.06534	12.2
97.10168	6.0
98.97572	1.5
99.04459	2.9
99.08103	2.9
105.07044	22.4
107.04961	7.3
107.08607	19.2
109.06539	5.9
109.10177	11.0
111.04469	5.2
111.08102	4.8
117.07029	6.7
119.04960	34.2
119.08600	18.5
121.06507	5.8
121.10143	15.9
123.08107	3.9
123.11670	1.4
125.09621	6.7
129.07010	2.5
131.08585	13.9
133.06497	1.9
133.10150	12.4
133.40381	1.4
135.08061	4.2
135.11723	5.6
137.09651	3.1
141.06989	1.6
143.08582	2.6
145.06467	2.3
145.10135	9.3
147.04430	100.0
147.08101	2.2
147.11711	8.7
148.04793	1.3
149.09636	13.1
149.13319	1.7
151.11179	4.8
153.09142	1.8
153.12767	1.4
155.08682	1.8
157.10139	3.3
159.08148	1.8
159.11723	5.8
161.13272	3.5
163.03908	3.3
163.11180	9.4
164.04265	1.4
165.07037	1.6
165.12822	1.9
168.09314	1.3
169.10168	2.2
171.11708	2.0
173.09744	2.6
173.13324	4.7
175.11243	3.4
177.12793	1.9
180.09222	1.3
183.11731	1.7
185.13310	1.6
189.11240	4.6
191.07025	2.2
193.12404	1.5
201.09309	1.7
205.12286	2.0
207.13757	1.4
211.14879	1.8
217.07570	1.9
223.13315	5.4
227.10767	1.7
229.19495	2.7
231.08981	1.3
239.18039	2.5
247.20721	2.0
257.18970	9.0
267.09109	1.7
275.20093	65.0
276.20413	1.8
285.10233	3.2
293.21219	9.4
335.09247	2.7
339.15717	2.0
349.23804	13.3
367.11685	13.6
367.15619	4.7
367.25259	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	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.7
55.05519	23.9
57.07063	9.8
65.03934	3.9
67.05166	3.8
67.05508	44.3
69.03428	5.7
69.07069	22.2
69.79257	9.1
69.79658	5.0
71.04986	10.9
79.05499	34.9
81.07064	55.3
83.04988	7.0
83.08616	8.5
85.06547	6.0
91.05485	68.2
92.06248	2.8
93.07053	86.1
95.04965	31.8
95.08614	65.3
97.06528	17.3
103.05488	7.0
105.07032	95.6
107.08604	69.7
109.06542	13.5
109.07228	2.6
109.10156	44.7
111.08079	5.4
115.05449	7.0
116.06260	4.4
117.07038	25.2
119.08590	100.0
121.06537	13.0
121.10147	46.4
123.08077	9.4
123.11705	19.1
128.06230	12.8
129.07025	20.4
130.07790	7.2
131.08574	58.8
133.10146	57.4
134.10536	2.7
135.08054	18.3
135.11710	20.7
137.09642	5.5
139.11166	4.5
141.07008	6.0
142.07793	21.3
143.08569	44.3
144.09360	9.3
145.06558	3.2
145.10139	66.3
146.07259	4.9
147.04419	3.4
147.08061	11.5
147.11684	18.4
149.09625	21.9
149.13338	5.7
153.07022	6.2
155.08575	12.9
156.09375	15.8
157.10144	55.5
158.10924	8.2
159.08047	6.1
159.11711	44.1
161.09647	39.8
161.13281	9.5
163.00919	2.8
163.11232	5.5
167.08566	8.2
168.09283	6.4
169.10158	22.9
170.10931	7.5
171.11699	28.1
172.12498	3.7
173.09631	9.9
173.13272	29.0
175.11220	11.1
175.14847	20.9
179.08612	10.3
180.09334	3.9
181.10191	13.5
182.10930	8.0
183.11716	20.8
184.12556	3.7
185.09634	5.6
185.13295	19.4
187.11288	3.8
187.14842	11.5
189.12704	3.5
193.10150	5.5
194.10968	9.6
195.11713	10.9
196.12384	3.0
197.13272	17.5
198.13997	4.1
199.11281	2.8
199.14847	14.1
201.12741	5.1
201.16367	7.3
207.11768	7.1
209.13301	25.6
210.14052	2.8
211.14822	8.7
213.12784	5.9
213.16403	4.3
215.14349	4.8
217.15904	3.1
218.13651	2.5
221.13272	6.0
223.14828	7.2
225.16429	6.5
227.14334	18.3
227.17961	3.8
237.16359	3.7
239.17993	7.5
241.19424	3.1
251.17918	6.7
253.19458	4.3
255.17480	8.7
265.19513	6.4
269.18872	4.9
293.18768	3.6
349.25247	12.9
367.15359	6.0
367.26141	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84657	5.1
53.03958	8.1
55.05512	35.6
57.03424	6.1
57.07074	15.3
57.08167	4.7
59.04997	17.3
67.05511	52.2
69.03432	7.9
69.07078	34.3
69.60355	36.8
71.05000	8.2
75.13237	5.0
77.81095	5.1
79.05500	47.3
81.07069	62.2
83.04981	7.9
83.08620	11.0
85.06546	35.7
91.05483	82.9
93.07055	91.0
95.04987	30.8
95.08606	66.0
97.06544	10.8
99.08112	8.9
105.07043	95.1
107.08608	58.6
109.00677	6.3
109.06522	19.1
109.10176	53.8
111.08125	8.9
115.05495	8.3
116.53189	6.2
117.07047	22.3
119.08581	100.0
121.06550	11.4
121.10146	54.8
123.11726	23.7
125.09583	5.5
128.06241	19.2
129.07022	21.0
130.07800	15.0
131.08586	62.0
133.10135	60.2
135.08090	17.3
135.11722	18.8
137.09575	7.0
141.07040	10.7
142.07799	19.3
143.08595	47.0
144.09373	15.0
145.10141	65.4
146.07274	9.8
147.08049	11.8
147.11674	21.8
149.09654	20.2
149.13310	6.0
149.98149	5.1
155.08598	13.7
156.09367	13.0
157.10150	60.1
158.10921	9.0
159.08006	6.9
159.11690	40.3
161.09621	44.9
161.13290	10.6
167.08624	8.3
168.09435	7.9
169.10150	20.8
169.26218	4.9
170.10976	9.6
171.11751	31.8
173.09666	10.8
173.13324	29.0
175.11244	7.8
175.14850	15.6
181.10138	13.7
182.11046	5.7
183.11748	19.3
184.12489	8.2
185.13266	15.8
187.14861	18.0
191.07115	10.4
193.10011	6.5
194.10928	8.3
195.11696	18.9
197.13330	21.5
199.14848	13.8
201.12805	6.6
201.16307	8.8
207.06554	9.6
207.11600	6.3
209.13268	28.8
211.14819	6.4
215.14351	9.8
223.14992	9.0
227.10712	16.9
227.14317	13.9
229.08737	5.6
255.11000	6.1
269.18951	5.4
273.04562	6.3
293.21411	6.9
337.20520	5.6
349.25430	10.8
367.15607	25.4
367.26099	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	368.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
53.06999	1.0
55.01882	7.4
56.43048	0.9
57.03439	6.0
57.36699	0.9
59.04995	1.0
61.02929	5.1
68.99783	2.7
69.03432	32.0
69.07040	1.3
70.71912	2.9
71.04977	3.7
72.83313	1.0
73.02922	6.6
81.02985	1.4
81.03424	22.9
81.07048	1.0
83.01311	1.5
85.02910	100.0
86.09697	1.3
87.00836	44.6
91.03968	2.1
97.02901	27.0
97.06550	1.6
99.04458	12.6
101.02359	1.4
103.03933	1.2
105.01875	54.8
105.07009	1.1
108.04475	2.4
109.02894	24.6
117.01881	2.5
119.04909	1.0
127.03924	61.4
129.01834	3.2
145.04964	30.1
145.06133	1.2
147.02867	2.3
147.04347	1.8
148.04704	1.2
159.02890	13.2
171.02940	1.2
172.22862	1.0
189.03925	2.9
213.03915	2.9
213.09901	1.0
222.10571	1.0
231.05019	17.6
235.08136	1.0
249.06097	2.6
306.46994	1.1
346.86197	1.0
368.20270	1.4
368.24396	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85534	1.7
53.03944	3.8
55.01877	3.1
55.05300	2.0
55.05521	26.0
56.05019	1.9
56.96567	5.1
57.03430	8.4
57.18162	1.9
58.06594	5.5
60.04255	2.7
60.04530	31.4
64.20681	1.8
67.05514	24.3
69.03431	6.9
69.07074	17.9
70.06610	4.5
71.05008	10.5
71.55221	1.8
74.02022	1.8
79.05498	22.2
80.05018	3.6
81.03419	4.5
81.07062	22.1
82.07364	1.7
83.04974	2.4
83.08620	12.9
84.08152	8.6
85.06558	4.1
86.09216	2.9
86.09716	41.3
88.07631	4.4
91.05486	22.2
92.05836	5.2
93.05787	1.9
93.07059	19.6
95.04978	9.5
95.08611	10.2
96.08118	3.8
97.06551	12.1
97.10186	20.0
100.07639	3.2
105.07040	11.4
107.04938	2.6
107.08600	8.5
109.06528	9.8
109.10178	5.6
110.06034	3.2
112.07616	31.3
113.05991	4.8
117.07009	6.0
119.04948	23.1
119.08593	6.6
120.05297	9.3
121.10146	6.4
122.09723	10.4
123.08103	5.2
125.09647	13.4
126.09127	2.4
128.10713	43.0
131.08589	5.4
133.10120	2.0
135.08066	7.3
135.11684	5.4
135.28271	1.8
137.09631	3.5
138.12808	4.5
143.08562	4.2
145.10126	4.1
147.04425	55.4
147.08032	3.1
148.04782	35.3
148.11215	2.4
149.09651	2.7
149.13228	2.0
152.19258	2.1
153.09100	2.3
154.08646	7.9
154.12267	7.7
154.13475	1.7
157.10095	3.2
159.11823	2.1
162.89441	2.1
163.11249	2.0
165.12956	2.1
169.10132	2.1
172.09737	14.5
177.12779	3.5
180.13814	12.4
185.13197	2.1
187.11163	3.3
189.11234	12.6
196.13310	2.6
217.15852	2.5
223.13304	4.7
227.10786	2.2
272.19995	2.6
273.18457	8.8
290.21210	14.6
291.19553	13.4
308.22168	13.4
332.22220	2.2
350.23370	23.4
368.12064	9.4
368.24353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.4
56.05886	0.8
56.96561	3.1
57.07068	1.0
61.62109	0.8
67.05504	3.9
69.03429	2.4
69.07081	2.4
71.08632	1.1
71.54922	1.3
71.95274	0.8
72.04524	27.0
77.55643	0.9
79.05498	3.8
81.07063	3.1
83.04966	0.9
83.08596	1.0
85.02907	1.1
91.05495	3.6
93.07039	4.2
95.04961	1.7
95.08607	2.8
97.02902	2.6
97.06551	1.7
97.10182	1.0
105.07036	2.2
107.08620	2.1
109.10203	1.0
111.04448	1.7
114.09182	3.1
119.05585	0.9
119.08608	2.2
120.12281	0.9
121.06489	2.4
121.10168	3.7
123.04443	7.4
123.11744	1.1
128.10759	1.2
131.08586	3.1
133.10136	2.0
136.08702	1.4
140.31107	0.9
145.10120	1.3
147.08087	1.3
149.09627	4.7
161.13385	1.2
164.89020	0.9
167.10687	4.8
184.16972	16.3
202.18045	23.4
207.13750	1.0
232.96529	1.3
253.14398	3.9
280.19110	10.8
285.10217	2.7
294.21497	3.0
307.11816	1.0
368.31412	100.0
369.31949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1813
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
52.56831	1.4
55.01879	2.4
55.05521	9.0
56.96572	3.6
57.03425	5.7
57.07069	5.2
64.18108	1.2
67.05183	2.0
67.05515	24.9
69.03419	1.8
69.07076	7.3
69.68048	3.7
69.68477	4.9
71.04975	2.9
74.94249	1.3
79.05490	12.0
81.07071	16.4
83.04986	2.2
83.08616	4.6
85.06530	4.0
88.22126	1.2
91.05494	11.2
93.07034	12.1
95.04971	6.3
95.08610	13.9
97.06536	6.2
97.10172	3.2
98.20676	1.5
102.96947	1.5
103.05489	3.6
105.07040	9.8
107.04975	2.5
107.08608	11.1
109.06512	3.5
109.10157	8.3
111.08103	1.9
117.07040	3.0
119.04944	1.8
119.08585	7.4
120.08119	100.0
121.06496	3.4
121.10147	6.4
123.08072	2.1
125.09617	2.0
129.07004	2.8
131.04944	2.6
131.08565	8.6
133.10141	5.6
135.08084	2.5
135.11708	3.3
136.78793	1.5
137.05983	1.7
139.11176	1.9
142.07840	1.8
143.08537	3.2
145.10150	7.3
147.04411	1.9
147.08090	1.9
147.11694	3.4
149.09590	2.4
151.07564	1.6
153.06955	1.7
155.08534	2.0
157.10146	3.8
159.08064	2.5
159.11674	3.0
161.09590	2.6
161.13332	2.4
167.07089	2.8
167.08461	1.6
169.10127	1.8
171.11693	4.4
177.05443	2.6
178.07785	2.7
179.08539	2.2
189.12816	1.9
190.95454	2.1
195.06514	3.0
195.11816	2.3
201.12689	2.1
202.07846	1.8
204.13824	12.6
209.13176	1.4
211.14912	2.1
225.16420	1.5
229.07632	1.9
231.08105	2.9
232.13249	2.7
232.96443	3.4
234.06764	2.2
248.08479	1.5
249.09161	1.9
257.04459	1.6
259.20438	2.0
277.08618	1.9
277.21661	2.4
287.07095	2.0
289.08310	1.9
294.08850	1.4
295.17322	1.7
305.08032	6.7
333.21960	2.0
337.10776	15.2
351.23032	2.3
369.09381	2.0
369.13306	5.7
369.24036	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	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03519	1.9
53.03945	5.6
55.01873	4.1
55.05518	23.0
56.96574	4.1
57.03435	5.5
57.07074	2.5
65.03951	12.0
67.05511	96.3
68.46028	2.0
68.99804	3.0
69.03425	8.6
69.07076	22.6
70.70625	5.0
71.04997	5.9
79.05504	46.3
81.03413	7.8
81.07064	100.0
83.04984	30.2
83.08636	17.0
85.02911	5.4
85.06547	6.0
91.05486	28.9
93.03409	7.4
93.07053	69.8
95.04979	40.8
95.08620	25.9
97.06542	48.4
97.10212	2.2
98.97558	1.9
99.08113	4.8
105.04523	3.2
105.07042	16.2
106.02953	5.1
107.05000	2.1
107.08607	35.9
109.06540	4.0
109.10157	5.9
111.04453	25.7
111.08087	7.4
115.05463	1.9
117.07030	12.5
119.08601	5.4
121.02874	5.9
121.06457	2.6
121.10149	17.7
123.11740	5.9
124.03960	13.2
125.04314	5.8
129.05489	5.5
129.06932	2.5
131.08572	16.9
133.10158	18.7
135.08089	3.8
135.11719	17.1
139.03951	11.6
143.08620	2.0
147.11769	2.1
149.13269	53.6
150.55124	1.9
153.05574	2.4
157.05035	3.1
159.11699	33.5
163.03954	5.6
165.12674	2.5
173.02370	4.9
173.05925	2.1
175.04012	1.9
177.12769	25.9
179.14449	1.8
195.13818	56.7
199.07617	5.5
206.11406	2.3
207.06567	3.5
208.05229	3.1
211.07579	2.8
213.14874	17.5
215.07057	5.5
219.08092	2.3
221.06021	2.8
223.07498	2.4
227.06900	2.5
241.08565	2.2
247.07724	5.0
257.04474	2.5
259.09726	7.3
269.08234	4.3
277.08664	2.2
285.11304	4.7
291.10370	2.7
295.09683	2.6
297.11206	2.7
299.09192	2.2
307.09720	5.5
313.10938	2.6
315.08676	6.4
323.09232	3.8
323.12598	2.5
325.10699	3.6
325.14111	2.8
337.10794	4.0
339.12238	4.8
340.09128	3.2
341.14093	2.7
351.12149	6.1
351.18118	12.1
365.92426	2.1
369.09384	3.4
369.13416	17.5
369.19067	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76184	1.6
51.02383	2.0
53.03959	9.7
53.04160	1.7
54.30529	1.4
55.01866	4.6
55.05305	2.0
55.05522	24.0
56.96568	2.4
57.03434	7.1
57.07077	1.7
57.31248	1.5
61.81655	1.6
65.03950	9.0
67.05515	89.2
67.82672	1.6
69.03416	6.8
69.07079	30.1
69.25576	4.0
69.25987	12.5
71.04991	4.4
76.15646	2.0
77.03915	1.9
77.38359	1.7
79.05062	3.1
79.05504	48.6
81.03430	9.1
81.07069	100.0
83.04990	28.2
83.08627	19.9
85.02914	8.5
85.06564	9.6
91.05493	34.3
93.03426	8.1
93.07058	69.0
95.04984	48.4
95.08623	23.9
97.02891	2.9
97.05920	2.1
97.06547	41.3
97.10187	2.1
98.97572	2.5
99.08099	5.3
105.04517	3.4
105.07053	13.3
107.08614	31.2
109.02892	4.0
109.06532	4.2
109.10152	5.5
111.04463	25.3
111.08105	10.7
115.05450	2.5
117.07039	14.7
119.08568	5.3
121.02879	8.0
121.06478	2.0
121.10160	17.6
123.04439	1.6
123.11712	2.6
125.09596	2.0
129.05490	4.7
129.07050	2.6
131.04927	2.1
131.08595	14.6
133.10164	15.8
135.08012	1.8
135.11707	19.0
139.03912	18.2
139.11186	2.6
145.01701	2.0
147.04382	2.5
147.11697	3.3
149.13272	57.1
151.11201	4.5
153.01831	2.3
157.04987	4.2
159.11713	35.7
163.03911	5.2
167.14325	4.4
171.08061	1.9
177.12766	27.6
179.55695	2.0
185.04477	2.8
187.03897	3.8
187.07507	1.6
189.05399	1.8
192.50635	1.7
195.13834	61.3
200.04645	2.7
201.05443	4.0
208.08615	1.9
211.07681	1.9
213.09494	1.8
213.14920	19.8
215.03467	3.6
215.07050	3.3
225.09128	2.4
227.06967	2.5
229.08763	3.2
241.08659	2.7
243.02875	2.6
243.06464	1.7
244.03696	3.5
259.09729	3.8
269.07922	2.0
270.90652	1.7
271.05914	1.9
272.06625	2.8
273.07623	5.1
283.05856	1.9
295.09772	2.2
323.18643	4.2
325.10831	3.5
327.11954	2.3
340.09375	4.9
351.18259	12.7
351.21906	2.9
369.13312	17.7
369.18979	25.5
369.23447	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	369.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.0
55.01867	6.2
55.05516	19.8
56.46096	2.3
56.96564	6.8
57.03432	7.1
65.03947	11.9
67.05512	95.8
69.03448	14.9
69.07069	24.6
69.82128	12.4
70.06597	4.7
71.04987	9.1
73.02905	2.4
79.05499	45.0
81.03417	10.5
81.07066	100.0
83.04988	27.3
83.08633	18.8
84.08132	5.0
85.02909	12.2
85.06538	8.7
86.09716	4.2
91.05490	34.4
93.03395	10.1
93.07059	68.7
95.04979	50.4
95.08620	26.2
97.02914	5.0
97.06538	24.6
98.97591	4.9
99.04467	3.1
99.08108	4.4
105.04498	2.5
105.07056	16.5
107.04961	4.7
107.08592	33.1
109.02882	6.6
109.06508	7.0
109.10152	6.8
111.04465	27.4
111.08076	14.2
115.05436	3.3
116.98605	3.0
117.07049	12.3
119.08588	7.7
121.02898	10.8
121.06478	4.2
121.10165	21.1
123.11705	4.1
127.03976	2.5
129.05507	4.8
129.07027	3.0
131.04913	2.7
131.08554	16.1
133.06517	4.1
133.10149	19.3
135.08115	2.3
135.11719	19.5
137.05984	4.5
139.03896	20.0
139.11185	3.1
141.07048	2.2
143.08609	3.4
147.04451	3.2
147.07990	3.9
147.11682	5.1
148.74260	2.1
149.06021	2.7
149.09587	2.2
149.13280	59.7
151.03917	6.0
151.07529	4.5
151.11308	2.7
157.04974	4.3
157.10243	3.8
159.11700	32.7
161.05969	5.7
161.09653	2.6
163.03903	5.6
163.11244	3.8
167.03436	7.4
167.07080	4.3
167.08484	2.6
167.14320	2.8
174.03030	2.4
175.07516	3.3
177.05530	4.6
177.12770	23.5
179.06969	2.5
185.04424	2.8
189.12715	5.3
191.14157	2.8
195.13831	56.7
199.07605	4.2
203.05214	3.7
207.06551	3.3
207.13820	4.8
209.09656	2.5
213.09155	3.0
213.14848	16.4
215.07123	5.0
231.08211	2.4
233.06104	3.8
234.06723	3.8
235.07428	5.2
237.05417	4.3
237.09160	6.5
245.04384	4.8
248.04362	2.7
253.80136	2.4
259.10046	2.2
265.04959	3.9
265.08603	7.0
293.07755	2.9
297.11066	5.2
307.09781	4.9
308.06760	3.1
309.07706	2.5
309.11063	4.3
311.05588	3.9
323.09097	5.2
325.10547	3.5
337.10812	4.6
351.18085	13.2
369.09219	3.8
369.13602	32.3
369.19147	21.0
369.23685	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	369.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05515	6.3
56.96572	42.5
57.95496	1.0
67.05525	1.2
69.07062	1.1
71.55782	1.4
71.94933	0.8
71.95267	5.9
72.96049	2.4
74.97626	0.8
79.05485	2.1
81.07071	1.2
83.08620	3.3
84.96042	1.6
97.06525	3.5
98.97573	1.6
105.00166	1.9
110.97583	5.9
112.99123	1.2
115.00690	1.1
119.01710	1.4
119.60827	0.7
123.01183	1.5
127.00678	1.3
128.98624	5.6
137.02762	2.5
141.02280	2.2
146.99660	1.6
151.00685	1.3
155.03796	1.9
159.03293	1.2
167.03757	1.3
169.01714	2.0
169.05316	1.2
171.03261	2.3
173.04921	1.4
177.04211	0.9
183.03281	1.2
183.06844	1.0
185.04893	2.7
187.06461	1.2
189.04317	1.3
189.08000	1.4
195.06958	2.9
197.08507	1.4
199.06429	6.6
201.07918	1.5
203.05862	1.5
205.07372	1.1
207.06952	2.1
211.06471	1.6
213.07971	18.8
217.07458	4.8
221.08449	1.2
223.09869	1.9
225.07961	8.0
229.07521	7.3
231.06909	0.8
231.09030	17.6
237.08028	3.6
239.09532	7.9
241.11099	14.5
243.09039	4.8
247.08566	4.1
251.09541	11.0
253.11072	1.8
255.08983	5.5
257.10629	4.2
259.12219	12.0
269.10629	53.8
273.10202	2.2
281.10794	1.3
287.11679	16.5
292.12225	2.4
309.17477	1.0
315.16269	2.6
323.18671	1.2
333.17419	22.9
351.18448	40.1
369.19516	100.0
370.19846	1.4
374.20059	2.8
387.20572	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01873	7.0
55.05513	6.2
56.96568	2.5
57.03450	4.1
65.03952	0.7
65.22488	0.6
67.05511	9.9
69.03438	1.2
69.06775	0.7
69.07082	8.0
70.78329	0.9
70.78662	1.6
79.05500	10.5
81.07067	34.9
82.07407	0.9
83.05001	3.4
83.08617	2.3
85.02894	1.1
85.06551	1.8
88.94562	0.6
91.05486	5.4
93.07049	6.3
95.04971	2.9
95.08605	7.9
95.20201	0.7
97.06549	7.3
97.10217	1.0
102.66871	0.7
103.05486	0.8
105.07027	5.2
107.05010	0.7
107.08611	6.8
109.06531	12.1
109.10171	2.8
111.04459	18.1
111.08100	1.5
113.06020	0.8
117.07043	1.8
119.08598	6.7
121.06533	1.4
121.10166	4.4
123.08110	3.3
123.11742	2.2
125.06010	7.0
128.06233	1.1
129.07028	1.3
131.08607	4.2
133.10156	5.1
135.08057	2.5
135.11719	5.0
137.05992	100.0
137.13287	2.6
138.06367	1.1
142.07794	0.8
143.08574	2.7
145.06435	1.2
145.10110	2.0
147.04454	1.1
147.08043	1.9
147.11719	6.5
149.09634	4.3
149.13283	1.0
151.07570	3.1
151.11195	1.4
151.28571	0.7
152.06160	0.8
155.08685	1.1
157.06676	0.7
157.10144	3.5
159.08138	0.7
159.11696	1.2
161.09644	7.3
161.13329	3.2
163.11215	3.6
163.14821	1.0
165.09117	2.6
167.10733	0.9
169.06555	1.2
171.11731	1.8
175.11189	5.9
175.14761	1.6
177.12885	0.8
179.10707	2.4
187.07616	1.0
189.12817	2.4
190.95512	0.8
193.12315	1.0
195.08127	1.6
199.07614	1.6
201.05548	2.5
203.17952	6.8
213.05455	0.7
213.09140	1.9
213.16414	2.7
215.07079	0.7
221.19089	2.7
223.07494	1.3
223.14827	1.1
225.05478	2.2
225.09044	1.1
231.17491	11.3
232.96494	0.9
239.02231	0.7
241.08607	1.7
241.15958	2.2
243.10190	1.9
245.80457	0.7
249.18561	13.5
253.08510	0.8
255.10202	1.1
267.10236	1.4
272.35440	0.6
277.18018	63.1
278.18445	0.9
295.19049	9.6
309.15152	1.1
327.12534	0.9
337.10773	2.1
351.21689	7.7
369.13388	1.0
369.17303	6.0
369.22491	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	369.2427
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.59748	5.5
53.03941	9.3
55.01862	9.7
55.05499	19.0
56.96560	10.8
57.03441	7.8
57.07065	16.1
59.04988	9.9
67.05508	43.9
68.42882	4.2
69.03418	7.7
69.07053	24.2
69.36481	9.8
69.36877	26.4
71.04991	12.8
79.05512	29.5
79.11048	4.2
81.03400	6.2
81.07066	37.3
83.04985	12.3
83.08609	14.1
85.02897	10.5
85.06548	23.7
91.05479	49.8
93.07046	23.0
95.04973	100.0
95.08620	26.3
97.06548	23.8
97.10149	5.9
105.07027	54.9
107.08603	39.6
109.06515	18.5
109.10135	25.5
111.08074	7.4
113.06006	8.0
115.05463	10.0
117.07023	20.1
119.08591	54.6
121.06480	8.8
121.10152	20.6
123.08078	15.8
123.11719	6.0
125.09602	5.9
128.06223	13.4
129.07010	22.3
130.07733	5.4
131.08563	52.1
133.10124	34.2
135.08032	32.5
137.09624	11.1
141.06967	7.9
142.07719	9.3
143.08591	40.8
145.06516	9.6
145.10138	30.1
147.04424	6.5
147.08078	18.4
147.11690	15.1
149.09608	29.3
149.13176	6.9
151.11176	6.0
153.06996	5.9
155.08527	18.2
156.09306	16.7
157.10143	40.9
157.11244	6.3
159.08054	14.2
159.11720	27.5
161.09610	33.7
161.13208	8.1
167.08601	11.2
168.09364	6.3
169.06534	5.8
169.10118	20.6
170.10985	9.4
171.07979	6.6
171.11667	30.4
173.09587	12.3
173.13213	11.8
175.11168	9.0
175.14835	6.4
177.05574	5.0
177.09081	8.2
179.08539	7.5
180.09340	8.7
181.10129	16.9
183.08104	8.5
183.11700	20.8
185.09561	6.9
185.13231	20.4
187.11127	12.0
187.14774	7.3
189.12764	12.2
193.10208	9.3
195.08073	11.6
195.11717	21.7
197.13286	18.7
199.11188	11.7
199.14731	11.3
201.05481	9.2
201.12717	9.7
203.14333	9.8
207.11687	7.3
207.13524	5.3
208.12498	5.9
209.13248	20.9
211.11169	6.6
211.14804	13.5
213.12787	8.9
213.16348	4.7
215.14404	9.2
220.12456	8.6
221.13313	7.6
221.15327	8.8
223.14816	16.8
225.05498	5.6
225.12782	10.1
225.16495	6.7
227.14394	8.9
229.07370	7.2
232.96570	9.0
233.13300	6.3
233.15442	8.4
235.14839	13.6
237.12718	5.9
239.14189	6.7
241.19670	5.8
249.09142	5.7
250.97545	6.9
251.14301	7.6
251.17863	9.1
253.15883	7.7
265.15775	6.1
267.17542	7.6
269.18958	10.0
275.17966	8.1
281.18967	7.6
293.18933	15.2
309.22211	12.8
311.20020	21.2
327.12543	6.1
333.22232	13.8
337.10681	17.3
351.23245	41.5
369.13156	11.2
369.17117	14.3
369.24136	99.1
370.24609	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	369.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
55.05510	31.3
56.96559	4.7
57.03447	41.2
57.07072	16.6
59.03151	4.7
59.05008	10.4
65.03931	5.7
67.05513	100.0
69.07087	45.4
69.21638	4.7
69.48341	30.3
71.08649	5.6
79.05498	56.4
81.07067	88.3
83.08624	17.8
83.40156	5.5
85.06545	16.7
91.05492	54.4
93.07054	67.0
95.04972	16.3
95.08627	90.1
97.06537	10.0
97.10175	15.0
98.21470	7.0
98.97632	5.8
99.08105	10.9
105.07049	51.2
107.08615	60.8
109.06533	10.5
109.10155	48.1
111.08100	8.2
116.21619	4.9
117.07045	24.7
119.08608	40.3
121.10171	42.1
123.08101	16.4
123.11758	7.6
123.13122	4.9
125.09637	4.8
129.06996	8.9
131.07120	6.2
131.08585	33.1
133.10152	37.5
135.08073	6.6
135.11668	41.9
137.06013	6.1
137.09636	11.7
143.08589	9.5
145.10146	31.7
147.11703	27.0
149.13287	10.3
151.11218	13.5
157.10178	6.6
159.11714	19.3
161.13271	17.4
163.11238	6.8
163.14803	7.6
165.12794	5.1
171.11722	16.3
173.11812	11.1
173.13281	11.9
175.11320	5.6
175.14877	10.6
179.14378	13.6
185.13232	10.0
187.14923	26.8
190.95457	7.5
201.16275	6.2
205.15895	11.3
207.13860	6.7
221.18987	9.3
232.96487	10.7
241.19609	11.0
250.97415	10.6
259.20590	24.3
277.18622	8.4
277.21695	59.1
326.11951	7.0
348.52371	5.2
351.25500	43.7
369.23605	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23214	3.8
53.03947	7.1
55.01871	9.4
55.05513	40.6
55.06236	3.5
56.96563	21.7
57.03447	30.4
67.05508	100.0
69.03427	7.1
69.07069	38.2
71.04991	10.9
71.08636	18.1
71.10317	3.7
71.54907	7.5
73.02899	5.3
79.05497	56.9
81.03413	12.1
81.07061	79.9
82.22272	3.6
83.04985	15.5
83.08616	22.4
85.02911	10.6
85.06561	7.5
90.12325	3.8
91.05489	46.5
93.07045	64.8
95.04966	13.6
95.08614	53.5
97.02903	3.8
97.06568	21.9
97.10185	9.9
99.08091	14.2
105.07044	33.3
107.04916	4.5
107.08601	36.1
109.06541	7.9
109.10164	43.9
109.16770	3.9
111.08135	9.6
113.09671	3.6
116.98650	3.7
117.07004	9.9
119.08601	32.9
121.06537	4.3
121.10146	29.9
123.08099	9.3
123.11703	9.4
125.09634	11.0
129.06992	4.0
131.08568	14.0
133.10121	27.3
135.08076	6.2
135.11638	18.3
137.05983	17.8
137.09546	5.1
139.11115	7.4
143.08536	6.7
145.10139	16.3
147.11708	18.9
149.09554	5.1
149.13280	12.2
151.07520	6.8
151.11205	17.2
157.10146	10.4
159.04868	3.9
159.11676	14.8
161.09550	4.1
161.13269	12.4
163.11096	5.3
165.12668	4.8
167.10646	4.6
171.11700	10.3
173.11739	21.5
173.13127	5.4
175.14857	6.3
177.12665	5.4
179.14317	6.8
185.13220	8.7
187.11125	3.6
187.14857	8.5
189.11194	6.2
189.12749	4.6
190.95543	7.8
193.10150	4.4
195.13826	4.9
217.40230	3.8
229.07390	8.6
229.14330	11.6
232.96446	7.8
241.19585	5.8
247.08656	9.1
250.97591	5.7
255.93924	4.5
259.20544	9.3
269.17517	11.4
277.18356	8.2
277.21616	43.9
293.68158	3.6
347.15149	9.5
351.25674	22.6
365.16113	5.4
369.26608	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	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00333	3.2
53.03944	11.6
55.01873	12.9
55.02143	3.8
55.05273	3.9
55.05519	57.2
56.96570	16.6
57.03447	21.9
57.07073	8.9
59.05005	4.8
65.03951	4.8
67.05513	100.0
69.03442	7.4
69.07074	43.8
70.13036	12.3
71.05024	8.4
71.08631	34.3
79.05499	64.0
81.03432	10.9
81.06586	4.8
81.07063	84.6
83.04999	19.2
83.08640	40.3
85.06547	7.6
85.58275	3.6
88.58843	3.5
91.05492	49.5
93.07051	68.6
95.04989	20.4
95.08621	59.9
97.02903	3.9
97.06522	15.8
97.10172	16.4
99.08097	24.0
105.07043	40.4
107.08593	48.9
109.06526	11.4
109.10154	30.6
111.08081	12.2
117.07037	13.9
119.08592	30.9
121.06544	5.3
121.10149	27.5
123.08071	7.6
123.11720	5.6
125.09669	19.4
129.06996	8.7
131.08643	21.9
133.10161	32.6
135.08014	4.1
135.11699	24.4
137.09608	6.2
139.11191	3.9
139.66261	3.7
143.08553	8.9
145.10133	15.1
147.08070	4.6
147.11707	16.2
149.09673	7.8
149.13277	20.0
151.11241	32.0
157.10121	8.7
159.11702	11.9
161.13315	12.9
163.11186	10.4
165.12787	9.9
171.11760	5.1
172.94429	4.5
173.11771	13.9
175.11295	7.8
175.14832	7.6
177.12825	5.6
179.14374	7.8
185.13280	6.2
189.11252	16.4
189.12796	4.7
190.95436	8.2
195.13863	8.0
208.96558	6.0
227.12767	6.9
232.96443	6.7
241.19495	5.8
245.13824	6.2
259.20547	13.2
269.17517	27.2
277.21704	58.7
293.49023	4.4
295.22781	6.8
351.25528	22.0
369.13458	5.6
369.27014	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	370.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76399	0.8
56.05040	18.1
56.96572	1.7
69.03429	1.9
69.72025	5.4
70.06606	2.0
72.55614	0.9
73.04758	1.0
74.02451	50.6
74.06088	1.8
75.02712	16.7
84.04512	4.7
84.08169	1.1
85.02915	3.0
91.05824	1.1
95.04955	1.1
97.02893	1.4
97.03549	0.8
98.21454	1.8
98.97569	1.3
102.05546	7.2
103.05453	2.3
105.03391	0.9
110.65060	0.8
116.13806	1.0
120.08121	94.3
121.08481	1.5
130.05046	5.4
145.05005	0.9
148.04335	1.0
149.02696	12.5
166.05360	100.0
177.10248	24.7
199.48093	0.9
205.09755	4.8
227.99402	1.0
249.12437	3.2
278.18637	0.9
285.00986	1.7
306.14551	2.9
312.35870	0.8
313.12177	5.1
355.06982	1.3
370.15082	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.2
56.96548	6.9
57.03445	5.5
57.06826	4.2
57.07083	67.5
67.05494	5.3
67.28247	3.5
69.03428	6.6
69.07047	3.3
69.37894	16.8
69.38319	9.4
70.06606	17.3
71.01347	3.9
71.31507	3.8
72.08152	6.0
76.71061	3.1
79.05489	3.6
81.03411	5.3
82.79362	3.2
83.04990	4.7
84.04496	9.4
84.08152	17.7
85.02914	29.4
85.06078	4.3
85.06557	74.6
86.09724	15.8
94.73641	3.5
95.01334	6.7
97.02895	9.6
98.20755	7.4
98.97588	7.9
103.07578	10.5
105.01880	5.2
105.03423	30.1
105.07030	3.8
107.04999	3.8
108.05589	3.5
109.02879	4.1
110.07190	4.1
113.02348	4.8
116.98615	5.4
119.08601	3.5
124.03908	3.8
127.03905	8.3
129.10237	5.6
130.05011	3.9
135.06676	23.5
136.07025	17.3
141.01836	15.6
145.08588	9.4
153.07738	28.1
154.08167	18.7
159.02948	3.8
159.08926	6.9
159.10185	100.0
166.08588	7.6
168.64198	3.4
177.11226	46.1
219.01898	4.3
249.09941	4.2
267.10767	14.8
347.06436	12.5
371.16705	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	370.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01877	2.7
57.03432	2.4
59.32886	1.4
61.31488	1.2
67.05510	4.2
68.98997	1.2
69.03423	2.1
69.45245	10.0
70.06608	3.9
72.08157	13.9
74.02441	6.8
79.05508	7.2
81.03432	4.7
81.07063	2.1
82.63831	1.4
83.04996	3.2
84.04506	2.1
84.08157	30.9
85.02901	3.1
86.09712	3.0
91.05473	19.8
91.05910	1.4
93.07045	13.5
95.04986	5.8
95.08600	1.7
98.21503	1.8
98.97597	1.6
102.09193	20.5
105.07034	7.4
107.04979	6.3
107.08612	6.0
109.02880	7.8
109.06548	2.0
113.06035	2.8
115.05495	2.6
117.07026	42.8
119.08582	6.7
121.06525	8.1
121.10180	1.9
123.04414	7.8
126.09194	2.3
130.08667	32.7
131.04959	2.1
131.08569	19.5
133.06497	3.9
133.10162	5.3
135.08063	31.0
141.06905	1.4
145.06464	6.7
147.04449	3.4
148.09726	4.6
149.09634	12.7
159.08095	20.0
161.09616	7.2
163.07550	15.9
169.06499	1.7
172.09712	5.1
173.13377	1.4
177.09142	25.8
181.04991	1.6
181.08633	3.8
187.07539	13.9
194.05757	1.6
196.09727	1.6
196.51692	1.4
205.08623	100.0
209.08145	4.5
229.14265	1.5
230.14056	1.3
252.12323	1.8
268.07181	1.5
276.16013	2.9
288.16071	6.2
306.17032	13.1
316.15479	5.6
334.16663	7.5
337.05887	1.5
352.17670	7.5
371.16779	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	370.1864
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
53.03933	2.1
54.38354	1.2
55.01863	3.8
55.05515	2.0
56.96560	1.9
57.03441	2.2
65.03966	1.5
67.05508	5.5
69.07095	1.8
70.06574	2.0
70.70921	1.2
70.93760	3.3
72.08159	14.7
74.02461	8.4
79.05511	7.7
81.03411	5.2
81.07059	2.4
83.04977	2.4
84.04546	1.8
84.08153	31.6
85.02898	1.7
86.09704	2.3
91.05490	19.1
93.07065	13.8
95.04958	5.3
98.97601	2.4
102.09191	23.5
105.07041	4.4
107.04951	5.2
107.08579	6.9
109.02889	6.1
109.06483	1.6
112.07589	2.3
113.06031	2.8
115.05474	2.2
117.07027	41.5
119.04957	1.5
119.08608	4.9
121.02898	2.3
121.06509	6.5
121.10123	1.9
123.04440	13.9
127.04018	1.2
128.06229	1.6
130.08653	36.7
131.04962	1.6
131.08585	17.9
133.06438	3.4
133.10120	4.6
135.04399	1.6
135.08067	32.5
137.05998	2.2
143.08627	2.2
145.06516	7.4
147.04404	2.1
148.09727	7.0
149.09599	11.5
150.09128	1.3
159.08061	24.3
161.05989	2.3
161.09633	4.8
163.07541	18.7
169.06419	1.8
172.09702	5.1
177.05556	2.5
177.09122	26.1
181.08690	2.7
185.01341	1.4
187.07578	13.7
188.28471	1.5
192.78394	1.4
195.10178	1.5
205.08617	100.0
209.08134	3.9
221.01224	1.3
229.14479	1.6
232.01154	1.5
250.14395	1.5
251.43501	1.3
260.16473	2.4
266.57501	1.2
269.43802	1.5
272.92108	1.4
288.16031	7.0
302.19714	1.4
306.17126	10.2
316.15445	5.2
334.16684	7.1
352.17520	3.6
371.16678	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	371.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03743	0.6
53.03950	8.0
55.01866	1.7
55.05521	5.9
56.96551	1.8
57.07066	0.5
59.05003	0.9
67.05492	1.0
69.03423	1.7
69.07042	1.3
69.57062	1.4
69.57471	2.0
70.06575	4.2
72.08199	0.6
74.99037	0.6
77.03942	1.8
79.05482	3.5
79.05865	0.6
81.03417	1.8
81.07042	1.8
83.04980	11.9
83.08603	0.9
83.85481	0.6
83.94690	0.5
84.08140	1.4
85.01133	1.5
85.02911	2.4
86.09714	2.6
91.05489	2.5
93.00126	0.8
93.07042	0.9
95.04970	9.7
95.08633	1.1
97.02887	0.8
97.06523	1.1
98.97573	2.4
101.06011	7.1
102.98568	1.3
103.02170	2.8
105.03393	100.0
105.04539	3.9
105.07034	2.4
106.03659	0.7
106.04265	0.6
107.04945	3.8
107.08581	1.7
109.06498	1.0
110.07189	0.8
111.04440	1.1
115.05463	0.9
116.98633	0.9
119.04954	0.7
119.08582	1.1
120.08093	0.7
120.99587	2.4
121.02789	0.7
121.08430	1.0
123.04450	0.9
123.08122	0.7
124.03963	3.2
125.04301	2.1
125.05987	0.6
125.09584	0.8
126.02932	0.6
127.03922	1.0
128.06245	0.8
129.05493	5.7
129.06995	1.9
129.10115	0.7
131.01620	3.2
131.04974	1.3
131.08540	0.9
132.05724	0.5
133.06499	0.8
133.10191	1.3
135.08105	0.7
135.11734	0.7
137.05975	4.9
139.60399	0.7
145.06462	0.9
147.04453	1.9
147.06493	0.7
147.07968	0.6
149.02689	1.8
149.05992	0.8
149.09616	1.1
151.03911	1.2
151.07570	0.9
152.04750	0.5
156.05653	1.7
159.01106	3.2
159.08089	1.6
159.44215	0.6
161.06000	1.8
166.12222	0.5
167.07022	14.6
167.08394	0.9
175.04089	1.4
175.07549	4.0
177.02211	1.7
177.05542	1.7
179.07053	0.8
181.05061	1.1
181.06490	0.7
187.06155	0.6
187.07475	3.4
190.07785	1.0
191.07100	2.3
191.14357	1.8
193.04965	9.9
193.06517	0.9
195.03259	2.4
203.08629	0.7
206.07213	0.8
207.08087	0.9
209.15388	1.9
217.08652	2.6
218.07378	0.8
219.08055	1.2
221.04805	9.0
221.09680	0.7
234.06808	0.9
239.07150	0.6
241.08595	0.6
248.08134	0.8
249.04291	6.9
249.09216	1.6
250.09929	0.6
261.09286	1.4
263.07028	0.9
264.07736	0.7
265.08597	1.2
277.08664	1.2
278.09305	1.0
279.06744	0.8
281.11816	1.4
285.00977	1.3
285.07724	1.7
289.08597	0.9
293.08313	0.8
293.11627	1.0
297.07431	0.6
300.10040	1.3
307.09732	1.8
309.11343	2.3
320.10681	0.6
321.07813	0.7
321.11450	2.2
326.11389	0.7
339.12347	0.7
341.13858	1.5
341.39740	0.8
353.10248	0.6
353.14072	2.0
353.20898	0.7
355.07266	0.7
371.11182	1.7
371.16785	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.7
55.99532	0.5
61.51207	0.5
69.22680	5.4
70.06580	1.5
71.04971	0.5
79.05505	0.6
81.07037	1.1
84.08121	0.6
85.02884	0.7
85.06568	0.5
91.05460	0.6
97.02910	0.6
97.06528	0.7
98.97567	0.6
101.00903	0.6
105.07046	1.4
107.08595	1.0
109.10212	0.7
119.01910	1.5
119.90057	0.5
121.10069	0.9
123.42473	0.6
125.04079	0.5
129.26581	0.5
131.04913	0.6
131.08606	0.9
133.10126	5.4
137.05957	1.6
143.01939	0.7
149.05963	0.7
161.02933	1.2
161.06078	0.5
163.03873	0.7
167.07039	3.2
173.02933	0.7
173.13243	2.7
175.07594	0.9
177.05603	0.6
187.07562	0.7
191.14323	1.4
213.38800	0.6
215.46597	0.6
217.08719	0.7
221.05130	1.3
237.09390	0.6
267.12186	0.7
271.04181	1.3
285.13254	3.2
293.11725	0.7
303.12808	1.0
309.13278	0.9
326.86572	0.7
327.14154	27.2
371.13129	100.0
372.13434	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	371.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92659	0.7
53.03931	1.3
53.07393	0.8
53.90831	0.7
55.05516	2.1
55.06150	0.9
56.96556	1.0
57.03434	1.6
60.72232	0.8
64.49039	1.0
67.05508	1.3
69.03416	2.5
69.07051	1.3
69.44809	2.0
69.45213	5.4
70.06583	2.6
71.04978	1.0
72.08129	1.0
73.04752	1.1
79.05489	2.3
81.03368	1.2
81.07054	3.0
83.04982	1.0
84.08137	1.9
85.02914	2.3
86.09702	1.6
89.03914	1.1
91.05480	3.8
93.07063	2.4
95.04970	1.6
95.08586	1.0
97.02892	1.5
97.06538	0.9
98.20772	1.7
98.97566	2.2
101.00821	1.2
103.05461	1.8
105.07021	2.6
107.04938	2.6
107.08589	2.9
109.06506	1.3
109.10098	1.0
111.08042	1.1
117.06973	1.4
119.01923	1.9
119.04951	2.7
119.08535	1.3
120.05204	1.2
121.06482	1.7
121.10120	2.1
127.03914	1.7
129.06982	1.2
131.04945	1.4
135.04427	8.1
136.04745	5.8
137.05986	7.5
147.04396	1.7
149.06003	1.8
149.09650	1.1
150.06725	1.1
151.03894	1.9
156.05635	1.4
159.07996	1.6
161.06035	1.8
163.03938	1.0
165.09091	1.3
167.07042	6.2
173.13269	1.5
175.07565	1.2
177.05469	1.5
181.04996	2.1
183.04388	1.2
187.00861	1.1
187.07495	5.3
191.07002	1.7
191.14352	2.6
199.05734	3.5
208.13297	8.7
209.13664	16.6
209.15471	2.1
217.08580	4.2
223.08784	1.1
233.05908	1.4
234.06732	1.4
235.07535	1.6
237.02795	1.7
247.07486	1.5
247.09837	1.0
248.08217	1.0
249.09019	2.1
251.08188	1.4
261.09082	2.1
264.07516	1.2
265.08615	2.9
277.08801	1.7
278.09314	1.3
279.10275	1.7
281.11859	1.2
285.13040	1.5
290.15668	1.7
293.08221	2.4
293.11307	1.3
300.09995	3.0
303.12811	1.1
309.11270	1.4
313.10852	1.0
321.11304	1.4
325.07767	1.5
325.11121	2.2
327.14218	16.0
339.12216	6.2
341.13864	1.1
353.10355	1.8
353.13983	3.0
371.13065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58188	2.3
53.03937	3.6
54.00080	2.1
55.01860	3.4
56.96553	3.2
57.03439	5.5
61.02917	5.2
69.03434	18.2
69.99081	7.5
69.99482	4.2
70.02950	3.0
70.06584	6.9
73.02909	3.4
73.04741	5.3
74.02443	14.3
78.98264	2.5
81.03411	5.9
84.04512	3.1
85.02425	3.7
85.02911	49.7
87.04426	2.2
91.05846	4.5
92.04974	2.4
94.06575	84.7
97.02895	14.9
98.20773	2.2
98.97578	6.4
99.00840	10.8
99.04463	2.3
101.00890	2.5
104.05015	4.9
109.02885	5.3
116.07076	2.7
118.06556	30.8
120.04482	37.8
127.03910	14.7
128.07024	2.3
130.06540	3.5
132.04433	7.7
132.08104	5.7
136.07593	48.5
137.05977	7.8
143.01926	3.8
143.94148	2.3
145.04984	5.2
146.06023	62.4
146.07941	3.1
150.05528	19.1
156.04445	2.4
158.06026	4.4
160.07544	7.3
163.08664	8.5
164.07048	5.1
170.05939	10.2
174.04384	2.1
174.05571	25.9
174.20222	2.1
178.51183	2.3
179.41399	2.1
182.43687	2.1
188.07014	4.7
192.06563	100.0
196.07556	5.1
198.05473	2.7
208.07649	2.3
209.09224	78.1
214.08575	2.6
226.08644	2.6
234.07550	5.7
236.07190	4.4
244.09756	2.8
262.10764	4.7
268.97794	4.3
270.07626	12.3
271.19489	2.0
279.00085	2.9
279.04028	2.8
285.00858	7.0
300.08762	3.8
312.74182	2.4
318.09714	11.7
335.12314	3.1
336.10648	8.2
353.13751	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	371.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.2
55.01865	3.0
55.05498	5.1
56.96579	14.8
58.87340	2.9
64.23897	2.6
65.03922	3.9
66.95124	2.4
67.05508	5.0
69.03439	7.2
69.98977	14.8
70.06584	10.0
71.08640	3.2
72.08156	3.5
73.04772	4.0
79.05489	10.9
81.03412	5.2
81.07067	3.2
83.04964	4.1
84.08137	5.9
84.96018	4.0
85.02909	7.1
86.09651	3.7
91.05433	6.1
92.60141	2.9
93.07058	5.8
95.04962	12.1
95.08616	6.0
98.97594	100.0
101.61951	2.9
103.05442	5.4
105.03395	6.9
105.07027	4.5
107.04961	17.9
109.06516	3.2
116.98630	33.0
121.02872	8.7
121.06546	4.0
122.03648	3.3
123.04436	3.7
127.03841	3.9
131.04967	4.9
133.06485	5.9
133.10172	3.4
134.99652	11.4
137.05992	11.1
137.07115	21.2
145.06506	5.6
147.04420	8.9
151.03906	4.8
151.08661	3.7
158.99677	12.6
161.05986	3.1
163.03877	5.8
163.07515	4.2
165.05522	3.9
167.07039	17.4
175.07494	4.5
177.00699	11.7
178.11905	3.3
179.06854	3.6
179.08174	34.0
181.04973	20.9
187.07555	3.2
191.07071	3.3
191.14226	3.2
194.07190	3.2
197.09430	3.6
202.90173	3.1
209.15395	8.9
217.08679	3.6
219.01675	4.5
219.08090	4.1
237.02832	8.7
250.06181	4.2
251.09724	21.1
253.08708	3.6
265.08499	3.8
266.89389	3.0
269.10648	17.7
277.16580	2.7
277.57718	2.7
279.06467	3.5
293.08374	4.2
301.91547	3.5
309.11081	4.0
325.10852	5.3
326.11063	3.3
335.09799	3.7
339.12274	9.8
341.10117	5.6
341.13956	2.9
353.13879	5.7
371.17160	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	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
53.65801	1.5
55.01874	2.2
55.05510	4.1
56.96552	2.0
57.03427	2.6
59.61448	1.4
65.03955	1.9
67.05507	5.6
67.54858	1.5
69.03429	1.9
69.07072	3.9
70.06596	2.9
70.24753	1.3
71.04987	1.6
71.54958	1.6
73.21443	1.4
78.04714	2.6
79.05505	9.7
81.03412	2.9
81.07047	5.7
83.04971	2.4
83.08630	2.2
85.02892	2.1
86.09719	2.4
91.05459	8.7
91.81894	1.3
93.07051	4.1
95.04969	6.1
95.08610	5.9
97.06517	1.8
98.00236	1.3
98.97577	2.8
100.11266	3.3
103.05469	4.7
105.03393	2.3
105.04514	1.6
105.07065	9.7
105.07655	1.8
106.04182	3.9
107.04979	13.7
107.08595	2.6
109.02879	1.6
109.06516	1.5
109.10142	3.2
111.04456	3.8
115.05450	4.7
117.07028	2.8
118.04179	2.1
119.08585	6.5
121.06517	3.1
121.10091	1.7
122.03587	1.6
123.04422	6.3
123.08060	2.4
124.05226	3.5
124.53580	1.5
124.92117	1.5
125.06033	1.8
126.77424	1.6
127.03941	2.2
128.06245	5.4
128.61313	1.3
129.07021	10.7
131.04919	5.4
131.08597	2.9
132.05759	3.8
133.06462	3.4
133.10136	5.4
137.05971	8.0
144.05733	2.9
145.06471	2.8
147.04445	2.4
147.08051	4.5
147.11636	1.5
149.06009	5.1
149.09612	1.8
151.03848	2.4
152.04726	2.7
153.05446	1.9
156.05704	2.4
157.06474	1.9
159.08118	7.3
160.05188	4.3
161.05995	9.2
161.13205	2.2
165.06964	1.7
165.09134	4.3
167.07054	100.0
168.05803	1.6
168.07445	2.1
171.08130	2.1
172.05183	2.5
175.07558	34.2
176.04561	2.0
177.05458	2.4
178.07730	2.0
179.14346	2.2
181.08540	2.0
185.05853	2.1
187.07573	19.6
189.07086	2.3
189.09027	2.8
191.07043	14.0
191.08565	2.5
191.14255	2.5
197.15402	2.5
199.07541	5.7
202.07834	2.5
203.08511	2.8
206.07214	3.5
207.08145	1.6
209.08064	2.4
215.08582	1.8
217.06720	1.6
217.08650	6.4
218.07315	3.4
219.08070	3.4
221.09668	4.4
223.07684	2.2
231.08138	4.3
233.09579	3.3
234.06805	4.4
235.07489	3.6
241.08620	1.4
247.07516	3.2
248.08264	2.0
249.09204	7.2
251.07086	2.3
261.09192	4.1
262.06299	1.7
276.07828	1.9
276.72906	1.9
277.08588	6.5
278.09244	2.7
281.11740	9.4
289.08572	5.2
293.08411	2.5
293.11853	3.9
294.08932	2.4
300.09879	2.8
307.09714	3.9
309.11127	10.8
321.11252	9.5
325.90268	1.6
326.11545	2.0
339.12350	12.2
341.13855	12.0
353.13892	7.5
353.19757	2.0
371.11084	3.2
371.16287	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	371.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01885	1.8
57.03432	1.2
64.41339	1.2
67.05494	1.9
69.07051	1.4
70.06590	1.3
71.55953	1.6
76.08929	1.1
78.04713	4.8
79.05508	11.8
81.07076	2.4
85.02924	1.6
91.05489	4.8
95.04963	2.1
97.02888	1.1
97.06518	5.3
98.97579	1.2
103.05453	2.9
105.07076	8.2
106.04191	1.8
107.04970	13.9
107.08614	1.3
115.05455	4.1
117.07024	2.4
118.04234	1.3
119.08601	2.3
121.02856	1.5
121.06525	2.5
123.04427	9.9
124.05210	5.9
128.06230	4.3
129.07057	8.8
131.04927	4.5
131.08603	1.8
132.05716	4.0
133.06480	5.4
137.05980	3.1
144.05698	3.4
145.06479	2.2
147.08046	5.1
149.05959	1.2
151.03876	2.3
152.04710	4.0
153.05530	2.1
155.04855	1.6
157.06528	2.1
159.08034	8.3
160.05278	1.9
161.06021	8.0
167.07069	100.0
168.07433	2.0
171.08000	2.0
172.05240	3.6
174.06696	1.6
175.07590	29.4
176.04706	1.9
177.05489	2.9
178.07722	1.7
179.08646	2.0
187.07590	21.7
189.07169	2.6
189.09019	3.0
190.07751	2.2
191.07051	7.3
191.08582	2.2
199.07576	8.5
201.05414	1.5
202.07822	4.2
203.08577	4.6
205.10295	1.7
206.07248	3.2
207.07939	1.7
215.08659	1.8
217.06688	1.4
217.08578	3.0
218.07346	5.1
219.08110	4.0
221.09618	2.2
231.08069	3.5
232.08966	2.2
233.09647	2.8
234.06718	4.9
235.07626	3.3
236.08157	2.1
241.08701	2.0
246.06567	1.7
247.07541	3.5
248.08269	1.3
249.09076	7.2
250.10158	1.3
251.07050	3.0
259.07504	1.9
260.08295	2.4
261.09113	4.9
262.06146	1.7
263.07071	2.5
264.07925	1.4
265.08600	1.4
266.09399	2.5
276.07819	1.6
276.11832	1.2
277.08609	5.5
278.09320	3.4
279.06400	2.0
279.10300	1.6
281.11804	8.3
289.08612	5.4
290.09244	1.6
291.06854	1.5
293.11743	4.8
294.08691	1.5
295.10059	1.4
309.11234	10.8
311.09119	2.3
321.11307	7.7
322.12024	2.8
325.14157	1.5
326.11542	3.4
339.12268	1.6
341.13980	9.2
353.13864	5.1
371.10822	1.8
371.14755	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	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13568	2.8
52.68864	2.8
53.03934	4.8
55.01865	6.7
55.05530	7.5
56.96564	5.7
57.03440	3.4
58.23735	2.8
62.33630	2.6
65.03939	4.7
67.05500	6.7
69.03410	6.1
69.07069	6.1
70.06579	4.8
71.04995	4.3
71.55433	4.1
79.05488	17.5
80.29594	2.6
81.03414	7.7
81.07051	12.9
83.04961	3.2
83.08615	6.0
85.02900	6.8
91.05470	13.5
93.07043	9.1
94.04219	4.5
95.04968	8.6
95.08632	6.5
97.02931	5.3
97.06527	20.2
98.97601	3.6
99.04510	4.0
103.03984	4.0
104.27682	3.3
105.07024	11.3
107.04975	29.1
107.08577	4.2
109.06540	3.4
111.04424	4.7
115.05466	7.1
116.06251	5.2
117.07004	5.1
119.08546	3.2
121.06458	3.5
121.10135	4.2
122.03651	10.3
123.04459	6.4
123.08118	3.6
124.05214	4.8
125.06055	7.3
127.03954	5.1
128.06235	6.2
129.05478	4.9
129.06998	20.1
131.04922	9.9
131.08580	12.2
132.05736	5.6
133.06454	2.8
135.04387	6.3
135.08139	3.9
137.05989	100.0
141.06960	9.6
144.05701	8.5
145.06523	7.2
147.04388	3.6
149.05959	6.4
151.03908	8.9
151.07570	5.0
152.78674	3.0
153.05499	5.6
155.06038	3.4
155.08678	3.3
156.05708	26.4
157.06502	8.1
159.04459	3.2
159.08076	25.0
160.05196	6.7
161.05992	5.5
163.03908	8.7
163.11258	4.9
167.07068	84.8
172.05225	5.2
173.06004	6.8
174.06766	6.1
175.07567	24.7
177.05482	10.2
177.09093	3.1
178.07784	5.9
179.07101	4.6
181.04991	4.3
181.06491	5.5
184.05211	6.2
185.06068	3.0
186.06813	3.7
187.07536	28.7
189.06979	5.4
189.09149	7.2
190.06108	3.5
190.07799	4.2
191.06999	5.0
191.08682	5.5
193.10159	4.4
195.08176	4.5
198.06812	3.1
199.07538	4.9
201.09149	3.3
202.06250	9.2
202.07878	3.9
203.06961	4.3
203.08606	12.5
205.06677	3.9
205.08517	6.8
205.10255	4.2
206.07298	7.4
207.08069	6.0
211.07530	4.9
215.06848	7.0
215.08676	5.8
217.08633	73.4
218.07350	14.4
219.08008	9.9
219.10068	7.3
221.09633	9.8
223.07610	8.3
224.04709	6.4
226.06200	3.8
226.57642	2.9
227.07217	4.4
229.08603	8.1
231.08005	10.7
232.08884	6.5
233.06013	5.0
233.09654	15.0
234.06813	14.4
235.07526	12.0
237.05574	3.4
239.07001	22.6
241.08676	16.2
242.05692	4.6
246.06825	8.7
247.07481	9.0
247.09705	31.3
248.08339	6.2
249.09116	24.6
250.09808	3.5
251.06989	11.9
252.07874	12.2
257.08170	7.5
260.08340	5.1
261.06335	3.2
261.09155	31.4
262.06384	6.5
262.09528	4.6
263.06985	9.7
263.10831	4.5
264.07864	3.4
265.08582	6.4
266.09454	4.1
267.10104	3.7
269.08041	8.5
271.06073	7.3
277.08560	22.8
278.06155	3.6
278.09317	14.7
279.06439	7.2
279.10004	5.4
280.07343	6.6
281.11618	14.0
283.09808	3.7
285.07584	49.4
286.08307	4.3
289.08633	13.3
291.06714	3.7
291.10126	3.8
293.08258	5.7
293.11685	25.5
295.09576	6.9
300.09964	54.2
301.10718	17.0
306.08762	11.1
307.09650	9.2
309.11234	32.8
311.08972	4.9
313.10620	17.0
321.11194	34.8
322.11789	5.6
323.09045	15.0
326.11469	18.2
327.12213	5.3
338.11560	5.7
339.12109	5.2
341.10242	4.0
341.13852	16.7
353.13843	70.8
371.11072	5.0
371.14954	40.1
371.24014	6.2
372.11713	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	371.1682
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
53.03946	0.5
55.05522	2.2
56.96561	0.4
57.07057	0.7
69.03436	0.6
70.06604	5.1
71.05547	0.9
72.08162	2.2
73.04762	0.5
79.05522	0.4
81.07072	0.7
83.04984	0.6
83.08625	1.2
84.04498	0.5
84.08145	1.1
85.02905	1.0
85.06527	0.4
85.74259	0.4
86.09706	2.6
86.49093	0.4
91.05833	0.5
95.05003	0.6
95.08582	0.4
97.02868	0.5
98.97607	0.9
100.07628	2.5
100.11269	4.0
105.03386	2.0
105.07030	0.4
107.04997	0.9
109.02874	0.7
111.04469	2.7
112.07571	0.4
116.07111	1.4
119.01928	0.7
119.04950	0.5
121.10083	0.5
126.05385	0.4
127.03961	0.5
128.07089	1.9
129.05495	0.5
129.10277	0.4
137.05994	1.2
141.10310	0.5
147.04422	2.2
151.03984	0.6
167.07062	0.4
169.09654	0.4
175.07616	0.5
182.15407	5.7
201.03783	0.5
203.05330	0.8
209.04509	0.4
209.11542	0.5
209.16637	0.6
210.14897	7.9
217.08569	0.7
219.01826	0.4
219.39140	0.3
227.17598	1.6
229.15622	0.4
237.02676	0.5
241.08554	0.6
244.20370	1.8
251.11302	0.6
261.09061	0.4
282.84778	0.4
299.10965	0.9
337.21259	2.9
339.12363	0.4
341.15854	3.6
354.23978	3.8
371.16821	100.0
372.17126	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03946	1.9
55.01874	1.5
55.05509	3.7
56.96581	0.7
57.03434	1.1
57.07076	2.7
67.05506	3.1
69.03075	0.9
69.03436	12.9
69.07088	3.7
69.07410	0.7
70.85290	1.0
71.04996	0.7
73.02922	1.2
79.05498	2.7
81.03409	1.4
81.07054	5.5
81.46296	0.6
83.04990	11.9
83.08635	1.3
84.08115	0.8
85.02914	4.8
85.06547	3.5
89.06049	0.9
91.05457	3.3
93.07061	3.8
95.04984	2.7
95.08620	8.2
95.10577	0.7
97.02897	3.2
97.06535	2.0
99.08093	0.7
101.06039	0.8
103.02158	0.6
105.03409	12.8
105.07039	4.0
107.04983	0.8
107.08605	16.1
109.02853	0.7
109.06534	7.5
109.10155	3.0
111.08098	7.4
119.08590	4.2
121.06495	1.5
121.10162	9.2
123.08073	4.2
123.11710	1.9
125.09644	28.7
127.03938	3.4
127.69443	0.5
129.05446	0.9
131.08582	7.9
131.69193	0.6
133.10147	7.3
135.08066	21.4
135.11725	5.1
136.08832	0.8
137.06007	0.9
137.09624	0.8
143.08600	1.2
145.10124	3.4
147.11714	3.3
149.09633	13.5
149.13277	4.9
150.10384	2.5
151.11195	1.9
153.09135	8.7
158.10927	3.6
161.09651	1.0
163.11212	7.5
163.14836	5.6
165.12782	2.3
167.10681	1.6
173.13292	20.6
176.11990	2.7
190.93062	0.7
191.14326	91.4
192.14656	1.1
193.04962	1.2
209.04459	1.1
209.15387	100.0
210.15744	2.3
221.04778	1.7
249.04330	0.9
353.19687	2.9
353.23486	0.6
371.12347	1.2
371.16638	8.3
371.20700	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08092	2.7
53.03946	16.3
55.01865	6.0
55.05518	38.3
57.03432	12.2
57.07074	18.7
59.04995	7.3
61.02908	3.4
65.03952	3.3
67.05499	15.7
69.03429	30.5
69.07071	36.9
70.06601	9.1
70.50700	9.3
70.51045	2.9
71.04971	7.5
79.05512	31.4
81.03419	13.7
81.06585	4.9
81.07067	100.0
83.04990	26.9
83.08629	77.5
84.04514	4.8
85.02914	28.6
85.06554	6.6
86.09742	3.3
91.05494	10.2
93.07053	33.9
95.04998	19.5
95.08611	15.4
95.83213	2.9
97.02895	12.8
97.06520	17.5
97.10160	4.6
99.04465	10.7
99.08107	3.4
101.06032	3.3
103.11010	3.1
105.03403	71.9
105.07026	13.0
107.04977	3.1
107.08617	43.7
109.02868	6.4
109.06530	72.6
109.10165	42.0
111.08102	21.6
113.05996	2.8
117.07018	5.0
117.53497	3.5
119.04967	3.6
119.08575	11.2
121.06512	4.4
121.10162	35.4
123.08053	9.6
123.11713	24.8
125.09593	4.6
125.13277	9.8
127.03942	20.6
129.05476	7.9
129.07079	3.1
131.08592	7.6
133.10167	21.7
135.08072	14.6
135.11723	4.7
137.06029	5.8
137.07063	5.4
137.09610	4.3
139.07536	3.5
145.04959	5.9
145.10147	3.9
147.08046	3.2
147.11684	6.8
149.09621	6.6
149.13275	58.3
151.11148	8.4
153.09094	10.1
163.11218	3.0
163.14842	12.7
165.09123	3.2
167.07014	8.7
167.14323	76.1
169.12305	3.8
171.10208	8.1
173.13264	12.5
179.08211	10.1
181.15842	4.8
191.14316	35.3
193.04921	7.5
209.15405	30.9
221.04842	6.6
227.16386	5.1
339.12247	4.7
353.19794	7.1
371.12567	4.0
371.16660	14.7
371.20801	10.5
377.64267	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	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
53.36556	1.4
55.01860	3.3
55.05262	2.9
55.05510	35.2
56.96558	4.0
57.03436	20.6
57.07081	12.1
65.03928	5.1
67.05507	87.3
68.57675	1.6
69.03421	2.6
69.07066	28.0
71.04970	5.6
71.08631	27.0
71.54890	2.7
73.04791	1.5
79.05499	35.1
79.71305	1.7
80.34839	1.7
81.07059	100.0
82.07371	1.6
83.04973	6.8
83.08621	18.9
85.06532	4.7
85.10182	23.0
91.05480	30.7
93.07053	32.9
95.04972	5.1
95.08609	78.5
97.06529	13.6
97.10154	7.8
99.08092	24.9
101.05956	1.8
105.07031	16.2
107.08588	21.1
109.06515	2.8
109.10165	29.7
111.04385	2.2
111.08033	3.4
113.09649	33.1
117.06997	3.5
119.04951	10.0
119.08578	16.4
121.10146	17.4
123.08051	4.6
123.11692	13.7
125.09600	3.3
127.11253	2.0
129.05486	2.9
129.06973	2.3
131.08582	11.3
133.10133	17.6
135.08069	3.1
135.11700	10.2
137.13249	8.9
139.11232	3.3
141.12767	1.6
145.10124	5.4
147.04422	27.7
147.11687	16.4
149.09624	2.1
149.13266	13.6
151.11211	4.0
151.14807	3.6
153.12810	2.8
153.76491	1.7
159.11685	4.6
161.13255	11.3
163.11197	2.9
163.14815	7.0
165.12743	7.7
167.14294	6.3
173.11800	1.9
173.13264	5.8
175.14810	1.8
177.12708	2.5
177.16367	3.3
179.14313	4.5
181.04941	4.7
181.15887	4.8
187.14728	2.6
195.13893	2.7
209.15363	3.5
233.22673	2.2
243.21063	6.8
253.17995	3.4
261.22189	11.5
263.82239	2.1
279.23184	38.4
306.56628	1.6
353.26941	14.8
371.11038	4.9
371.28238	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	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
53.36556	1.4
55.01860	3.3
55.05262	2.9
55.05510	35.2
56.96558	4.0
57.03436	20.6
57.07081	12.1
65.03928	5.1
67.05507	87.3
68.57675	1.6
69.03421	2.6
69.07066	28.0
71.04970	5.6
71.08631	27.0
71.54890	2.7
73.04791	1.5
79.05499	35.1
79.71305	1.7
80.34839	1.7
81.07059	100.0
82.07371	1.6
83.04973	6.8
83.08621	18.9
85.06532	4.7
85.10182	23.0
91.05480	30.7
93.07053	32.9
95.04972	5.1
95.08609	78.5
97.06529	13.6
97.10154	7.8
99.08092	24.9
101.05956	1.8
105.07031	16.2
107.08588	21.1
109.06515	2.8
109.10165	29.7
111.04385	2.2
111.08033	3.4
113.09649	33.1
117.06997	3.5
119.04951	10.0
119.08578	16.4
121.10146	17.4
123.08051	4.6
123.11692	13.7
125.09600	3.3
127.11253	2.0
129.05486	2.9
129.06973	2.3
131.08582	11.3
133.10133	17.6
135.08069	3.1
135.11700	10.2
137.13249	8.9
139.11232	3.3
141.12767	1.6
145.10124	5.4
147.04422	27.7
147.11687	16.4
149.09624	2.1
149.13266	13.6
151.11211	4.0
151.14807	3.6
153.12810	2.8
153.76491	1.7
159.11685	4.6
161.13255	11.3
163.11197	2.9
163.14815	7.0
165.12743	7.7
167.14294	6.3
173.11800	1.9
173.13264	5.8
175.14810	1.8
177.12708	2.5
177.16367	3.3
179.14313	4.5
181.04941	4.7
181.15887	4.8
187.14728	2.6
195.13893	2.7
209.15363	3.5
233.22673	2.2
243.21063	6.8
253.17995	3.4
261.22189	11.5
263.82239	2.1
279.23184	38.4
306.56628	1.6
353.26941	14.8
371.11038	4.9
371.28238	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	371.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01870	6.7
55.05522	37.5
57.03429	11.9
57.07078	5.5
67.05516	86.8
69.03436	4.1
69.07076	39.5
69.72392	9.1
69.72807	10.6
71.08293	6.1
71.08644	88.5
79.05494	33.7
81.03401	4.5
81.07068	100.0
83.04974	10.0
83.08619	21.8
85.06549	6.5
91.05466	27.1
93.07054	35.6
95.04986	5.1
95.08055	5.9
95.08624	79.9
97.06516	13.4
97.10183	20.1
99.08109	80.1
101.06021	4.6
105.07047	28.0
107.08598	30.0
109.06508	3.8
109.10172	40.8
111.08107	10.3
113.09641	4.6
117.06993	6.5
119.08600	21.1
120.95905	3.3
121.10148	22.5
123.11709	11.2
125.09647	12.0
129.05447	3.3
131.08562	11.4
133.10152	4.7
135.11722	21.1
137.13203	10.9
142.54654	3.6
145.10124	8.6
147.11714	41.2
149.13281	9.9
151.14888	5.2
153.12762	12.5
154.75067	3.5
159.11769	3.7
161.13208	7.6
163.11159	13.6
163.14870	23.6
165.12741	20.8
167.14381	5.2
173.11775	10.4
173.13208	8.3
175.14989	3.6
181.15836	11.6
189.11305	3.6
195.13918	3.9
233.22641	7.0
243.21136	21.6
251.23538	3.8
251.90828	3.6
255.19606	5.1
261.22180	34.9
279.20343	5.6
279.23233	84.3
353.26938	72.5
371.28299	5.1
372.34891	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.1
55.05519	40.0
57.03436	7.9
57.07061	10.6
67.05517	69.7
69.07063	38.2
69.18533	47.5
70.45666	4.4
71.08640	84.9
79.05508	35.2
79.72396	4.2
81.07068	100.0
83.04987	10.2
83.08628	25.3
85.02936	5.0
85.06527	5.8
91.05466	26.5
93.07063	38.6
95.04981	7.9
95.08615	65.9
97.06514	7.9
97.10170	15.1
98.21524	10.6
99.08099	71.6
105.07037	21.2
107.08616	28.6
109.06497	7.6
109.10163	44.5
111.08092	11.1
117.07077	5.6
119.08596	18.9
121.10182	28.3
123.11674	8.7
125.09637	16.1
131.08582	14.1
133.10190	9.0
135.11729	18.4
137.13234	14.4
145.10107	14.1
147.11702	56.0
149.13297	11.6
153.12744	17.5
163.11183	12.6
163.14867	15.9
165.12794	16.7
167.14316	7.1
173.11745	15.8
173.13228	10.8
181.15837	7.4
225.74141	5.1
233.22705	7.2
243.21104	16.9
261.22092	31.4
279.23236	80.9
353.26901	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	372.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95023	0.3
53.03934	0.7
55.05272	0.4
55.05517	5.3
56.03790	0.3
56.05011	0.3
57.07081	9.2
60.04530	15.9
63.97727	0.3
66.78740	0.3
67.05164	0.4
67.05508	5.2
69.07072	9.7
70.06602	1.6
71.08284	0.4
71.08637	4.6
71.32360	0.4
75.00031	0.7
78.01129	3.4
79.05486	1.2
80.89355	0.3
81.06580	0.5
81.07063	9.3
83.08628	4.4
84.04508	0.5
84.08150	1.7
85.10192	2.3
87.04445	0.9
89.01584	1.0
92.02678	0.6
95.08616	7.1
97.10176	3.1
101.61854	0.3
103.03100	0.7
103.85087	0.3
106.04230	1.4
109.10165	3.8
111.11702	1.1
123.11726	2.0
231.00967	0.3
268.30020	7.1
294.31628	1.8
330.29245	15.9
331.29688	0.3
372.30304	100.0
373.30728	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15861	1.0
55.01868	1.2
55.05507	1.1
56.79193	0.8
56.96569	1.0
57.03428	1.5
67.05508	9.3
69.07069	2.3
71.55226	1.7
78.51078	0.9
79.05484	2.7
81.03407	1.5
81.07040	2.0
83.04977	1.3
83.08611	1.0
85.06550	5.7
89.65969	1.0
91.05492	5.2
93.07093	1.5
95.04980	11.7
95.08598	1.7
97.02900	1.1
97.06537	13.8
101.00910	1.2
105.07030	1.3
107.08600	1.0
109.10106	1.8
113.47836	0.9
117.07010	1.0
119.01941	1.8
119.08546	1.5
131.01880	1.2
131.04973	1.1
137.06007	4.6
137.09634	1.1
144.28319	0.9
155.01883	1.1
161.05978	1.4
167.07097	2.5
173.06046	1.8
177.05542	0.9
185.05980	1.2
185.09669	1.0
187.07445	1.1
199.07593	1.9
201.09076	0.9
211.13327	1.8
213.09167	1.1
215.07016	1.1
225.08905	1.0
227.07140	1.3
229.07466	2.1
239.10815	1.1
241.08707	1.1
241.12280	4.1
259.09732	1.2
265.12216	1.3
268.01700	1.0
271.04315	1.2
287.14737	2.6
305.14545	2.9
311.12704	3.6
313.11877	1.5
318.04227	1.1
323.15567	1.5
327.15860	1.4
329.15790	18.1
355.15436	10.6
373.14673	100.0
374.03528	1.0
374.15170	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	373.1838
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.05498	0.9
56.96559	0.9
59.62743	0.9
61.57634	0.8
69.03426	3.0
70.06606	4.1
70.78825	2.3
72.08150	2.3
79.05531	0.8
83.04942	0.9
84.04494	2.2
84.08144	2.6
84.26617	1.0
85.02887	1.3
86.09709	5.5
93.90115	0.8
97.02895	1.3
98.97597	1.1
100.31620	0.8
111.23052	0.8
115.03912	2.3
120.56373	0.8
123.04440	0.9
137.05994	3.5
141.73299	0.9
144.06581	2.3
145.02864	1.1
147.04424	1.4
147.07649	1.6
155.07021	1.0
161.09230	2.1
177.05510	2.4
193.12030	4.2
195.06511	1.1
195.13623	3.5
201.03671	4.3
203.05276	10.4
211.05923	1.0
235.03139	0.9
253.12930	1.1
373.18365	100.0
374.18878	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	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.05515	10.2
57.03438	15.2
57.07081	2.1
59.05024	2.1
65.03946	2.8
67.05511	68.2
67.05878	3.4
69.03075	3.2
69.03436	47.0
69.07056	4.4
71.04997	9.2
72.61003	1.6
73.02921	3.4
79.05480	3.9
81.03419	42.9
81.07053	12.5
83.04997	18.8
83.08621	6.6
85.02905	15.4
85.06518	2.9
87.04476	4.8
91.05477	7.6
93.07056	6.0
95.04958	4.4
95.08614	6.2
97.02892	25.0
97.10198	3.2
99.04455	8.8
99.08110	1.8
106.01165	1.7
107.08570	3.4
109.02895	11.2
109.10171	63.1
111.04469	10.5
111.08072	3.8
119.08591	7.8
125.09644	4.5
127.03950	22.0
129.05495	8.2
137.05977	5.1
137.09654	4.3
142.83484	1.6
144.75090	1.8
145.04950	2.5
155.10680	10.4
166.26462	1.6
173.04482	4.9
173.11761	54.9
189.11235	7.8
229.14368	7.9
299.14914	12.4
337.31274	1.9
355.17569	4.1
373.18597	100.0
373.25836	4.2
380.72403	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	373.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.2
55.01873	2.0
55.05506	2.3
56.05025	4.4
56.42680	1.3
56.96565	4.1
57.07073	1.8
67.05508	7.3
68.05044	1.9
69.03449	2.9
69.07076	5.5
70.06607	10.7
71.04990	2.8
71.06053	3.5
72.08163	4.6
74.02455	1.4
79.05511	7.1
81.07092	1.5
84.04121	0.9
84.04513	38.6
84.08154	100.0
85.02920	5.4
86.06070	1.7
86.09716	33.5
87.04458	2.2
89.03913	4.4
95.05000	12.0
96.04527	1.4
97.06543	53.9
98.06034	1.5
98.97581	3.8
102.05542	1.7
104.61179	1.4
105.03394	3.3
108.08115	1.9
112.07633	2.5
113.06047	11.1
116.07112	5.4
117.03385	3.7
126.09171	36.1
130.05020	20.8
130.08658	86.8
133.36052	1.3
134.09644	2.8
135.04431	5.4
137.05997	5.1
139.90175	1.6
143.00180	1.7
144.06569	5.9
145.02846	4.1
147.04437	3.0
147.07655	2.6
150.09111	2.9
152.10674	2.6
154.08644	57.0
161.09273	6.8
163.03925	23.2
173.09268	3.3
177.05481	2.6
181.04968	5.8
185.16426	1.6
196.09717	26.7
198.11279	9.1
199.09494	1.9
199.18034	2.2
200.09209	24.7
215.13998	1.7
219.10150	1.5
227.17599	1.5
237.00694	1.7
239.12112	1.4
242.10240	21.6
259.12930	54.9
280.10715	1.5
329.17059	14.5
330.33401	1.9
373.10999	1.9
373.15048	2.1
373.19421	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	374.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94155	0.5
52.87357	0.5
55.01879	0.8
57.03442	3.5
69.03429	0.6
70.06599	2.3
70.71394	1.1
71.01372	3.8
73.02925	5.4
78.03469	4.8
79.04240	0.7
80.05031	3.0
83.01325	0.7
84.04507	1.9
85.02911	10.5
95.01338	6.3
96.04528	2.5
97.02959	0.7
99.00806	1.3
101.02378	1.5
101.78300	0.5
103.03958	1.8
106.02927	19.7
113.02385	4.3
116.07105	2.1
124.03967	100.0
130.05106	0.5
131.03442	1.4
141.01848	10.0
151.15364	0.4
159.02917	1.8
175.14799	0.4
180.06575	16.7
189.42651	0.5
198.07637	87.6
199.08066	1.2
222.07811	0.5
242.73503	0.5
245.11404	0.9
374.10883	6.5
384.12827	0.5
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
53.03940	3.8
53.79057	0.9
55.01864	4.2
56.81947	1.0
56.96559	2.1
57.03422	3.4
61.02920	2.1
65.03932	2.2
67.05486	1.0
68.99751	1.2
69.03437	14.7
69.07075	1.3
70.06603	5.3
70.86771	2.0
70.87127	1.2
71.04984	1.4
72.08147	1.7
73.02914	2.8
81.03416	11.1
83.04960	0.9
84.04506	9.9
84.08152	1.5
85.02907	44.3
86.09221	1.9
86.09708	30.2
87.00829	18.1
91.05483	100.0
92.05794	1.0
97.02892	16.8
98.97580	1.1
99.04444	6.7
102.05540	3.5
105.01865	25.9
105.07037	2.0
108.04485	2.0
109.02880	15.4
111.04492	1.2
115.03931	1.4
116.07070	1.1
117.01825	1.4
119.04951	1.1
126.05515	1.3
127.03920	33.1
129.01852	1.9
129.06850	1.2
132.10207	13.1
133.06418	1.1
141.06628	1.4
145.04945	14.4
145.06438	2.6
147.02882	2.1
151.03949	5.4
154.06537	1.3
159.02872	7.2
170.11728	1.0
171.08076	1.1
175.07492	1.8
188.07089	2.0
189.03975	2.2
197.12952	6.8
199.07495	1.6
213.03957	1.5
214.08452	0.9
215.13953	11.7
217.08553	1.5
225.12386	1.5
231.05052	10.0
231.11211	2.1
237.00716	1.9
243.13455	3.3
248.07713	1.2
249.06058	2.0
326.21066	1.1
340.19156	1.0
377.10632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
61.02921	1.4
69.03432	5.8
69.51517	6.4
70.06593	5.4
72.08160	2.9
81.03423	2.5
82.36453	0.9
84.04498	2.4
84.08142	2.5
85.02908	15.0
85.98254	1.0
86.09710	4.0
89.03904	4.5
91.05509	1.1
97.02893	3.2
97.06540	0.9
98.97594	2.1
109.02899	1.3
116.98611	1.6
117.03396	14.6
126.64423	0.8
127.03946	2.6
134.03674	1.7
135.04416	1.6
145.02852	39.8
145.04988	3.7
149.05997	7.4
163.03859	2.4
177.05476	100.0
178.05887	1.7
180.08736	0.9
195.04727	2.0
195.06525	40.6
206.52371	0.9
273.04590	0.9
327.32983	0.9
337.87302	0.9
374.18561	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	374.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24477	1.1
56.05024	4.0
69.85297	1.9
69.85641	4.6
70.06597	100.0
71.04993	2.1
72.08163	8.4
80.96851	1.2
84.04509	75.5
85.02933	2.2
94.06593	1.8
96.14393	1.0
98.06084	2.0
98.21410	1.7
99.04473	4.1
102.05573	5.6
104.04401	1.0
116.07101	86.7
118.97902	1.2
122.06033	3.2
124.03963	2.9
126.09197	1.8
130.05014	22.5
136.07603	3.3
148.06073	1.7
149.07118	2.4
150.05548	2.1
154.08658	2.5
166.08403	4.3
168.06555	5.3
180.06578	1.5
181.09871	1.2
182.08136	24.0
184.09746	4.5
195.07639	3.7
196.06136	1.7
198.07602	1.7
199.10786	3.0
201.12364	2.5
212.08923	7.1
227.10345	1.7
228.08669	12.1
241.08235	4.1
242.06650	2.4
245.11343	47.1
311.12415	1.8
357.13174	1.2
374.14636	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	374.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05511	2.6
56.96560	3.4
57.03436	1.0
65.03940	1.5
67.05496	2.9
69.03429	1.7
69.07063	2.8
70.02935	1.2
70.06601	2.1
70.09132	2.7
73.02924	4.1
74.91959	0.7
78.53374	0.7
79.05505	1.7
81.03417	2.4
81.07045	2.8
84.04491	1.1
85.02902	1.5
85.04018	1.5
85.06541	0.9
86.09717	100.0
88.04006	8.3
91.05472	3.5
93.07053	1.4
95.04964	3.7
95.08585	1.6
96.04542	1.0
96.05299	1.3
96.08136	2.2
97.02894	1.1
97.06535	2.2
98.02408	2.8
98.97583	2.2
100.03973	4.6
105.07048	1.3
107.04964	0.9
107.08617	1.1
109.10159	1.1
113.10781	1.9
116.05746	0.7
116.98653	0.8
119.04961	1.4
123.08065	1.0
124.59370	0.9
127.04015	1.0
128.98578	0.8
137.05968	2.0
138.06412	0.9
138.09158	4.3
141.10249	8.5
142.08571	1.2
146.11775	38.5
149.01236	1.3
151.03947	1.8
153.01915	1.2
155.11772	1.2
156.10223	7.8
163.03947	1.5
180.07239	1.6
181.05086	0.9
183.11319	5.1
184.09692	2.3
201.12369	66.4
202.12776	1.1
220.17041	0.8
222.10287	0.7
223.06250	0.9
229.11864	12.7
238.09477	0.9
242.12604	1.6
266.12485	0.9
267.09149	0.8
273.08002	0.8
285.10114	1.6
296.19772	1.0
297.04013	1.2
312.13391	1.5
318.09534	0.7
356.15701	2.6
374.03336	2.3
374.08768	3.9
374.16559	6.5
374.23471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2291
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
51.50340	0.3
51.67328	0.3
53.03940	0.4
55.05505	0.5
56.05053	0.3
56.96569	0.7
57.03440	0.4
58.06595	0.3
64.64306	0.3
67.05508	0.5
68.05000	0.3
69.03435	0.9
69.07065	1.2
70.06600	5.6
71.05030	0.3
71.06943	0.4
71.38461	0.5
72.08166	1.7
79.05526	0.3
81.03411	0.9
81.07082	0.4
83.08622	0.3
84.04511	5.9
84.08151	3.4
85.02911	2.5
85.04848	0.4
85.08470	1.0
86.09711	100.0
87.04459	0.3
87.10036	1.6
89.03999	0.3
91.05471	0.4
93.07045	0.3
97.02897	1.0
97.06535	1.1
98.97585	0.7
99.04502	0.4
102.05553	1.4
105.03330	0.3
106.90517	0.3
107.04990	0.3
108.08167	0.3
108.22705	0.3
109.02908	0.7
113.06000	0.4
116.07077	1.0
116.98635	0.5
117.03416	1.0
127.03950	0.8
129.10271	1.2
130.05031	3.0
130.08653	1.2
131.08984	0.9
136.07576	0.4
137.06030	0.7
144.06598	1.2
145.02853	3.1
147.04431	0.8
148.06067	8.3
149.06032	0.5
154.08621	0.3
157.13344	0.6
161.09235	1.4
162.09560	0.7
173.09258	1.1
177.05482	5.1
178.05804	0.3
180.36690	0.3
182.08142	0.4
184.09735	0.4
195.06532	2.6
196.09715	0.3
197.10051	0.4
198.07912	0.4
199.18071	32.8
200.09216	0.3
200.18481	0.4
211.54327	0.4
218.08186	0.5
219.01933	0.4
220.24998	0.3
220.54712	0.4
227.17555	14.0
227.19783	0.7
232.02580	0.3
243.13538	0.4
260.13315	0.4
261.14496	7.8
270.14539	1.5
271.14899	0.8
289.12753	0.5
299.16138	0.4
324.20239	0.3
331.13699	1.9
365.05453	0.5
374.18750	0.7
375.12491	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1267
Annotation	Dercitamide
Peak:m/z	Relative Intensity
53.03952	0.8
56.05025	1.3
56.96559	2.5
69.03418	2.0
70.06606	12.5
70.82850	1.1
70.83187	2.0
71.04985	0.9
72.08147	1.9
82.06572	2.0
84.04526	6.9
84.08167	7.6
85.02902	3.0
86.09718	5.0
88.04025	0.9
89.88734	0.9
95.04922	1.3
97.02906	1.3
98.06071	1.8
98.97585	2.3
102.05531	1.2
105.03390	3.2
105.07067	0.9
106.22214	0.9
107.46291	1.0
109.02941	1.1
109.06538	1.0
109.10070	1.0
110.06019	1.2
116.07089	1.8
116.98606	1.0
119.01884	1.7
126.05518	1.5
126.09178	1.6
127.04021	1.2
127.07320	1.1
129.10275	2.4
130.05029	1.6
130.08669	1.3
131.01883	1.1
136.03931	1.9
137.05992	1.1
147.07646	2.4
151.03928	1.0
151.07568	3.0
154.08624	1.0
157.03462	0.9
161.02954	1.3
163.03932	2.4
170.04510	1.4
170.20966	0.9
182.08157	2.0
183.31836	0.8
184.06076	2.2
185.04340	0.9
195.10109	0.9
196.09613	2.2
197.08163	1.1
199.08191	1.1
201.12415	2.4
205.09338	1.8
227.05214	1.1
271.04239	1.1
277.66537	1.0
285.10800	1.5
289.12546	5.8
307.12320	1.4
313.12512	1.2
331.13660	38.3
375.12607	100.0
376.13031	1.4
399.99356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.05520	23.1
56.96575	8.9
61.13817	3.0
65.03955	5.3
67.05515	36.2
69.07072	14.3
69.19893	32.8
71.04993	4.3
79.05504	27.5
81.03419	5.6
81.07061	58.6
83.05004	4.3
83.08620	4.8
84.01590	3.9
91.05480	52.6
93.07048	66.4
94.07935	3.5
95.04980	34.7
95.08613	48.3
95.89423	3.7
97.06537	6.7
103.05491	6.5
105.07040	100.0
107.08593	36.3
109.06512	10.8
109.10169	33.7
117.07019	18.6
119.07813	5.1
119.08593	70.9
121.06499	15.5
121.10143	60.6
123.08010	6.5
123.11675	5.5
128.06226	8.1
129.07002	7.6
130.07785	4.4
131.08582	43.3
133.10149	34.9
135.11688	12.4
141.07016	6.3
142.07806	16.4
143.08562	26.2
144.09364	4.6
145.10126	59.1
147.11691	15.8
149.01201	11.9
155.08556	11.3
156.09323	8.2
157.10138	36.1
159.11697	26.5
161.09641	10.1
161.13217	7.3
167.08636	4.5
168.09357	6.0
169.10141	16.6
170.10893	7.8
171.11711	14.8
173.13271	10.1
175.14815	6.2
179.08583	5.1
181.10173	9.5
183.11703	13.8
185.13277	11.4
187.11266	5.3
187.14832	13.4
193.10120	5.5
194.10930	5.2
195.11661	10.0
196.12480	4.5
197.13319	9.5
197.62149	4.5
199.14825	7.6
201.16264	4.4
209.13324	10.8
211.14780	6.7
213.16417	5.9
217.63307	4.0
219.39818	3.5
223.14809	6.1
237.16243	3.6
337.20465	5.8
375.26529	25.0
375.30881	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	375.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.05519	13.1
57.03429	2.6
57.07079	3.3
65.03934	5.1
67.05511	27.1
69.07075	14.0
71.04984	3.2
77.03916	2.8
79.05501	35.7
81.03419	2.8
81.07062	56.0
83.04967	4.8
83.08627	5.6
91.05491	57.5
93.06477	4.5
93.07059	75.8
95.04388	2.6
95.04981	38.2
95.08046	3.5
95.08619	41.2
97.06519	8.9
97.50912	2.4
98.21548	3.6
103.05465	5.1
105.07043	100.0
107.08605	47.7
109.06534	13.6
109.10175	21.0
115.05463	4.2
117.07028	21.9
119.08597	81.9
121.06515	15.3
121.09318	4.9
121.10159	74.1
123.08087	6.9
123.11708	4.3
128.06233	10.5
129.06995	14.1
130.07768	7.9
131.08591	45.5
133.10139	46.7
135.08046	4.8
135.11682	16.0
141.06981	7.9
142.07779	20.8
143.08595	26.5
144.09344	6.9
145.06503	2.6
145.10141	56.0
147.08090	2.2
147.11703	19.7
149.13263	2.6
155.08562	9.4
156.09335	8.3
157.10153	43.5
158.10895	3.1
159.08095	4.1
159.11719	29.9
161.09663	11.5
161.13252	4.6
163.11188	2.4
165.06900	3.9
167.08528	5.5
168.09386	3.7
169.09033	1.9
169.10175	18.2
170.10925	5.6
171.11710	19.1
172.95168	2.8
173.09631	7.2
173.13254	17.4
175.11209	5.3
175.14841	8.8
179.08551	6.6
180.09280	3.5
181.10107	9.6
182.10881	4.3
183.11699	12.2
185.13246	9.5
187.11246	4.1
187.14857	14.2
192.09531	2.7
193.10193	5.5
194.11029	5.5
195.11687	6.9
197.13226	11.1
199.11182	3.0
199.14813	9.3
201.16376	6.2
205.10153	3.3
207.11649	3.0
209.13303	14.0
211.14825	7.4
211.43301	2.3
220.12497	2.8
221.13268	4.4
223.14757	3.9
224.02016	2.3
225.16435	2.8
227.14287	3.2
228.97786	2.5
233.13261	2.7
235.14792	4.2
238.73291	2.3
239.14296	3.3
246.49655	2.3
246.98947	2.9
251.38286	2.6
253.15869	5.0
253.19484	5.8
263.18213	3.0
269.12357	2.6
357.25601	4.2
375.26807	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2743
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.20866	6.7
55.05521	39.3
56.96557	23.4
57.03445	11.5
57.07091	9.0
61.02913	9.1
61.69781	6.4
67.05499	39.7
69.03428	14.7
69.07069	44.3
69.20774	70.6
70.06609	9.2
71.05012	7.9
73.02917	9.1
79.05498	32.1
81.03424	11.7
81.07060	100.0
83.04988	30.4
83.08623	14.4
91.05483	31.0
93.07063	54.3
95.04977	19.1
95.08614	84.3
96.08960	7.8
97.06525	19.6
97.10176	23.3
103.07386	7.3
105.07028	29.2
105.24574	6.7
107.08601	41.5
109.06491	15.6
109.10178	40.2
117.07030	8.4
119.08616	38.8
120.48112	6.4
121.10117	35.8
123.08015	9.0
125.09590	7.7
127.07608	13.0
131.08633	9.8
133.10129	21.6
135.11667	19.4
137.09583	7.2
137.13255	10.7
145.10117	15.9
147.11694	20.8
149.13281	13.0
159.08012	8.3
159.11691	9.8
161.13297	13.4
163.11214	6.7
173.13216	7.1
177.16389	10.1
195.17543	15.6
229.07515	12.9
237.00681	42.2
255.01845	11.7
257.22684	10.7
267.08923	19.9
275.23608	10.9
278.72592	8.0
285.10175	19.7
286.10602	9.4
303.23346	38.6
321.24332	30.0
375.11591	9.1
375.16483	14.7
375.21439	12.0
377.21695	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	376.1718
Annotation	Glu-Asp-Ile
Peak:m/z	Relative Intensity
55.05515	7.2
56.05044	2.3
56.96574	0.8
61.51834	0.6
70.06642	0.6
70.70978	1.5
72.08161	100.0
73.08504	0.7
77.67623	0.6
84.04510	55.7
84.50461	0.5
85.02918	1.6
86.09732	1.2
102.05534	4.2
110.09702	1.1
118.08665	55.1
119.08950	0.7
119.15691	0.5
122.06075	2.2
124.03977	0.7
130.05013	14.2
138.09183	2.8
143.24004	0.6
148.06088	1.5
149.07198	1.2
150.05545	1.6
156.10222	10.5
167.08197	0.8
168.06592	4.8
172.87596	0.6
184.09705	29.8
195.07739	2.7
196.06021	1.2
201.12447	1.9
229.11879	3.3
230.10240	11.4
230.12259	0.9
241.08287	2.7
242.06645	1.5
247.12920	44.9
267.13409	1.2
277.10434	1.0
295.13226	0.8
313.13977	2.7
359.14609	1.2
376.17062	5.4
384.85358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1458
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03933	1.0
55.01866	1.0
57.03196	0.8
57.03444	8.7
59.04997	1.2
60.13523	0.6
61.02926	3.3
62.42100	0.5
68.33719	0.6
68.53716	0.6
69.03085	1.0
69.03436	14.5
69.82159	2.0
71.01366	2.8
71.05002	3.6
73.02911	2.7
75.04467	2.0
81.03429	4.4
83.11186	0.6
87.04494	0.9
90.71262	0.5
99.04478	5.6
117.05482	1.3
145.07632	2.5
156.07693	0.9
157.06409	0.7
170.07123	1.7
172.08717	32.8
174.10239	0.9
175.08630	0.8
190.09737	1.7
198.06647	8.4
200.08247	5.6
216.07710	17.1
218.09317	1.0
243.08800	74.8
244.07103	1.1
359.13605	4.5
377.14587	100.0
378.14825	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.9
53.90678	1.0
54.41024	0.9
55.01849	0.9
55.05498	2.1
56.96572	5.7
57.03429	4.0
59.05028	1.1
61.02935	1.7
67.05511	2.6
69.03085	1.3
69.03435	18.6
69.07052	3.1
70.06582	2.3
71.04995	6.5
71.08592	1.5
71.54916	2.4
73.02893	1.3
79.05476	2.1
81.03419	32.3
81.07058	3.7
83.04973	2.1
84.08158	1.7
84.96009	1.3
85.02911	56.0
85.06557	1.3
91.05473	2.0
93.07032	2.9
95.04980	1.5
95.08591	2.0
97.02887	8.1
97.06500	2.7
98.97594	5.6
99.04463	30.3
103.03947	56.0
105.07059	2.6
107.04960	1.8
107.08595	2.0
109.02891	26.5
109.10162	1.4
110.97575	1.2
111.04402	1.2
116.98640	2.6
119.08577	2.8
120.87849	1.1
121.10166	1.9
123.04392	1.2
127.03927	100.0
128.98595	1.3
133.02734	1.3
137.05969	4.1
142.40469	1.0
145.04941	8.1
149.01207	1.5
151.03883	1.3
152.07069	4.2
163.03796	2.0
166.05011	5.0
167.02278	1.4
167.07117	1.6
170.08235	1.3
171.11884	1.1
177.05414	1.6
181.04984	3.2
182.08151	1.3
187.06067	6.9
195.55417	1.0
215.07150	1.4
219.01727	1.4
221.02995	1.3
237.02780	2.2
253.07048	2.3
271.08090	2.4
275.14941	1.3
311.05524	2.1
337.03513	2.1
394.23883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.9
53.90678	1.0
54.41024	0.9
55.01849	0.9
55.05498	2.1
56.96572	5.7
57.03429	4.0
59.05028	1.1
61.02935	1.7
67.05511	2.6
69.03085	1.3
69.03435	18.6
69.07052	3.1
70.06582	2.3
71.04995	6.5
71.08592	1.5
71.54916	2.4
73.02893	1.3
79.05476	2.1
81.03419	32.3
81.07058	3.7
83.04973	2.1
84.08158	1.7
84.96009	1.3
85.02911	56.0
85.06557	1.3
91.05473	2.0
93.07032	2.9
95.04980	1.5
95.08591	2.0
97.02887	8.1
97.06500	2.7
98.97594	5.6
99.04463	30.3
103.03947	56.0
105.07059	2.6
107.04960	1.8
107.08595	2.0
109.02891	26.5
109.10162	1.4
110.97575	1.2
111.04402	1.2
116.98640	2.6
119.08577	2.8
120.87849	1.1
121.10166	1.9
123.04392	1.2
127.03927	100.0
128.98595	1.3
133.02734	1.3
137.05969	4.1
142.40469	1.0
145.04941	8.1
149.01207	1.5
151.03883	1.3
152.07069	4.2
163.03796	2.0
166.05011	5.0
167.02278	1.4
167.07117	1.6
170.08235	1.3
171.11884	1.1
177.05414	1.6
181.04984	3.2
182.08151	1.3
187.06067	6.9
195.55417	1.0
215.07150	1.4
219.01727	1.4
221.02995	1.3
237.02780	2.2
253.07048	2.3
271.08090	2.4
275.14941	1.3
311.05524	2.1
337.03513	2.1
394.23883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13026	4.7
52.17331	4.4
53.03959	12.5
55.05504	19.4
55.98652	4.3
56.70041	4.2
57.07074	11.3
59.52057	4.6
62.50886	4.8
67.05510	27.5
69.07080	39.7
70.47987	5.2
71.55513	7.6
78.03083	4.9
79.05084	6.4
79.05480	30.7
81.07069	56.4
83.08626	11.7
89.06033	13.7
91.05482	38.7
93.04744	5.3
93.07062	58.1
95.04976	41.3
95.08629	58.7
97.06532	5.5
105.07045	100.0
106.07352	6.7
107.08632	45.4
109.06554	10.1
109.10143	25.0
117.07032	17.3
119.08592	77.2
121.06511	13.4
121.10187	33.3
123.11715	10.5
126.81056	5.4
128.06207	6.5
129.07019	8.9
131.08615	24.3
132.17926	5.0
133.08621	7.1
133.10175	37.1
135.11731	10.2
137.13220	5.5
137.83812	4.9
141.06949	5.4
142.07802	26.5
143.08586	19.1
145.06544	5.4
145.10155	45.0
147.11719	28.4
155.08559	11.6
156.09372	5.3
157.10167	38.9
159.11761	29.2
161.09602	12.8
161.13280	10.9
169.10135	20.9
170.10718	4.7
171.11719	17.7
173.13280	14.0
175.11208	8.6
175.14795	10.4
177.16423	13.9
179.08626	6.0
181.10120	6.1
183.11726	17.4
185.13251	10.7
187.14841	9.8
189.16386	9.1
193.47343	5.3
197.13257	9.8
199.14838	6.9
201.16405	5.1
203.18034	11.1
213.16316	8.8
225.16338	6.7
267.21191	6.3
326.37512	5.3
359.27362	5.9
377.28281	20.4
377.35278	15.2
403.70313	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	378.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05591	3.9
52.68231	4.0
53.03938	5.0
56.96563	9.9
59.46348	3.7
61.02917	4.6
69.03421	8.6
69.60373	30.0
70.06605	8.9
73.58437	4.2
84.08134	4.4
85.02914	22.1
95.04981	18.8
97.02891	10.7
98.97607	12.9
111.38480	4.0
112.31703	4.0
116.98643	4.3
123.04443	14.0
125.02379	6.6
140.00179	5.3
140.04700	92.8
140.05733	7.5
155.07069	45.4
163.04037	6.4
172.79968	4.4
178.27747	4.1
181.05009	17.1
199.06047	100.0
216.04703	5.4
314.05539	12.9
337.07227	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	379.1007
Annotation	vaccihein A
Peak:m/z	Relative Intensity
55.05514	1.1
55.54741	0.8
56.96566	2.0
60.02346	0.8
69.03431	1.7
69.35484	0.8
70.06615	5.3
71.54801	1.3
72.08157	6.2
81.03426	1.0
81.07028	1.1
84.08151	1.9
85.02926	0.9
86.09714	2.4
91.05495	3.0
93.77867	0.8
94.30893	0.9
96.91772	0.8
97.02910	1.6
98.97594	4.0
105.03398	1.9
107.04897	1.2
109.02871	1.4
110.97611	1.4
116.98619	2.0
120.08110	2.7
127.03976	1.6
128.28360	1.1
128.98622	1.0
129.10243	1.1
133.06516	1.0
135.04385	1.0
140.36420	0.8
145.02866	2.6
151.07495	1.3
153.05324	1.0
163.03940	1.9
177.05470	2.1
179.07013	2.0
181.04977	5.0
185.04233	5.0
207.06535	3.7
214.12018	1.2
217.04794	3.0
219.01714	1.4
221.05591	3.1
236.09044	1.0
237.02910	1.4
264.08545	3.0
282.09534	1.3
323.44412	1.0
335.15759	3.8
379.10034	100.0
379.14432	4.9
380.10495	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	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50344	4.5
51.83590	4.4
55.32197	4.2
57.26402	3.9
58.70671	4.3
69.24928	18.8
69.25359	23.2
82.38072	4.8
96.78755	4.2
148.34454	4.6
207.86391	5.0
219.02600	7.4
263.19077	4.0
264.27094	4.7
286.00397	5.0
293.36719	5.5
305.48959	4.5
356.98404	4.6
380.82053	4.2
381.07971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16904	0.4
63.19641	0.4
65.97812	0.6
70.56416	0.6
70.56746	0.9
83.55076	0.4
124.50737	0.5
124.65475	0.4
128.17896	0.5
157.45560	0.5
201.01582	3.3
219.02617	3.5
234.07559	0.5
308.22690	0.5
316.63458	0.4
381.07974	100.0
382.08310	1.9
391.94476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63573	0.5
55.05514	0.6
56.96569	1.1
57.07038	0.5
62.80157	0.5
69.03427	1.2
69.41718	3.0
69.42126	0.9
70.06599	2.4
72.08155	1.0
76.08656	0.5
81.03416	0.9
84.04526	0.7
84.08144	1.6
85.02914	2.1
86.09707	1.3
95.05000	0.9
97.02915	0.6
98.97592	2.2
99.08101	1.1
105.03429	1.0
109.02857	0.7
116.98616	0.7
119.04945	1.4
127.03918	0.6
136.07658	0.5
137.39565	0.5
147.04414	1.5
190.29477	0.5
201.00757	0.6
208.04875	0.6
211.49529	0.5
219.01881	0.9
220.06433	0.7
237.02846	1.3
285.08893	0.6
343.65625	0.5
381.11609	100.0
382.12122	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	381.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67902	1.6
56.96558	5.3
60.04516	2.7
67.05501	2.2
69.03433	2.2
69.07076	7.2
69.17281	17.2
70.06583	4.4
71.13290	1.5
72.08154	2.4
81.07056	3.8
84.04498	2.6
84.54656	1.3
84.99324	1.6
85.02894	3.4
86.09689	3.4
86.68517	1.5
91.05481	4.5
95.04956	2.4
97.06516	4.7
98.20724	3.4
98.97585	7.2
107.08607	2.3
109.06414	1.4
110.97551	1.7
116.98598	2.7
119.08529	2.5
120.08118	1.6
121.10130	2.2
123.11701	1.5
127.03912	1.6
129.06998	1.7
131.08557	1.6
133.10146	3.7
136.06155	1.7
147.11612	1.5
150.06349	1.5
153.82909	1.5
161.01294	1.5
164.07005	1.7
168.06662	2.0
170.05954	2.4
172.07584	3.1
173.07143	3.4
174.05592	4.0
183.09163	3.9
183.57088	1.5
187.08675	3.9
188.07074	3.5
190.08600	1.7
197.07140	2.0
199.05093	2.1
199.08601	2.0
200.07059	1.7
201.06616	3.5
205.09778	2.2
210.07838	2.2
211.08687	9.1
214.08632	2.1
215.08174	17.4
216.06514	1.8
219.01770	2.4
221.07004	2.2
223.08572	1.8
224.05763	2.9
225.06606	3.0
229.06020	2.3
229.09782	6.1
233.09166	3.8
234.71841	1.7
239.08145	34.2
243.07700	25.7
244.06146	2.2
245.09264	3.5
248.05637	2.1
253.06093	3.8
257.09244	15.7
261.08768	8.4
267.07678	100.0
269.08951	1.7
271.07114	4.9
275.10165	4.4
279.09671	1.7
285.08713	74.8
287.10220	3.6
289.08270	13.0
289.11334	3.0
294.13254	3.8
295.07297	9.6
303.09714	11.4
303.13089	3.4
307.09433	2.1
313.08203	75.8
321.10739	10.9
321.14444	5.7
331.09265	92.8
331.12793	4.4
339.11929	17.4
349.10071	2.7
349.13873	6.5
363.11841	11.0
381.08215	2.7
381.12531	21.0
381.15640	4.0
381.17114	3.0
381.20624	2.6
381.27826	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	381.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22008	1.2
55.01867	4.2
55.05515	9.9
56.96558	2.2
57.03431	4.3
57.07071	8.3
61.02896	1.2
65.03941	1.2
67.05518	15.3
69.03415	2.5
69.07084	9.0
70.11486	3.9
71.04998	1.9
71.08640	11.2
75.04463	1.1
76.18006	1.1
79.05502	12.6
81.07066	18.5
83.04987	2.0
83.08620	3.8
85.02914	1.5
85.06547	2.8
86.56973	1.0
91.05490	13.6
93.07052	17.8
95.04967	21.8
95.08617	16.7
97.06544	8.5
98.97636	1.4
99.08110	7.3
105.07030	10.5
107.04996	2.0
107.08597	12.5
109.06525	29.8
109.10172	3.5
111.08122	1.6
117.07037	2.4
119.08587	10.9
121.06509	14.4
121.10175	7.1
123.08099	4.0
123.11732	2.2
129.07043	2.3
131.08557	8.2
133.10146	5.4
135.08049	6.0
135.11685	2.6
137.09642	2.8
139.11223	1.5
143.08627	2.5
145.10187	6.4
147.11700	2.6
149.09654	2.7
149.13295	2.2
154.33076	1.2
155.08684	1.4
157.10172	1.2
159.11699	3.8
161.13298	2.4
163.11224	10.3
165.12767	89.8
171.11642	2.1
173.13289	5.8
177.12778	4.4
179.14359	2.4
181.12273	1.7
181.15965	3.2
181.92575	1.2
183.11655	1.5
187.14833	1.5
191.14328	21.8
197.13309	2.1
201.12843	1.9
205.15933	2.4
221.15599	1.5
223.57893	1.4
229.07570	2.0
243.21144	2.4
261.22153	11.6
267.09061	2.0
271.20605	1.7
274.28015	1.5
285.10092	2.5
289.21646	100.0
290.21991	2.7
291.23236	1.5
307.22641	10.8
363.25589	5.8
381.13574	2.4
381.26428	59.3
382.26718	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.9
55.01871	9.0
55.66462	3.5
57.03429	6.3
61.02914	12.2
62.92723	3.4
69.03433	36.0
70.06593	4.0
70.93024	7.7
71.04979	11.1
73.02908	11.3
77.34642	3.2
79.05480	12.4
79.89841	4.0
81.03416	37.6
81.07059	66.9
85.02906	93.4
86.09708	3.8
87.00840	38.0
97.02895	69.4
98.20844	4.3
99.04442	17.9
99.08079	17.4
105.01864	59.4
109.02901	31.8
115.63051	3.4
117.01844	6.5
127.03919	100.0
145.04953	61.2
159.02921	27.1
221.04785	3.9
223.56053	4.0
231.05063	27.0
249.06059	9.0
358.89484	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	382.1712
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.81886	1.9
57.07089	2.2
59.05012	2.5
67.05502	3.6
68.16442	2.0
69.03442	3.6
69.07057	2.4
70.02936	2.3
71.35105	3.7
71.96962	2.0
72.04513	9.4
73.02936	4.3
74.02433	2.8
76.13631	2.0
81.03447	2.0
84.22298	2.3
85.02907	10.1
85.06562	6.1
86.09744	2.3
90.05563	70.3
95.04930	3.8
97.02907	4.5
98.02419	11.9
98.97625	2.4
103.07578	3.9
116.03462	8.4
118.55525	2.6
120.08127	7.7
124.07638	11.1
135.83321	2.0
142.08664	5.6
176.10812	2.6
184.09778	15.1
185.04228	4.4
202.10745	23.1
207.11276	4.2
210.56387	2.3
218.72995	2.2
220.11835	100.0
221.04185	3.5
221.12737	2.4
276.07520	2.8
335.78348	2.4
383.09555	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	7.1
58.53681	0.4
69.41673	1.8
71.95280	2.4
84.90292	0.4
98.97593	100.0
113.58495	0.4
116.98636	52.5
134.99669	16.9
138.39040	0.3
140.00221	1.0
153.00728	1.0
158.01318	0.7
168.17734	0.4
177.01001	0.6
179.00838	0.3
192.98718	0.6
207.01398	0.5
216.98804	1.0
219.02104	0.7
231.97206	0.4
234.99876	1.4
235.25148	0.3
240.98682	4.5
253.01128	0.4
256.96652	0.4
258.99802	70.2
259.99988	1.6
260.99969	0.7
261.03015	1.2
262.03278	0.4
274.97684	0.5
277.00851	79.7
278.01041	2.3
279.01120	0.4
282.01389	1.9
282.99908	3.4
284.99866	0.7
291.02237	0.7
295.01926	0.7
300.02338	1.9
301.01077	4.4
302.01328	0.5
303.00912	0.4
316.99115	0.6
317.99002	0.6
327.38593	0.3
359.00925	0.7
359.99994	0.6
374.52353	0.4
378.17734	0.8
382.99963	1.7
401.01270	6.0
402.02020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02511	1.2
53.43581	1.1
55.24359	1.0
56.96573	1.7
68.01938	1.0
70.06598	2.6
71.17882	2.1
72.98238	1.2
85.02902	1.3
90.05547	4.0
96.02084	1.0
98.97573	2.5
120.08095	1.6
142.29553	1.2
185.04251	18.1
199.55397	1.2
207.11510	1.4
220.11772	3.3
221.04282	12.2
221.12189	3.6
237.02872	1.4
329.26883	1.3
383.09509	100.0
384.09625	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	383.1129
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
50.50153	0.3
67.01857	0.5
67.05483	1.1
68.99784	0.5
69.07040	0.4
70.13322	1.5
79.05461	1.0
81.07029	0.5
97.06538	2.7
109.10140	0.6
135.04398	1.5
137.02290	0.6
153.01846	5.8
161.02371	1.0
179.03424	0.4
203.03334	2.8
229.04936	3.5
241.04987	0.7
257.04474	31.0
258.05258	11.3
259.05807	0.9
269.04492	0.6
285.03928	0.5
286.01550	0.6
286.04727	14.3
287.05515	48.0
288.05817	1.0
290.84381	0.3
297.04181	0.8
297.07510	0.4
313.07254	0.8
339.08273	0.4
383.11270	100.0
384.11566	2.2
394.49878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.113
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
55.01881	0.5
55.05517	2.4
67.01868	0.5
68.99792	0.8
70.35213	0.4
70.35560	1.1
79.18607	0.3
81.08714	0.4
83.04971	0.3
89.98161	0.3
105.38029	0.3
111.00836	0.6
115.05479	0.7
128.06242	0.5
129.07097	0.4
133.01213	0.3
139.03940	2.5
140.35498	0.4
143.04942	0.8
143.08620	0.5
147.04390	0.8
151.23006	0.3
153.01845	29.1
155.08566	0.9
159.04491	0.6
161.02362	0.7
161.06007	1.3
167.07071	0.5
171.08046	0.8
173.02310	0.4
173.06012	0.5
179.03366	0.5
184.05321	0.4
187.07620	1.7
189.05473	1.3
189.09093	0.4
197.05965	0.6
199.07581	0.4
201.09145	0.5
203.03416	0.7
211.07590	0.9
213.05475	0.5
213.09100	0.7
225.05478	0.6
229.04945	1.2
229.08720	0.5
235.80824	0.3
237.05510	1.7
242.05925	0.4
253.04916	2.2
257.04510	3.5
258.05261	8.0
265.04996	3.8
266.05783	0.5
267.06522	0.9
269.04434	0.7
279.06482	0.4
281.04492	4.3
282.05188	1.5
283.06174	0.5
286.04736	10.9
287.05295	1.7
293.04553	1.1
295.06009	2.4
297.04013	3.1
298.04742	1.1
299.05475	2.8
309.04041	2.1
310.04706	1.8
311.05539	22.5
312.05914	0.6
313.03455	1.9
318.09021	0.3
323.05533	7.7
324.06137	0.4
327.05154	2.1
332.06900	0.4
339.08728	2.5
353.10211	0.6
355.11792	5.7
365.10339	1.0
383.11292	100.0
384.11664	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	383.1129
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
59.14953	0.3
67.05515	3.0
79.05497	0.4
81.07109	0.4
81.31470	0.4
91.05512	0.4
105.07023	0.7
109.10168	1.7
129.07088	0.4
136.89293	0.4
153.01833	4.6
163.04037	0.4
173.11665	0.5
179.31992	0.4
203.03368	1.5
229.05013	1.2
243.06607	0.8
244.00577	0.4
257.04498	5.8
258.05286	4.5
271.06076	6.4
272.06848	2.5
285.03983	1.1
286.04742	7.9
287.05521	7.9
293.08044	1.4
295.06110	0.8
296.06815	0.4
299.05539	11.1
300.06332	4.5
309.07523	1.5
311.05536	25.0
312.06152	0.5
313.03397	1.2
313.07077	1.3
321.07571	2.3
322.08444	1.5
324.06305	0.5
325.07071	2.7
337.06964	0.7
337.10614	1.1
339.08609	3.9
349.06891	0.8
350.07889	1.4
353.10229	0.5
355.11777	16.3
356.11978	0.7
363.08655	0.7
365.10239	11.7
371.35458	0.4
383.11292	100.0
384.11606	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	383.1129
Annotation	12-Deoxyaklanonic acid
Peak:m/z	Relative Intensity
52.92471	0.3
56.96564	0.4
60.00018	0.3
67.01853	1.1
68.99772	1.0
69.03429	0.4
70.20834	1.0
79.05473	0.3
92.15536	0.3
95.06884	0.3
98.21385	0.4
111.00783	0.6
122.28816	0.3
139.03954	0.4
141.06996	0.4
141.51801	0.3
147.04399	0.6
152.06209	0.5
153.01846	11.2
155.03406	1.1
155.08551	0.8
173.05997	0.7
174.06839	0.4
178.14178	0.3
183.08031	0.5
185.06113	0.3
186.06827	0.4
187.07550	1.2
189.05479	0.6
201.09132	1.6
202.02681	0.6
203.03490	1.3
210.06680	0.3
213.05472	1.0
223.04114	0.3
225.09135	0.6
229.07484	1.2
229.08900	0.5
237.05453	2.2
241.04999	0.5
242.05779	1.0
243.06583	1.0
247.08569	0.9
252.04121	0.6
253.04964	1.5
253.08775	0.4
254.05724	0.3
255.06552	1.3
265.05023	2.9
269.04517	0.8
279.06662	0.4
280.03586	0.4
281.04514	0.7
282.05261	2.8
283.06061	1.0
287.05695	0.7
293.04599	0.7
293.08215	0.5
295.05960	0.8
297.04016	1.6
298.04736	3.5
299.05502	2.0
308.06744	0.8
310.04752	15.9
311.05527	58.0
312.05954	0.7
323.05545	3.7
323.09103	0.9
324.06369	2.0
325.06949	0.6
326.07874	2.4
327.08774	0.3
337.07068	0.8
337.10626	0.4
339.08664	100.0
340.08948	1.7
365.10315	0.8
383.11276	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	383.1123
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
51.57501	0.1
55.01869	0.4
55.05521	3.6
56.96574	0.8
57.00074	0.1
57.03424	0.2
67.01881	0.8
67.05486	0.3
68.99797	1.3
69.03425	0.6
69.07062	0.3
71.09801	0.3
71.24660	0.1
71.43049	0.1
77.34046	0.1
79.05486	0.2
81.03443	0.1
81.07080	0.3
82.64434	0.1
83.04986	0.4
85.02877	0.2
89.82961	0.1
91.05486	0.4
95.04988	0.1
97.02900	0.4
97.06538	0.3
100.51518	0.1
105.07042	0.4
105.95441	0.1
107.08630	0.2
109.02889	0.2
109.10141	0.2
111.00805	0.5
111.04465	0.2
115.05454	0.9
123.04401	0.3
128.06245	1.1
129.07002	0.5
131.04941	0.3
131.08644	0.2
135.04482	0.2
137.02361	0.1
139.03909	3.8
141.06981	0.5
143.04901	0.8
143.08589	1.4
144.05629	0.1
145.02904	0.1
145.06528	0.3
147.04420	1.3
152.06215	0.2
153.01840	36.9
154.02232	0.3
155.08542	0.8
157.06448	0.4
157.10153	0.5
159.04413	0.5
159.08015	0.2
160.05316	0.3
161.02351	0.8
161.05997	1.6
163.03911	0.4
165.01863	0.2
165.06996	0.5
167.03746	0.2
167.07040	1.4
167.08549	0.5
168.05788	0.3
169.06476	0.4
171.02927	0.4
171.04329	0.3
171.08063	0.7
173.02344	0.2
173.06023	0.7
174.06731	0.2
175.03931	0.7
176.04735	0.2
177.05475	0.2
179.03400	0.4
181.06525	0.3
183.08075	0.5
185.06110	0.3
185.09642	0.4
187.03928	0.3
187.07574	0.6
189.01906	0.1
189.05458	0.6
189.09131	0.7
191.03374	0.3
193.06653	0.2
195.08112	0.5
197.05998	0.6
199.06363	1.0
201.05367	0.2
201.07767	0.3
201.09232	0.5
203.03384	0.7
207.02829	0.3
209.06038	0.5
211.04683	0.1
211.06413	0.5
211.07759	0.4
213.05516	0.4
213.09096	0.6
215.03380	0.3
215.07019	0.3
216.04173	0.2
217.07509	0.6
221.06012	0.4
225.05428	0.6
226.06271	0.2
229.05016	1.7
229.07507	7.6
230.86214	0.2
237.05457	2.2
238.06256	0.2
239.03485	0.3
239.07014	0.6
241.04962	0.3
243.06575	0.4
247.08574	4.0
252.04201	0.3
252.09132	0.7
253.05013	3.0
254.05821	0.3
255.06557	0.2
257.04486	3.6
258.05255	9.1
259.05911	0.2
265.04980	5.0
266.05664	0.6
267.06656	0.9
267.09076	0.2
269.04559	0.9
270.05057	0.2
270.09909	0.2
271.05899	0.9
279.06512	0.2
279.66678	0.2
281.04483	4.9
282.05203	1.5
283.06076	0.5
285.04004	0.7
285.10162	0.2
286.04736	13.5
287.05481	2.1
293.04568	1.5
294.05264	0.9
295.06015	4.1
295.09445	0.3
297.03976	3.5
297.07187	0.2
298.04742	1.3
299.05508	3.9
303.06607	0.3
305.04520	0.3
307.06137	0.3
308.06821	0.3
309.03928	2.5
310.04739	2.3
311.05521	22.7
312.05960	0.6
313.03479	2.5
318.05304	0.2
319.05975	0.2
319.09564	0.4
322.08099	0.2
323.05524	10.1
324.06107	0.4
325.07089	0.6
326.04266	0.3
327.04996	3.0
332.06836	0.3
335.05588	0.3
337.10629	0.3
339.08740	1.2
341.10162	0.4
347.09225	0.4
351.08365	0.2
353.10394	0.9
355.11746	6.8
356.12100	0.2
365.10226	1.8
383.11273	100.0
384.11633	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	383.1126
Annotation	Artonin K
Peak:m/z	Relative Intensity
68.99776	1.6
70.78638	1.8
79.05468	0.6
94.87132	0.6
95.56080	0.6
97.06503	0.6
123.14244	0.6
131.08580	0.7
139.03883	0.7
140.24805	0.6
147.04364	1.5
153.00574	1.1
153.01831	22.3
155.03412	0.8
155.08621	0.7
161.05954	1.8
163.03847	0.8
185.06104	0.6
187.07541	1.9
189.05432	1.8
191.60599	0.7
199.07417	0.8
201.09143	1.8
203.03383	1.7
208.64787	0.6
213.09038	0.7
229.05011	0.7
229.08583	1.3
237.05461	2.1
239.07108	0.8
240.69267	0.7
242.05734	1.1
243.06639	1.0
252.04233	0.7
253.04877	0.9
254.05829	0.7
255.06578	1.1
257.04453	4.7
258.05234	2.1
265.04990	2.8
267.06430	0.8
269.04535	1.4
281.04514	1.4
282.05209	3.3
283.06042	1.9
286.04712	2.5
287.05481	8.4
293.04495	0.7
295.06107	2.3
297.03967	1.4
298.04718	3.1
299.05524	1.3
310.04739	15.9
311.05508	59.5
323.05545	10.9
323.09030	1.1
324.06262	2.3
325.06946	0.8
326.08035	1.1
339.08640	100.0
340.09070	2.3
365.10165	1.0
383.11249	58.9
384.11600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1127
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
54.82432	0.3
67.01865	0.4
67.05492	0.7
68.99764	0.4
70.04328	0.7
70.04697	1.6
79.05506	0.5
81.03395	0.3
93.07068	0.4
97.06524	0.4
98.20801	0.3
109.10190	0.7
119.03497	0.3
129.73288	0.3
135.04396	0.8
153.01826	2.7
184.33058	0.3
203.03432	3.1
229.04915	3.5
242.05859	0.8
257.04459	36.4
258.02505	0.7
258.05246	12.1
259.05878	0.5
269.04620	0.5
270.05124	0.4
285.03738	0.5
286.04718	17.3
287.05511	20.2
297.07538	0.6
304.15280	0.3
313.07129	0.5
383.11261	100.0
384.11499	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	383.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24617	1.7
54.24888	1.7
57.03414	2.0
57.96742	1.8
61.02923	4.0
69.03436	11.0
69.99180	4.1
69.99574	4.4
74.02430	2.5
81.03411	8.4
82.02954	2.4
85.02916	31.8
87.04469	2.2
97.02885	8.0
98.97581	2.1
109.02892	3.9
118.06532	7.8
127.03926	5.9
130.06535	72.4
132.04465	19.9
132.08084	3.8
134.05991	1.9
142.06483	2.8
143.07321	3.5
144.06987	3.4
144.08092	25.7
145.07597	21.0
146.06032	13.6
148.07596	4.8
151.40063	1.8
154.06506	4.2
156.06755	2.8
156.08076	3.5
157.06342	3.3
157.07628	69.4
158.04782	4.2
158.06027	55.9
159.09193	6.7
160.07578	3.3
166.06435	2.7
169.07610	8.0
170.05974	3.1
170.08324	4.4
171.09122	10.6
172.07568	15.0
174.05551	8.4
175.08687	66.1
176.07043	3.7
181.07597	5.6
182.08386	3.6
183.09174	17.2
184.07600	2.9
185.07149	10.8
186.05508	3.6
187.08699	2.8
188.07085	2.6
196.07626	3.0
198.05530	3.1
199.08730	11.8
200.07109	20.5
202.07089	2.3
203.08173	100.0
204.06535	4.9
207.09184	3.8
209.07042	9.7
216.08902	2.7
217.09737	38.8
221.09212	54.6
227.08206	15.3
231.07701	7.2
245.09317	25.3
257.09409	2.1
263.10281	42.3
292.93372	2.3
299.10168	5.0
329.11301	5.0
347.12299	10.7
348.10849	9.1
365.13373	29.6
383.09738	3.0
383.14502	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.0
55.01878	15.3
55.05504	10.5
57.03434	9.8
61.02931	8.1
65.03954	5.6
67.05508	44.3
68.99794	10.1
69.03437	60.5
69.07069	9.0
70.60199	7.7
71.01352	5.7
71.04994	11.2
73.02912	6.0
73.46740	3.7
77.03945	4.4
79.05503	42.4
79.30884	2.9
81.03428	53.9
81.07067	87.5
83.04993	20.9
85.02913	48.4
85.06549	3.4
87.00848	31.5
91.03957	3.5
91.05491	50.7
93.07053	100.0
95.04973	32.2
95.08616	29.4
95.77242	2.6
97.02900	35.4
97.06537	9.2
98.97576	3.0
99.04491	16.6
103.03940	17.1
105.01867	10.5
105.07043	65.5
107.04963	14.6
107.08606	85.3
109.02886	22.3
109.06534	37.3
109.10160	44.2
111.04466	17.6
111.08111	4.5
113.02419	3.6
115.03941	11.6
115.05447	6.0
117.07036	18.2
119.08599	51.5
121.06532	13.9
121.10160	55.1
123.04436	50.8
123.08074	6.7
123.11688	10.4
125.06006	11.7
127.03928	21.4
128.06181	4.7
129.01865	14.5
129.06995	10.5
131.08594	26.0
133.06546	8.3
133.10158	41.8
135.08090	9.4
135.11714	52.9
137.05997	7.2
137.09615	15.5
137.13275	3.6
141.06996	4.6
142.07787	5.1
143.08592	13.4
145.04900	3.9
145.06506	10.1
145.10123	28.5
147.02902	9.6
147.08044	12.3
147.10616	4.7
147.11700	37.9
149.05994	9.5
149.09570	4.4
149.13225	5.9
151.07582	9.5
151.11180	9.2
155.08563	9.1
156.09346	5.2
157.10149	13.9
159.02878	6.1
159.08080	13.4
159.11685	17.2
161.09671	8.2
161.13324	5.9
163.07556	5.2
163.11140	20.3
165.12753	15.0
167.07088	3.8
168.09349	4.5
169.10107	8.2
171.11711	9.7
173.09589	7.6
173.13341	5.1
175.07631	4.5
175.11191	13.7
177.12793	17.4
182.10913	3.7
183.08093	3.0
183.11710	6.1
185.09628	5.3
187.11205	4.1
189.03964	10.9
189.12791	5.1
193.12263	8.1
197.13277	6.8
201.09149	3.2
201.12718	13.9
207.11839	3.3
207.13774	4.0
213.03931	4.2
215.14351	14.4
219.13821	13.5
222.92114	2.8
225.12785	11.8
231.04985	3.5
233.15515	4.1
243.13852	34.9
247.07460	2.9
252.09538	3.6
261.14862	40.4
279.16022	11.2
347.14908	12.3
365.16101	18.4
383.11578	3.5
383.17303	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	383.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	16.4
55.01876	20.4
55.05503	13.5
57.03431	10.2
59.28938	3.2
61.02919	9.5
65.03933	5.5
67.05225	3.0
67.05508	39.8
68.99775	10.7
69.03435	61.1
69.07067	11.2
70.06606	6.3
71.01345	5.9
71.04977	10.1
71.39154	4.2
71.39495	4.2
71.40599	2.9
73.02906	6.8
79.05500	49.5
81.02980	4.6
81.03426	63.9
81.07068	81.4
83.04992	16.6
83.05396	3.0
85.02912	54.2
86.09669	3.1
87.00837	37.6
87.04488	3.7
91.05500	48.0
93.07057	100.0
95.01315	4.3
95.04973	43.6
95.08611	21.5
97.02906	35.7
97.06541	11.3
99.04478	15.2
103.03950	12.6
105.01845	9.0
105.06385	5.0
105.07038	67.7
107.04971	19.8
107.08598	79.4
109.02881	25.2
109.06518	40.9
109.09434	4.9
109.10159	40.7
111.04465	18.5
111.08073	4.5
115.03933	9.4
116.06236	3.8
117.01859	3.1
117.07050	16.7
119.08590	58.5
121.06541	18.1
121.10159	50.5
123.04446	45.4
123.08065	9.5
123.11691	11.3
125.06001	9.2
127.03941	24.5
129.01839	16.3
129.05548	3.5
129.06992	13.3
131.08553	18.2
133.06488	11.8
133.10144	34.9
135.04373	5.6
135.08029	9.0
135.11713	57.5
137.06000	6.4
137.09627	13.0
140.33435	3.6
141.05417	4.7
141.07050	3.0
142.07776	7.0
143.08588	15.4
145.05005	7.3
145.06520	7.9
145.10158	32.1
147.02922	8.2
147.08070	11.3
147.11688	32.3
149.05965	10.1
149.09608	4.7
149.13275	6.0
151.03867	4.6
151.07549	10.3
151.11212	9.3
153.05540	3.7
155.08546	7.2
157.10117	12.6
159.02861	6.8
159.08038	10.5
159.11734	24.1
161.09656	5.6
161.13245	7.9
163.11232	19.9
165.12788	15.8
167.07100	7.1
167.08429	4.0
169.10114	5.3
171.11659	10.8
173.09663	5.4
173.13237	7.4
175.07587	5.8
175.11168	15.3
177.12782	22.1
179.06993	6.7
181.12180	5.9
183.11684	6.6
185.09697	3.4
187.11142	5.8
187.14902	4.0
189.03954	16.9
189.12782	5.7
193.08522	3.3
193.12206	9.2
197.13289	13.3
199.11110	4.1
201.12782	11.1
205.12204	4.8
213.05498	4.0
213.12720	3.5
215.14345	13.3
219.13835	13.4
225.12680	13.3
231.05135	3.9
233.15450	4.4
243.13815	34.9
261.14862	35.6
279.15918	10.2
347.14835	14.4
363.55338	3.0
365.16095	17.5
383.11404	5.7
383.16904	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	383.1969
Annotation	CHEBI:67512
Peak:m/z	Relative Intensity
55.05506	3.9
67.05512	29.8
69.07053	5.1
70.98583	5.7
70.98921	3.2
73.14988	2.7
79.05476	4.5
81.07062	6.0
83.08673	3.5
93.07022	5.5
105.07025	4.0
107.08620	3.3
109.10173	19.3
119.07302	4.3
119.08559	4.1
124.10497	3.0
134.08669	5.9
134.09665	100.0
154.67387	3.1
173.11761	5.7
193.12331	3.4
204.11926	3.0
207.26283	3.0
218.15433	8.1
246.14893	17.1
257.04376	14.3
258.05313	3.9
271.55020	2.7
274.07651	2.9
286.04602	7.8
287.05478	13.5
358.22745	3.2
383.11304	52.8
383.24246	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2586
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.14288	2.9
53.03951	7.8
55.05516	16.8
55.96031	3.0
57.07070	12.0
59.04986	7.7
67.05515	38.8
69.03427	13.7
69.07084	9.4
70.72597	9.7
71.05000	5.5
79.05499	28.3
81.03434	4.4
81.07070	38.9
81.82194	2.9
83.04981	11.3
83.08604	5.3
83.69799	3.4
85.06529	7.8
89.37907	3.1
91.05489	63.0
93.07060	100.0
95.04507	3.3
95.04983	31.3
95.08620	37.9
97.06550	17.9
105.07046	81.0
107.05002	3.2
107.08609	40.4
109.06516	26.4
109.10160	21.6
111.08099	7.9
115.05458	4.9
117.07020	11.8
119.08598	57.9
120.14435	2.8
121.06509	14.9
121.10151	47.2
122.07283	3.6
123.08060	30.2
125.50603	3.5
128.06233	7.2
129.07016	8.1
130.07817	6.0
131.08592	34.1
133.06497	10.5
133.10149	32.1
135.08066	30.3
137.09633	11.0
141.06998	6.1
142.07785	22.2
143.08604	25.4
144.09337	6.3
145.10144	42.9
146.07213	5.9
147.08060	25.0
147.11688	15.0
149.09662	28.0
151.07547	32.0
153.09087	4.6
155.08591	10.0
156.09358	8.4
157.10139	51.1
158.10846	4.8
159.08026	8.2
159.11758	17.6
160.08800	3.8
161.09644	17.4
161.13239	6.9
163.11194	7.7
165.09120	38.0
169.10136	7.8
170.10944	7.8
171.11722	11.4
173.09666	10.6
173.13292	6.9
175.11172	21.6
175.14873	7.1
177.09094	10.7
181.10223	4.4
181.12279	4.4
182.10886	3.9
183.11754	9.7
185.13281	17.5
187.11166	8.3
187.14871	4.7
189.12750	8.9
193.10153	3.9
194.10809	4.3
197.13211	5.7
199.11179	4.8
200.11914	4.3
201.12753	10.1
203.14349	32.2
207.11909	4.4
207.13844	10.6
209.13326	6.3
209.15289	5.6
211.11084	4.9
213.12720	6.9
215.14360	16.6
216.14967	3.8
219.13776	8.9
221.13385	4.8
221.15384	63.3
223.14754	4.8
225.16457	4.0
227.14351	7.7
231.13739	5.7
233.15453	7.8
234.16150	14.6
247.17027	4.2
261.71021	3.3
271.17044	4.1
286.19327	7.9
287.20007	10.3
303.19406	9.1
365.24750	13.8
383.25848	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.30106	2.8
53.03934	6.2
55.01860	3.6
55.05507	13.3
56.96550	10.5
57.07065	9.4
59.04982	6.4
65.03958	4.0
67.05210	3.4
67.05512	33.8
69.03423	14.8
69.07061	9.5
69.29050	8.7
69.29464	20.2
70.98116	14.9
71.04988	7.5
79.05497	37.1
81.07065	33.4
83.04986	10.7
83.08609	3.5
85.06537	5.8
91.05490	47.8
93.06477	5.5
93.07053	100.0
93.85905	3.0
95.05001	26.5
95.08604	33.1
97.06541	9.4
105.07038	79.9
107.08607	52.3
109.06541	28.5
109.10171	20.2
111.08077	12.7
115.05445	3.5
117.07014	12.5
118.80089	3.2
119.08598	61.5
121.06543	17.1
121.10152	52.1
123.08078	30.8
123.11710	2.9
125.05926	3.2
128.06229	8.6
129.06982	9.2
131.08589	26.9
133.06505	10.7
133.10126	32.9
135.08078	26.4
135.11655	7.4
137.06013	5.0
137.09589	11.6
141.06978	8.2
142.07802	21.5
143.08585	26.7
144.09264	4.5
145.06512	4.5
145.10149	32.8
147.08063	21.8
147.11693	17.8
148.08852	4.7
149.09637	22.7
151.07553	38.5
153.08987	4.0
155.08478	5.2
156.09341	12.9
157.10155	40.4
159.08076	8.7
159.11708	16.9
160.08838	5.1
161.09671	19.7
161.13281	11.1
163.11082	6.8
165.09138	41.4
169.10100	8.4
170.10892	7.6
171.03256	5.0
171.11688	7.1
173.09639	12.4
173.13248	9.1
175.11208	25.0
175.14822	8.9
177.09106	14.2
183.11723	7.7
185.13345	23.1
187.11140	3.9
187.14941	5.0
189.12711	9.6
191.14406	3.5
195.11716	5.1
197.09631	11.9
197.13359	4.4
199.11182	6.1
201.12685	7.9
203.14346	28.4
207.11938	4.1
207.13860	12.0
209.13330	5.2
209.15376	7.1
213.12849	4.5
215.14369	5.2
219.13750	6.6
221.15385	76.5
227.14433	4.3
231.13878	4.0
233.15344	8.1
234.16168	13.9
243.13644	3.4
281.18976	3.8
286.19171	8.6
287.20074	7.5
299.20010	5.4
303.19534	10.7
322.59000	4.3
323.09653	4.2
323.59265	7.4
347.23917	4.4
359.60992	9.5
360.10678	12.1
360.60464	4.2
365.24750	12.5
371.61902	3.2
383.25879	82.8
384.14685	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	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.05519	13.5
57.03431	2.7
57.07070	8.6
58.17059	2.3
59.05004	4.7
65.03934	2.6
67.05512	30.5
69.03442	17.4
69.07062	9.3
69.72651	6.0
69.73041	7.0
71.04996	4.8
79.05500	30.7
81.07057	31.5
83.04964	7.8
85.06549	3.7
91.05487	47.9
93.06474	5.5
93.07055	100.0
95.04981	26.6
95.08623	35.5
97.02915	3.2
97.06525	11.7
103.05459	3.7
104.52155	2.3
105.04567	2.8
105.07039	71.3
107.07955	4.0
107.08606	42.4
109.06535	22.9
109.10160	15.9
111.08088	9.7
115.05473	5.6
117.07021	11.3
119.07792	4.6
119.08586	56.8
120.09402	2.5
121.06477	16.0
121.10146	48.9
123.08072	25.8
123.11736	2.9
128.06235	7.1
129.06985	9.4
130.07823	2.6
131.08571	25.9
133.06500	11.7
133.10152	23.1
135.08090	27.8
135.11713	4.6
137.05975	3.5
137.09641	10.5
141.07022	3.8
142.07780	22.3
143.08568	16.1
144.09360	4.7
145.10149	33.6
146.07236	2.9
147.08095	26.4
147.11697	14.5
148.08783	3.2
149.09639	30.1
150.10306	2.6
151.07536	35.0
153.09087	2.9
155.08534	6.6
156.09364	6.0
157.10158	33.8
158.10864	2.9
159.08067	9.1
159.11752	16.0
160.08862	4.2
161.09653	14.8
161.13242	6.8
163.11171	8.4
165.09143	39.0
169.10133	5.8
170.10867	4.9
171.11667	7.8
173.09654	9.6
173.13245	10.7
175.11179	20.2
175.14832	8.8
177.09085	12.0
178.09930	3.2
181.10217	4.1
183.11688	5.8
185.13263	14.7
187.11212	5.6
187.14899	3.4
189.12802	13.5
195.11745	4.5
197.13203	4.2
199.11256	3.1
201.12790	11.9
203.14330	27.3
207.13823	10.9
208.12440	3.1
209.13379	5.0
209.15408	5.7
213.12694	5.4
215.14272	6.0
216.15199	3.5
219.13818	9.1
221.13560	2.6
221.15375	68.4
223.14772	2.8
231.13818	5.7
233.15395	6.4
234.16136	19.8
234.50812	2.6
237.14783	3.8
243.13821	4.5
265.15622	4.7
269.12476	3.3
286.19290	6.1
287.20004	8.3
299.20004	2.6
300.21307	2.5
303.19534	9.6
365.24838	10.6
383.11801	3.8
383.25830	68.0
384.26282	4.2
393.37735	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.05523	19.7
57.07075	13.2
57.09195	3.7
59.05009	8.0
63.20928	3.1
67.05511	55.2
69.03436	16.2
69.07075	12.6
70.20155	6.3
70.20550	7.3
71.05003	7.6
72.29955	3.0
73.35432	2.8
79.05497	30.3
81.07069	39.6
83.04987	10.4
83.08641	4.9
85.06560	5.7
91.05496	49.4
93.07052	100.0
95.04975	28.2
95.08616	40.1
97.06544	11.9
98.21519	4.0
103.05531	3.7
105.04539	4.0
105.07046	81.0
107.04988	4.6
107.08601	51.1
109.06528	23.8
109.10155	42.7
111.08098	12.5
117.07028	16.8
119.08599	57.2
120.09403	4.4
121.06525	13.0
121.10147	52.1
123.08092	27.2
128.06242	9.3
129.07045	14.8
131.08575	25.7
133.06494	12.3
133.10135	39.0
135.08070	23.8
135.11720	4.5
137.09653	12.4
142.07768	19.9
143.08572	23.3
144.09433	4.2
145.10109	39.7
147.08063	28.5
147.11711	19.5
148.08846	4.0
149.09639	25.9
151.07561	42.1
153.09242	3.9
155.08588	11.5
156.09366	9.0
157.10141	41.2
159.08075	7.2
159.11713	17.4
161.09621	26.5
161.13258	6.7
163.11255	7.6
165.09134	41.6
165.38611	3.9
169.10127	7.6
171.11720	9.5
173.09673	7.7
173.11823	7.5
173.13286	10.2
175.11206	29.0
175.14844	9.0
177.09108	10.1
182.69882	3.1
183.11758	9.0
185.13295	11.6
187.14838	6.1
189.12775	12.7
191.14299	5.1
194.10947	4.7
195.11739	7.1
197.13368	6.5
199.11238	3.8
201.12762	8.9
203.14348	26.2
207.13844	12.1
209.13368	4.8
209.15405	8.8
213.12811	4.3
215.14339	12.6
219.13869	6.2
221.15388	82.8
223.89998	3.3
225.12854	3.9
227.14326	4.3
231.13844	5.6
233.15495	4.9
234.16200	10.0
281.19238	4.3
286.19162	6.3
287.05612	4.3
287.20065	7.9
299.20132	6.8
303.19577	8.1
309.18430	4.8
327.14087	4.7
347.23907	6.2
365.24741	13.0
383.11380	10.8
383.20407	50.7
383.25769	81.5
384.25949	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	384.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63117	0.7
51.94709	0.6
56.96576	1.9
62.38579	0.7
69.03428	1.5
70.06601	100.0
71.54734	0.7
71.55209	1.1
72.08184	0.8
76.12011	0.6
81.03400	0.7
81.07079	0.9
83.06129	0.8
84.04525	1.5
84.08170	1.5
85.02924	2.8
86.06767	0.7
86.09712	0.7
87.28675	0.7
89.03965	0.8
91.05533	0.9
97.02905	0.7
98.97617	1.9
105.03432	2.2
107.49694	0.7
109.02875	0.9
110.07153	3.3
112.07620	78.1
116.07117	1.3
117.03416	0.9
120.08109	0.7
127.03955	0.7
135.04410	1.0
137.06013	0.7
140.07085	43.2
148.80243	0.7
154.23964	0.8
156.07779	1.2
157.09755	3.8
158.99750	0.7
159.98079	0.7
163.03928	5.1
182.08179	1.7
197.64972	0.7
219.01883	0.9
235.97588	0.7
237.02859	0.8
245.11424	1.1
338.17209	0.8
367.13092	0.8
384.16754	0.8
384.21466	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	7.3
56.05037	14.3
61.01146	7.9
61.02903	6.5
66.45742	5.3
69.03429	31.9
70.06583	24.6
71.08656	8.8
72.08146	8.2
73.02875	7.1
73.62640	5.6
74.66396	5.2
81.03409	21.7
84.04485	8.3
84.08131	17.0
85.02906	100.0
86.09706	19.6
87.00827	55.6
91.05509	6.9
97.02926	31.2
99.04455	11.0
104.05332	10.2
105.01872	67.8
107.68826	5.7
109.02901	29.5
120.08062	13.3
127.03943	74.5
144.54494	6.3
145.04979	21.7
149.03496	6.2
159.02869	9.5
167.07097	7.8
201.05521	16.2
227.12808	7.1
231.04999	25.5
237.59607	6.8
241.97639	6.5
249.06345	7.6
293.07980	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	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68637	3.1
53.03956	3.4
55.01881	4.3
56.96563	6.3
62.34561	3.3
69.03439	6.7
70.06602	21.5
71.54904	5.1
72.08166	4.5
79.05502	7.3
81.03417	4.4
84.08148	4.4
85.02917	10.3
95.01349	3.4
95.04938	3.4
97.02892	7.7
98.97591	6.6
103.05437	5.5
105.07053	63.6
109.02895	4.9
109.06745	3.0
111.63303	3.3
115.05454	15.7
117.07057	3.9
118.04157	6.6
123.04394	6.2
125.05919	3.2
129.12634	3.3
131.04947	8.6
133.06519	64.5
135.06699	4.7
136.06230	6.8
140.04640	3.6
145.06511	5.3
151.03922	12.1
153.07820	3.8
155.07043	7.7
160.05161	4.3
161.05998	100.0
162.07822	7.4
167.07060	31.1
172.20473	4.3
173.06027	3.6
186.62982	3.4
191.78571	4.1
193.08638	71.1
203.06952	4.1
205.08655	4.3
207.06606	10.7
208.95296	4.1
219.01846	4.2
219.06570	4.9
229.05034	4.2
231.06512	6.4
233.04431	5.9
233.08070	4.0
234.99078	4.2
237.02867	4.8
251.09138	27.3
252.07364	7.2
253.07512	22.7
261.07614	14.7
269.12427	4.2
286.15216	4.3
289.07068	3.9
385.02420	5.9
385.11203	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	385.1284
Annotation	1,3-O-di-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
52.06591	2.5
54.57645	2.2
55.05502	10.3
67.01858	3.7
67.05506	12.0
68.99787	3.3
69.03429	7.0
69.07059	7.9
69.66387	13.6
74.10599	2.1
74.45882	2.2
79.05511	14.7
81.03425	8.4
81.07079	18.7
83.04973	5.4
83.08643	2.6
85.02908	3.9
87.65882	2.7
91.05496	20.6
93.07050	11.1
95.04975	5.1
95.08593	7.8
97.06531	15.4
99.04498	3.0
105.07040	9.8
107.04946	6.8
107.08630	5.8
109.02881	2.7
117.07048	2.4
119.04987	13.7
119.08611	6.8
121.06548	3.4
121.10164	3.7
123.81788	2.5
128.06148	2.7
129.07033	4.6
131.04970	3.0
131.08563	2.5
133.10188	3.1
135.08086	3.8
145.06578	3.2
147.04424	62.1
147.08112	3.2
147.11650	3.8
149.02368	2.8
153.01846	56.2
154.02170	5.9
155.02304	2.6
155.08636	3.0
161.06056	3.6
167.92072	2.6
171.02937	10.4
173.05998	3.5
175.11258	3.2
179.03432	4.0
181.10063	3.3
183.07988	2.9
193.04919	3.9
193.12285	17.8
213.09261	2.6
217.04999	3.7
221.08122	5.8
244.85037	2.3
257.04636	4.3
258.04999	6.0
259.04993	14.8
259.09622	4.1
287.05478	5.1
288.05673	9.6
289.06158	13.0
312.05624	3.4
313.06171	9.6
329.14114	3.0
341.09848	3.1
341.51114	3.5
355.24457	2.4
367.11734	2.6
367.22589	14.1
385.12054	100.0
385.16052	3.6
385.23663	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	1,3-O-di-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
50.31661	2.1
55.30200	2.2
57.04516	2.4
70.98843	2.6
77.84293	2.0
81.07059	7.8
85.02895	3.0
91.05492	17.6
100.18441	2.1
119.04958	30.8
145.96771	2.1
147.04428	100.0
153.01776	2.7
155.06453	2.0
182.56778	2.1
204.46786	2.1
221.08122	12.1
283.53406	2.5
385.11865	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	385.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46167	1.5
53.00313	9.8
53.51148	1.1
55.01886	1.8
57.03445	48.8
66.15382	1.5
67.05501	2.3
69.03423	2.4
70.06599	7.3
71.01376	6.1
71.54718	1.6
71.55167	1.4
72.08147	2.4
75.04495	3.1
79.05504	2.5
84.08131	3.0
85.02912	4.0
86.09711	4.6
87.00806	2.2
88.94394	1.1
90.86872	1.2
91.05485	4.8
93.07059	1.4
95.04966	1.9
95.08583	1.4
97.02859	1.7
97.06546	1.8
99.00829	73.4
103.03951	1.8
105.06987	2.5
107.04979	9.0
107.08539	1.5
110.07205	2.1
115.05415	2.1
117.01886	7.8
119.04967	1.7
120.08129	1.7
121.02874	2.2
121.06507	1.8
123.04439	1.6
127.03915	2.2
129.10304	1.4
131.04930	5.9
137.05974	3.0
137.09711	1.3
145.06462	3.3
147.04402	1.5
149.06126	1.3
151.03891	2.3
163.03857	1.6
167.07066	7.6
173.04491	100.0
173.05884	4.9
186.03047	1.8
201.05505	24.9
205.12064	1.4
213.05505	1.7
219.08115	2.3
223.07640	3.3
223.13380	1.6
225.09204	2.0
229.12180	2.7
231.06479	3.6
234.06743	2.0
237.09160	4.0
249.09352	1.3
263.06989	1.9
265.08658	3.1
273.86981	1.5
293.08209	3.3
341.13870	2.4
350.14001	1.8
353.10178	2.0
385.13452	4.7
385.18341	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	385.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.5
57.07064	11.5
65.36644	5.8
67.05492	26.3
69.03403	6.8
69.96735	27.4
71.04969	10.3
79.05480	16.1
81.07047	28.1
83.04956	10.2
83.08611	12.9
84.08146	69.0
85.06538	18.7
91.05473	38.2
93.07047	36.8
95.04955	15.9
95.08620	34.5
97.06519	17.2
104.56184	6.4
105.07051	40.1
107.08595	58.7
109.06511	25.0
109.10155	18.6
111.08026	15.2
113.09644	8.3
117.07022	17.5
119.08583	52.8
121.06499	10.5
121.10158	16.5
123.08077	45.9
125.09621	11.3
128.06125	7.1
129.06996	9.8
131.08594	48.8
133.06441	9.9
133.10141	23.5
135.08052	17.2
135.11711	26.8
137.05991	29.1
137.09543	9.2
142.07796	7.6
143.08574	15.4
144.09261	11.5
145.06461	7.8
145.10149	49.9
147.08096	15.1
149.02394	7.8
149.09593	16.3
151.06410	9.9
151.07527	78.4
153.09100	7.7
157.10101	8.0
157.73190	6.6
159.08043	31.7
159.11697	38.6
160.08736	6.1
161.05998	8.0
161.09554	10.9
163.11197	31.6
165.09129	19.6
169.10207	8.2
171.11670	13.7
172.08815	12.1
173.05995	28.5
175.11284	11.0
177.09119	23.6
177.12729	21.8
185.13277	8.1
187.11195	39.3
189.12692	24.9
192.33475	6.4
197.13387	8.1
199.11162	12.1
201.05531	13.9
203.14262	7.3
205.12280	78.1
217.04951	100.0
221.15399	10.1
223.14822	8.5
229.12343	6.9
233.15208	8.5
246.16106	9.9
283.16718	7.3
286.19260	18.5
311.12653	11.0
329.13855	55.3
367.22635	11.7
385.16464	61.0
385.23532	94.0
385.26917	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	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.5
55.01871	8.4
55.05507	15.9
57.03424	3.3
57.07067	4.8
59.04995	3.5
67.05508	31.4
69.03439	8.2
69.07074	14.8
69.84387	19.6
71.08623	13.5
72.08678	3.9
74.42338	3.1
76.98396	3.2
79.05506	17.2
81.03418	4.6
81.07062	35.1
81.42074	3.5
83.04977	7.9
83.08638	4.0
83.31287	3.8
85.06533	10.1
87.94704	3.1
88.25116	3.2
91.05498	24.9
93.07060	33.0
93.60402	3.5
95.04977	14.7
95.08617	25.7
97.02897	19.2
97.06564	16.6
97.10202	6.9
99.08089	12.3
99.24229	3.4
105.07037	23.7
107.08614	18.3
109.06543	23.4
109.10146	14.2
111.04477	18.8
111.08068	6.8
111.31900	3.4
113.05999	5.9
117.06982	7.0
119.08579	18.5
121.06535	18.6
121.10148	16.3
123.04421	12.2
123.08093	9.3
123.11720	6.1
124.05234	4.4
125.09621	4.9
131.08546	23.8
133.10124	8.0
133.94943	3.2
135.08080	7.1
137.05980	8.3
137.09572	4.4
145.10172	7.9
147.08043	6.4
147.11694	6.0
149.02350	6.2
149.09641	20.4
151.07581	6.3
151.11198	7.2
157.10103	4.0
159.11665	5.6
161.09679	3.7
165.09117	3.6
165.12769	15.1
167.10765	5.8
173.13171	4.9
175.11221	4.5
179.14200	4.1
181.06381	3.4
181.12253	100.0
189.12782	5.9
193.04958	7.7
254.28860	3.5
289.21622	13.8
293.21078	15.2
305.21158	23.0
341.06210	3.7
351.25357	67.7
367.24823	4.6
385.23871	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	387.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	25.7
63.47167	1.8
67.05479	2.6
69.07066	2.2
70.06601	3.5
70.82872	2.1
70.83215	4.9
71.61542	2.0
79.05496	3.4
81.07052	2.1
84.04517	3.0
84.96059	14.4
85.02917	4.6
86.09710	7.4
87.89047	1.9
91.05506	2.2
94.70441	1.8
98.97590	78.3
105.03451	2.4
105.07038	3.2
107.04956	2.6
110.97569	25.3
112.99164	4.7
116.98645	25.4
117.22809	1.9
120.08111	2.9
122.03610	4.0
124.99132	3.6
126.97060	3.0
127.03947	2.3
128.98631	16.3
131.00180	3.6
134.99666	4.2
137.05989	29.3
138.06271	1.8
140.98616	7.6
143.00124	9.4
144.98065	5.8
145.06491	3.2
146.99637	4.9
151.03922	2.8
151.76682	2.0
152.98622	6.4
154.02789	1.9
158.99660	16.6
161.01227	6.4
162.99181	2.7
165.11189	1.9
165.12737	2.0
167.07072	13.5
170.99666	7.6
173.01234	3.2
173.06061	2.0
177.00751	14.4
177.05487	2.0
181.05011	9.9
182.99706	3.1
189.00734	3.8
199.06458	5.8
201.00764	8.1
207.13872	5.2
213.07678	2.5
219.01794	32.6
237.02861	37.4
237.79880	2.0
241.07588	3.6
283.13159	2.4
301.09595	70.1
319.10660	100.0
342.12308	6.0
343.10654	16.3
357.13354	5.3
361.11618	10.0
369.13275	2.7
387.10379	6.7
387.14392	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	387.1441
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
53.03942	0.8
55.01853	1.0
55.05478	0.5
56.96567	0.4
57.03432	0.8
65.03929	1.3
67.05492	1.3
69.03431	0.8
69.07059	0.9
70.06583	0.5
71.55143	0.5
72.11165	0.4
78.04756	0.5
78.88412	0.4
79.05498	2.5
81.03415	0.6
81.07063	0.7
83.05005	0.8
84.04495	0.8
85.02898	2.0
86.09692	2.7
91.05485	1.6
94.04212	2.8
95.04975	2.4
97.02895	0.4
97.06577	2.4
98.97561	0.5
103.05470	1.5
105.03397	0.5
105.07034	1.6
107.04994	1.1
109.06488	0.7
110.03641	0.7
115.05470	2.6
117.07027	1.8
119.04918	0.5
119.08549	0.5
121.06511	0.4
121.10136	0.6
122.03649	8.5
123.04424	1.7
125.05919	0.7
127.03967	0.7
129.06972	0.9
131.04933	1.4
133.02936	0.5
133.06526	0.7
137.05984	100.0
138.03003	0.7
138.06334	1.1
142.02711	0.5
143.04918	3.4
143.08546	0.5
145.06473	3.0
146.11800	0.8
147.04388	0.4
147.08022	0.8
149.05980	0.5
151.03912	3.1
151.05000	0.5
153.05495	0.6
155.06058	1.0
157.06508	0.6
159.08043	0.8
161.05960	3.2
161.09654	0.5
163.03941	0.6
165.06920	0.6
167.07048	11.1
167.08440	0.9
171.06615	0.6
173.06027	3.3
175.07582	1.4
177.05516	0.5
180.04234	1.0
181.04971	15.5
181.06366	0.7
183.06554	0.6
187.07538	1.8
189.05528	0.6
191.06987	0.7
191.08629	0.7
192.22380	0.5
195.08018	1.1
196.14537	0.5
197.06075	0.6
197.09645	0.5
201.05334	0.5
203.07059	1.8
205.08594	2.5
206.22754	0.4
207.13805	0.7
211.07710	0.6
211.11134	0.5
212.08403	0.8
213.09030	0.5
215.07121	1.5
219.08095	0.8
221.08020	0.5
223.07607	0.4
227.06851	0.5
227.10654	0.8
233.08125	1.5
234.06955	0.5
235.09612	2.3
237.09081	0.5
238.09944	0.6
239.06979	0.7
239.10786	0.6
241.08438	0.7
241.12262	0.7
249.09157	1.0
251.06972	0.6
255.13756	0.6
257.08121	0.9
265.12268	1.1
267.13739	0.6
269.11740	0.6
277.08652	0.4
279.10269	0.6
283.13348	1.7
288.13498	1.2
291.13843	0.6
293.11786	0.6
295.06076	1.4
309.11594	0.5
309.14886	0.9
311.12912	1.4
313.10696	0.6
327.15924	1.0
339.12357	0.6
343.14938	0.5
355.11826	0.6
355.15460	1.1
357.13358	12.5
357.17563	0.9
387.14429	25.6
387.18362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.01601	0.6
52.91814	0.4
53.03944	0.7
55.01862	2.0
55.05508	1.0
57.03434	0.5
59.32930	0.5
59.50307	0.5
65.03935	2.2
66.41419	0.5
67.05501	1.3
69.03419	1.5
69.07071	0.8
69.93520	0.5
70.93750	1.4
79.05495	1.7
81.07050	1.4
83.08588	0.6
85.02900	2.9
91.05483	2.3
93.03410	0.7
94.04192	3.6
95.04973	1.9
97.06559	3.4
98.97598	0.7
103.05489	3.6
105.03391	0.5
107.04943	2.3
109.02872	1.0
109.06509	0.8
111.94688	0.6
112.62493	0.5
115.05460	2.4
117.07024	2.5
118.04156	1.2
122.03662	9.3
123.04466	1.3
124.05344	0.5
125.05995	1.2
127.03933	0.7
131.04926	3.1
131.47473	0.5
133.02808	0.5
133.06480	1.2
135.04372	0.5
137.05984	100.0
138.06320	1.0
141.05453	0.7
142.02553	0.7
143.04953	3.3
145.06488	2.6
148.05196	2.4
151.03923	10.8
151.05055	1.0
153.05501	0.7
155.06021	1.0
157.06473	0.7
161.06056	0.6
163.03987	0.6
163.07567	2.7
165.05502	0.7
167.07057	14.0
167.08412	0.5
173.05994	3.8
175.07561	1.6
176.04680	0.6
181.04973	24.0
187.07567	1.2
191.07030	10.9
191.08498	0.7
195.08081	0.6
203.07083	2.5
205.06679	0.7
205.08496	2.6
213.09053	0.6
215.07051	1.1
218.07341	0.7
219.08119	1.2
223.07538	0.7
227.10773	0.7
227.66678	0.5
233.08179	1.6
234.06859	1.0
235.07651	0.9
235.09703	2.8
237.09163	0.7
241.08554	0.7
247.07597	1.0
248.08392	1.0
249.09116	1.2
259.09598	0.6
264.07977	1.0
265.08762	1.0
265.12347	1.5
267.10364	0.5
269.11539	0.6
278.09811	0.6
281.11777	0.8
283.13327	1.5
288.13657	0.7
291.10077	0.7
293.11679	1.4
307.09619	0.6
309.11392	0.7
311.12802	1.6
313.10730	0.7
337.10712	0.8
339.12247	0.7
341.13617	0.7
351.12360	0.7
354.10358	0.6
355.11624	1.4
355.15518	1.2
357.13336	11.6
369.13455	1.8
387.14435	29.4
387.18369	1.0
388.14819	0.8
414.01495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.05491	6.6
56.05020	5.2
56.96575	6.9
57.03429	6.9
57.07072	15.4
59.11679	3.8
61.02914	11.2
65.03928	4.9
67.05507	12.3
69.03435	24.1
69.07065	9.8
70.06249	4.8
70.06601	64.0
71.04993	5.4
71.05745	8.6
71.06918	8.2
72.08169	29.3
73.02937	5.7
74.06063	3.5
79.05493	13.7
81.03416	10.7
81.07080	20.1
81.07448	3.9
83.04988	5.9
83.08605	5.4
84.04512	26.9
84.08154	17.0
85.02920	52.8
85.06538	23.8
86.09720	34.3
91.05469	13.6
93.07088	17.9
95.04976	9.5
95.08624	21.4
97.02896	21.8
97.06545	6.5
98.97570	12.8
99.04456	7.5
99.08067	7.3
103.05486	4.3
105.03381	8.1
105.07034	17.8
107.04983	7.2
107.08593	11.4
109.02894	9.1
109.06531	9.4
111.04427	6.4
112.07619	17.8
113.06028	19.4
113.07922	10.2
116.98621	4.3
117.07018	3.8
119.08590	33.9
121.06535	4.4
121.10163	88.0
123.04414	5.1
123.08081	24.8
127.03916	16.3
127.07578	10.2
129.10216	10.3
131.08606	8.8
132.98169	3.3
133.06531	4.1
133.10106	7.6
135.08031	6.5
137.05995	7.2
137.09583	3.6
137.13266	6.9
139.03899	4.3
140.07047	16.0
141.07401	8.8
145.05011	9.9
145.06453	6.9
147.11684	7.4
149.09669	17.0
151.07544	17.7
161.13274	29.5
163.11209	43.0
165.12753	15.9
167.07109	20.7
171.11737	9.4
173.06013	4.7
177.00673	3.6
179.14334	52.9
181.05009	8.9
181.12302	4.3
186.24312	3.4
189.12758	28.0
199.14398	4.8
201.05560	7.6
203.05362	4.6
203.07144	3.7
207.13834	99.1
219.01727	6.0
225.14864	55.4
226.07890	11.9
233.08058	9.9
237.02711	5.0
284.08911	4.3
301.12659	6.4
343.13644	39.5
355.12079	4.9
387.12503	74.3
387.16269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2018
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
52.51789	9.7
53.03964	13.3
55.05510	17.6
56.96575	23.6
57.03438	12.8
66.57037	9.9
67.05509	28.2
69.03441	23.9
69.07069	13.9
69.53657	20.3
69.54067	54.5
70.06593	72.3
72.08170	35.6
79.05502	31.9
79.53315	9.2
81.03430	10.9
81.07066	13.1
83.04972	16.4
84.04530	37.5
84.08142	100.0
85.02901	38.4
86.09711	78.3
91.05502	30.2
93.07037	24.2
95.04973	28.3
95.08634	80.2
97.02926	21.1
97.06575	10.1
98.97571	22.2
101.00927	8.5
101.07131	10.5
102.05551	12.4
103.05496	19.6
105.03390	14.2
105.07053	28.1
107.04942	16.8
107.08598	22.2
109.02895	27.0
109.06613	11.5
112.18694	9.1
116.98653	11.4
119.08591	28.9
121.06500	11.2
121.10178	9.0
123.04447	9.2
123.08078	33.9
123.11548	9.4
126.05493	17.7
127.03960	19.8
127.12414	10.1
129.10254	22.1
131.04982	8.6
131.08563	16.9
133.06473	16.1
135.08069	16.1
137.06010	43.9
144.06683	10.9
147.04411	26.1
147.11707	11.9
149.09706	12.7
151.07602	9.1
158.99733	10.8
161.06059	11.7
161.09236	13.0
163.11224	15.0
167.03369	13.0
167.07043	69.8
177.05516	12.6
181.05000	23.0
204.08585	12.6
207.06635	12.0
207.13771	68.6
219.01875	11.3
222.75055	9.8
225.14908	11.5
231.08000	11.8
233.08257	12.9
289.05310	20.4
343.13763	55.2
387.12650	82.6
387.16278	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
53.16708	2.5
55.01868	4.5
55.05500	5.6
55.98259	2.3
56.05035	6.0
56.96558	6.7
57.03429	5.3
57.07085	16.3
58.69476	2.3
59.64821	2.2
60.04519	3.8
61.02925	2.9
64.81358	2.3
65.03967	3.0
67.05520	13.4
69.03439	19.9
69.07059	6.8
69.85501	8.9
69.85921	5.8
70.02921	3.2
70.06259	3.5
70.06601	57.5
71.04959	6.6
71.06274	2.3
71.06920	9.5
72.08160	28.1
73.02914	3.6
74.06076	3.1
79.05505	8.2
81.03400	10.2
81.07073	21.3
83.04975	4.3
83.08646	2.8
84.04514	21.9
84.08154	31.6
85.02431	3.2
85.02917	44.8
85.06136	2.5
85.06557	23.5
86.09711	22.3
88.03988	4.2
91.05473	8.1
93.07082	18.5
93.07589	4.4
95.04975	7.0
95.08632	16.4
97.02906	19.0
97.06525	5.6
98.97591	15.1
99.04446	7.0
99.08113	7.0
102.05544	3.9
103.05435	4.0
105.03407	8.2
105.07043	22.4
107.04950	6.7
107.08591	11.2
109.02878	9.1
109.06512	7.2
111.08089	2.9
112.07608	16.4
113.06047	18.7
113.07955	7.6
113.09620	3.0
116.07101	4.0
116.98632	4.5
117.03339	2.4
118.31500	2.2
119.08572	31.3
121.06549	2.8
121.09317	4.9
121.10162	81.2
123.08089	28.2
123.11668	4.0
124.57163	2.2
127.03928	12.2
127.07565	8.5
129.10240	9.8
131.08528	4.9
133.10147	9.7
135.08066	4.1
135.11723	5.8
136.07646	2.6
137.05956	8.6
137.13251	3.5
139.07387	2.6
140.07091	15.7
141.07417	3.7
145.04961	7.2
145.06335	4.5
145.10156	3.8
147.04440	2.9
147.08044	4.0
147.11681	8.7
149.09633	13.0
151.07590	12.7
152.55603	2.7
159.07912	2.5
161.13283	36.7
163.11221	36.0
165.12749	14.5
167.07071	12.7
169.13347	3.6
171.11688	10.1
175.59044	2.4
179.14325	49.3
181.04987	5.2
181.12221	4.8
185.09209	3.0
189.12729	26.0
199.14545	3.0
201.05457	3.1
207.13837	100.0
211.90816	2.6
219.01617	3.0
225.14876	47.9
225.17058	1.6
226.07796	5.4
233.08112	9.2
249.14996	4.9
291.03204	2.2
292.06201	2.3
301.12677	11.4
327.09744	2.7
343.13702	25.3
359.24695	2.5
387.12595	59.7
387.16248	60.1
401.81241	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	388.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65383	0.7
55.01864	1.3
56.05027	2.8
56.47472	0.7
65.03935	1.1
67.01862	1.6
67.05499	1.7
68.99793	2.2
69.03416	2.0
69.07071	3.6
70.06591	14.8
70.08976	1.6
70.09368	1.4
72.08144	2.4
79.05502	1.6
79.65221	0.9
81.03407	1.3
81.07056	2.2
83.01351	0.9
84.04485	4.9
84.08122	2.7
84.96092	0.9
85.02898	1.8
86.06044	0.9
86.09708	37.8
87.10028	1.8
91.05469	3.2
93.03410	0.9
93.07055	2.2
95.04967	1.1
96.08155	1.2
96.20031	0.8
97.06490	1.0
98.97578	2.8
102.05537	2.1
103.05491	1.6
105.03428	2.2
105.07029	3.1
107.04945	1.1
107.08601	2.9
108.25086	0.8
109.02880	1.4
109.06532	0.9
109.10170	0.8
111.04464	2.5
113.04762	0.6
115.05470	1.1
116.07066	1.0
116.98597	1.0
117.07020	2.8
119.04932	1.0
121.02870	6.6
121.10151	1.1
123.04479	1.0
124.03967	0.8
127.03909	2.3
129.10246	1.0
131.04944	1.6
133.06505	1.8
133.10123	7.0
137.06003	2.2
137.09608	1.8
139.03893	1.9
144.06549	4.8
145.06479	4.2
147.04414	2.2
149.02351	3.0
149.06013	2.2
151.03928	1.5
153.01830	89.0
158.99719	1.1
159.04431	2.1
161.06001	3.9
162.07625	8.2
163.03845	1.6
163.07507	2.4
163.14694	0.9
165.01826	1.0
167.03424	3.3
167.07089	1.5
171.02908	1.5
173.06015	4.4
173.13219	1.8
175.03944	2.3
177.00671	0.9
177.05484	10.4
179.07095	1.4
181.05000	0.9
187.03897	2.3
187.89066	0.7
188.03401	1.1
188.07137	0.7
189.05444	6.2
191.03513	1.0
191.07014	6.6
191.14294	1.8
194.75548	0.7
195.02898	7.1
199.03885	1.0
199.18097	7.2
201.05490	4.4
203.03445	2.3
205.05032	2.7
206.08086	3.9
207.06589	0.9
208.09637	4.4
213.05411	0.9
215.03413	1.5
216.06699	0.9
216.84625	0.8
217.04797	1.5
218.08098	1.1
219.06525	2.1
227.17561	2.7
233.04427	0.9
234.07661	2.2
236.09224	7.5
237.02925	1.2
245.04578	1.1
267.06531	2.7
275.16086	2.3
279.06534	3.0
285.07547	1.6
290.05609	0.9
291.13489	0.7
295.06137	2.8
297.07639	2.7
307.06076	2.2
312.17975	0.8
313.07092	2.3
315.08850	0.8
323.05505	1.6
325.07059	2.1
328.21237	0.7
335.05460	1.6
341.06418	4.2
345.15192	2.4
352.08035	1.1
353.06558	3.8
359.07675	1.8
370.09314	2.6
371.07663	2.2
388.10294	100.0
388.23517	6.3
389.10352	2.6
389.14719	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	388.1062
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
53.03945	0.5
55.05502	0.8
56.97482	0.5
58.96733	0.5
67.05486	1.0
67.87464	0.5
71.55343	0.7
74.15701	0.5
78.04732	1.3
79.05485	2.2
81.07054	1.0
87.04482	0.7
91.05499	4.5
92.04988	0.6
93.03417	0.6
93.07058	0.9
93.70304	0.5
95.04948	1.1
95.08592	1.1
96.60167	0.5
104.05010	11.9
105.05788	24.7
105.06938	1.1
106.06593	4.0
107.07344	2.6
108.04515	0.5
109.06532	1.7
109.10224	0.7
112.66348	0.6
116.05006	1.5
116.36357	0.6
117.05762	1.6
118.06555	5.4
119.03709	9.7
119.08560	0.7
120.04473	14.3
121.06510	3.2
123.06816	3.5
128.05014	1.0
130.02879	2.4
131.08597	0.6
132.03455	0.9
132.04465	20.0
133.05251	38.4
134.02405	1.2
134.06027	11.3
139.00591	1.0
146.06012	4.2
146.66084	0.6
148.03918	1.9
149.04741	44.2
151.06291	0.8
156.04501	0.6
162.05530	22.0
163.06302	100.0
164.07088	46.9
164.08543	0.7
166.08582	1.2
179.05817	1.8
194.08150	40.0
218.08441	1.5
232.07718	0.7
243.08032	1.6
253.05153	2.8
261.08951	2.0
278.07300	0.5
280.06534	0.6
281.04749	0.8
296.05875	17.6
313.04614	0.6
324.05334	2.0
351.57159	0.6
370.24509	1.6
388.25320	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	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01861	0.7
59.26255	0.5
62.16049	0.6
69.03439	3.5
70.06588	1.1
71.54985	0.6
71.55370	0.8
79.05514	4.7
81.03420	2.0
85.02912	8.6
86.09721	1.6
87.00838	4.2
89.22647	0.7
91.05508	0.9
95.04961	1.5
96.43484	0.6
97.02888	5.4
99.04439	1.4
103.05492	3.4
105.01870	11.4
105.07037	100.0
106.07346	0.7
109.02893	2.7
122.09664	1.0
124.01552	0.5
127.03922	7.4
137.05981	0.9
138.06294	1.0
145.04964	6.4
159.02911	1.7
159.08098	0.6
166.57927	0.6
189.09071	0.6
213.09245	0.9
231.05025	3.1
249.06108	2.1
389.15311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01875	5.4
55.05509	2.3
56.96559	7.1
57.03438	2.2
61.02923	7.0
67.05528	2.0
68.99791	3.5
69.03444	26.4
70.06587	4.3
71.04991	3.1
71.56071	2.7
73.02917	5.6
79.05495	6.3
81.03431	17.7
83.06113	3.7
84.04510	4.8
84.08153	2.4
85.02915	72.1
86.09722	8.7
87.00843	28.0
87.10034	2.9
89.26063	1.6
93.53202	1.8
95.04971	2.7
95.08659	1.9
97.02913	21.3
98.97601	4.1
99.04462	9.9
103.03931	3.0
103.05494	2.3
105.01882	47.6
105.07048	100.0
108.04507	3.1
109.02309	2.0
109.02906	20.0
119.08582	4.1
121.06599	2.4
122.03723	1.8
126.05496	1.9
127.03933	47.8
129.01825	3.1
131.04953	3.7
133.06476	1.9
137.06006	13.2
138.06352	5.0
144.88974	1.8
145.04970	20.9
147.02841	1.8
149.05937	2.1
152.50781	1.9
159.02878	10.1
161.06068	1.9
163.03922	3.5
167.07069	4.7
173.83664	1.8
177.05487	3.7
181.04897	2.1
182.05287	2.7
189.03851	1.7
208.32809	2.0
213.03940	3.0
213.09131	2.9
224.16338	1.9
231.05029	13.5
249.06076	3.7
260.52530	1.9
292.86368	2.3
388.14984	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	388.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01875	5.4
55.05509	2.3
56.96559	7.1
57.03438	2.2
61.02923	7.0
67.05528	2.0
68.99791	3.5
69.03444	26.4
70.06587	4.3
71.04991	3.1
71.56071	2.7
73.02917	5.6
79.05495	6.3
81.03431	17.7
83.06113	3.7
84.04510	4.8
84.08153	2.4
85.02915	72.1
86.09722	8.7
87.00843	28.0
87.10034	2.9
89.26063	1.6
93.53202	1.8
95.04971	2.7
95.08659	1.9
97.02913	21.3
98.97601	4.1
99.04462	9.9
103.03931	3.0
103.05494	2.3
105.01882	47.6
105.07048	100.0
108.04507	3.1
109.02309	2.0
109.02906	20.0
119.08582	4.1
121.06599	2.4
122.03723	1.8
126.05496	1.9
127.03933	47.8
129.01825	3.1
131.04953	3.7
133.06476	1.9
137.06006	13.2
138.06352	5.0
144.88974	1.8
145.04970	20.9
147.02841	1.8
149.05937	2.1
152.50781	1.9
159.02878	10.1
161.06068	1.9
163.03922	3.5
167.07069	4.7
173.83664	1.8
177.05487	3.7
181.04897	2.1
182.05287	2.7
189.03851	1.7
208.32809	2.0
213.03940	3.0
213.09131	2.9
224.16338	1.9
231.05029	13.5
249.06076	3.7
260.52530	1.9
292.86368	2.3
388.14984	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	388.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	3.9
57.07074	2.1
67.05505	5.5
67.36097	0.8
69.83914	4.4
71.05010	1.1
74.02441	1.4
84.04514	74.2
84.08150	100.0
85.02905	3.2
85.08489	0.9
86.09707	12.6
94.57347	0.7
95.04971	6.0
102.05547	5.5
108.08124	1.3
111.15773	0.7
112.07609	1.4
113.06012	9.1
122.06053	3.7
124.03988	1.5
124.07632	0.8
130.05013	20.0
130.08652	74.9
149.07133	1.8
150.05530	1.9
150.09151	6.4
152.10753	1.0
167.08197	1.4
168.06561	5.6
168.10274	2.4
169.13362	0.8
195.07700	3.5
196.06096	1.6
196.09712	20.7
198.11319	2.9
213.12346	2.4
215.13968	2.3
241.08266	4.0
241.11977	1.7
242.06653	3.0
242.10255	10.0
259.12918	45.8
325.13965	2.9
371.14600	0.9
388.17239	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	388.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47010	0.9
56.05040	5.1
57.07069	2.6
57.61533	0.8
67.05502	3.8
69.03439	1.0
69.07084	1.4
70.98653	1.9
74.02451	1.7
84.04516	75.7
84.08151	100.0
85.02899	2.7
85.06545	1.0
86.09713	13.1
94.06538	1.0
95.04972	5.7
102.05549	4.6
105.06962	0.8
106.02910	1.9
112.07591	2.0
113.06017	9.3
122.06019	3.2
124.03984	5.0
124.07574	0.9
130.05019	19.9
130.08658	77.6
148.06033	1.1
149.07120	1.8
150.05519	2.1
150.09189	7.0
152.10716	1.2
168.06589	5.6
168.10210	2.7
180.06532	1.7
192.53044	0.8
195.07608	3.3
196.06029	1.4
196.09721	19.6
198.07587	5.0
198.11327	4.2
213.08655	0.7
213.12381	2.2
215.13947	2.3
215.93633	0.8
227.11513	0.8
241.08209	4.2
241.11824	1.7
242.06577	2.0
242.10286	9.1
243.20247	0.7
259.12924	40.5
259.94540	0.8
279.13721	1.0
325.13821	2.3
371.09698	0.8
371.14456	1.3
388.17099	4.4
396.47772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89894	0.8
53.03952	0.7
55.01865	1.6
55.05490	1.5
56.05029	1.1
56.96569	1.8
60.04521	0.8
60.64557	0.7
69.03436	1.4
69.07070	1.3
69.75070	1.2
69.75464	2.4
70.06597	4.2
71.04994	0.8
72.08167	7.8
74.06064	1.3
76.52517	0.8
81.03398	0.9
81.07066	0.8
82.06594	1.0
82.75555	0.7
83.04985	0.7
84.04497	3.2
84.08139	4.2
85.02895	3.0
86.09713	12.5
87.04491	0.8
87.05596	0.7
91.05468	2.0
93.07034	0.9
95.04982	1.2
95.08599	0.9
96.04469	0.9
97.02876	1.6
98.21483	0.9
98.97580	2.5
101.00838	0.7
102.05535	0.9
105.03398	0.8
107.04935	1.2
109.02815	1.1
110.86523	0.7
110.97569	0.8
116.98621	1.4
119.01904	2.2
119.04946	0.8
120.08105	1.1
121.06544	0.8
123.66685	0.7
125.74798	0.7
126.05509	1.1
127.03929	0.9
128.98616	0.9
129.10240	1.2
131.08528	0.9
136.07610	0.9
138.65175	0.8
141.08904	2.2
143.01898	1.9
143.11823	1.7
145.03500	1.7
147.04395	1.6
157.03435	1.0
161.01260	0.9
161.02989	1.9
161.06056	1.0
167.07056	1.1
177.05498	2.8
181.04921	1.7
196.09789	0.9
203.03925	0.8
216.49745	0.8
219.13559	1.0
221.02892	1.0
221.05064	1.5
227.05273	2.9
235.15201	1.2
237.02808	1.6
247.06735	1.2
293.09210	1.0
303.14059	5.0
321.13837	1.3
327.14203	1.9
329.07928	1.0
345.11829	3.0
345.15247	35.0
389.14185	100.0
390.14606	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	389.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42596	0.7
56.96568	0.7
63.33250	0.7
63.86585	0.6
67.05506	1.1
70.06603	1.5
71.55112	1.2
76.06534	0.6
83.04972	2.2
83.08642	0.6
84.08127	0.8
85.02893	1.0
85.77046	0.7
86.09713	4.0
91.05487	1.7
93.03416	0.8
93.07033	1.3
95.05025	0.8
95.08656	0.7
97.06566	0.9
98.97598	1.2
103.05472	1.6
105.07025	0.7
107.04987	1.3
107.08622	0.7
109.10159	0.9
111.04491	1.1
119.05015	0.8
130.06577	1.3
131.04950	1.1
132.08063	0.9
132.10239	0.7
137.06020	2.0
138.06351	0.8
139.03925	1.9
141.08800	1.3
144.08142	0.8
145.06345	0.7
147.04448	2.3
149.05965	1.0
159.09193	2.7
161.06041	0.9
167.07037	0.7
169.12309	1.1
170.06029	1.3
175.07545	1.7
185.04411	0.6
186.09683	0.7
188.03421	5.6
197.12906	0.9
200.00026	0.7
206.04478	0.9
216.00362	0.7
227.05333	1.4
271.04575	0.8
272.17706	1.9
293.09131	0.8
303.14218	7.1
321.14185	1.1
326.06668	1.0
339.09714	1.6
345.15240	43.0
346.15445	0.9
354.06171	1.7
371.09073	0.8
374.04178	0.7
389.14200	100.0
390.14615	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.8
55.05489	1.8
55.12739	1.5
56.96576	10.5
69.03403	4.4
69.07048	2.9
69.80073	3.7
69.80481	6.4
70.06554	7.1
71.04984	1.6
71.70962	1.9
72.08121	4.1
73.02866	2.3
79.05455	1.8
81.03368	2.0
81.07011	2.7
84.04467	5.1
84.08093	6.4
85.02869	4.3
86.09711	24.8
88.03954	1.8
91.05431	4.7
93.07014	3.1
97.02836	1.9
98.21400	2.8
98.97584	12.0
101.67690	1.7
103.05401	2.4
107.04929	2.6
116.07017	2.0
116.98556	4.5
119.01822	2.6
119.95975	1.6
120.08061	2.4
127.00615	6.9
129.10187	3.9
137.05902	3.2
141.08815	1.8
144.06497	1.7
145.01753	15.0
151.07582	2.1
155.06987	3.7
155.11768	2.3
158.99670	2.5
162.07498	3.1
163.02789	9.5
197.12744	5.5
200.13870	2.9
209.08289	3.5
209.11348	2.0
223.05540	7.7
227.05081	2.8
227.09285	7.9
237.02670	3.2
245.10625	3.7
247.03786	1.7
253.12135	2.0
269.10641	24.8
271.04501	2.6
287.11380	2.6
299.11295	3.8
303.13815	5.0
304.07925	2.7
325.05991	1.8
327.13916	3.0
345.15207	25.7
357.83795	1.8
371.17825	2.6
389.13959	100.0
390.14401	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	389.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25762	3.2
55.01878	4.9
55.05526	4.9
55.88313	4.1
56.96580	6.9
66.24888	3.5
69.03424	8.1
69.07060	8.4
69.52454	27.2
70.06583	9.7
72.08145	13.8
73.02907	8.9
79.05526	5.4
81.03395	6.2
81.07048	5.8
83.04984	4.0
84.04511	9.7
84.08147	5.7
85.02892	7.5
86.09714	97.0
86.10236	4.9
91.05484	5.7
95.04960	9.3
95.08623	5.7
97.02914	6.9
98.06048	3.8
98.21494	5.4
98.97604	12.7
101.49611	3.3
123.04430	4.2
124.57958	3.8
127.03901	5.7
128.98607	3.6
131.04980	4.1
132.08104	3.9
140.04657	8.0
143.11798	9.1
145.05054	3.6
154.55695	3.6
155.07079	21.0
155.16718	3.4
158.99725	3.9
166.08751	3.4
171.11282	5.3
179.11749	4.2
181.04999	19.4
197.12854	17.0
201.12418	3.7
215.13892	5.4
227.09273	30.4
231.17207	4.9
308.07306	4.1
345.15222	16.2
389.13895	46.5
389.17892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.8
55.05489	1.8
55.12739	1.5
56.96576	10.5
69.03403	4.4
69.07048	2.9
69.80073	3.7
69.80481	6.4
70.06554	7.1
71.04984	1.6
71.70962	1.9
72.08121	4.1
73.02866	2.3
79.05455	1.8
81.03368	2.0
81.07011	2.7
84.04467	5.1
84.08093	6.4
85.02869	4.3
86.09711	24.8
88.03954	1.8
91.05431	4.7
93.07014	3.1
97.02836	1.9
98.21400	2.8
98.97584	12.0
101.67690	1.7
103.05401	2.4
107.04929	2.6
116.07017	2.0
116.98556	4.5
119.01822	2.6
119.95975	1.6
120.08061	2.4
127.00615	6.9
129.10187	3.9
137.05902	3.2
141.08815	1.8
144.06497	1.7
145.01753	15.0
151.07582	2.1
155.06987	3.7
155.11768	2.3
158.99670	2.5
162.07498	3.1
163.02789	9.5
197.12744	5.5
200.13870	2.9
209.08289	3.5
209.11348	2.0
223.05540	7.7
227.05081	2.8
227.09285	7.9
237.02670	3.2
245.10625	3.7
247.03786	1.7
253.12135	2.0
269.10641	24.8
271.04501	2.6
287.11380	2.6
299.11295	3.8
303.13815	5.0
304.07925	2.7
325.05991	1.8
327.13916	3.0
345.15207	25.7
357.83795	1.8
371.17825	2.6
389.13959	100.0
390.14401	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	389.1785
Annotation	Trp Pro Ser
Peak:m/z	Relative Intensity
57.65755	0.4
67.58944	0.3
70.06591	0.9
70.66914	0.7
70.67270	0.6
72.08144	1.5
81.07065	0.4
84.04507	1.0
84.08155	0.6
85.02880	0.5
86.09719	2.3
90.10771	0.3
97.13152	0.3
98.97546	0.4
102.05533	0.7
124.07600	2.9
131.04964	0.4
142.08672	1.1
147.07698	0.6
162.05226	0.3
215.13751	0.5
219.07109	1.3
256.39929	0.4
261.14639	0.4
278.53452	0.4
365.45139	0.4
371.16525	0.7
389.17828	100.0
390.18341	1.9
392.71164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.4
55.01873	2.1
55.05519	15.5
55.24302	1.2
57.03434	3.7
61.02933	1.5
67.05515	2.3
69.03079	1.7
69.03436	21.9
69.07064	2.6
69.98518	4.8
71.04999	9.1
79.05495	3.1
81.03430	34.2
81.07040	2.6
83.04961	3.8
83.08630	7.7
85.02917	62.9
86.09689	1.8
91.05497	3.8
93.07036	2.7
95.04986	1.5
95.08604	3.7
97.02905	4.7
97.06538	1.5
98.97615	1.8
99.04472	30.9
99.08085	1.7
103.03954	57.9
107.08587	1.3
109.02892	26.0
109.06509	2.0
111.04475	1.4
111.08117	8.3
115.03936	2.3
121.06510	1.5
123.08074	2.9
125.09636	1.0
127.03931	100.0
127.07590	1.6
128.04285	1.5
131.08685	1.0
135.08073	4.1
137.06007	1.1
139.07559	6.4
141.09142	7.8
145.04971	11.5
145.10133	1.3
151.04037	1.2
151.07559	2.8
153.09102	1.1
163.06029	1.2
167.10750	1.3
177.00922	1.2
179.10796	1.1
187.06056	7.4
191.10722	2.0
209.11719	7.3
230.21237	1.2
244.57361	1.0
253.07074	2.9
263.85092	1.2
269.13861	10.0
271.08154	1.4
283.10532	1.1
329.11386	2.5
357.11041	1.8
389.13959	1.4
397.11975	1.0
410.19876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21186	1.1
56.96567	5.2
67.05498	3.0
69.03419	2.4
69.07069	2.1
71.55042	1.7
73.02892	1.4
79.05479	3.0
81.03423	3.8
81.07035	2.4
84.08198	1.0
85.02907	2.5
88.03985	1.6
91.05488	2.2
93.07043	1.9
95.04971	2.0
97.02914	2.3
98.97546	1.5
100.83839	1.0
105.07006	2.8
107.04961	1.6
109.10164	1.4
119.08554	1.8
121.10152	1.9
133.10094	1.4
137.06073	2.2
193.12305	2.1
223.06990	1.2
235.60229	1.1
255.09047	2.4
267.15842	1.2
269.10452	2.0
281.73959	1.2
284.12735	1.5
285.10172	2.1
302.30508	2.2
331.16003	1.6
333.18973	1.5
349.16852	3.7
367.18137	2.2
389.22998	100.0
389.33459	2.6
390.23257	3.6
390.35733	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	390.1162
Annotation	CAY10566
Peak:m/z	Relative Intensity
57.31463	1.2
70.18830	5.4
92.35133	1.3
98.21461	1.7
102.13192	1.6
202.93146	1.5
228.06351	11.4
231.62662	1.3
264.94830	1.4
390.11649	100.0
391.12097	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	3.7
69.03453	2.0
69.07043	1.5
70.06585	1.4
71.54517	1.3
72.08151	4.0
81.03411	1.6
84.04513	12.1
84.08155	3.6
85.02915	4.6
86.09715	13.8
93.23096	1.3
97.99209	2.0
98.97572	4.4
113.04942	1.6
116.00282	1.4
129.10284	3.2
130.08656	1.4
132.10202	4.0
138.05235	1.4
139.41484	1.3
147.07706	1.6
156.03345	1.5
159.79134	1.3
161.02979	1.6
174.04498	1.8
198.11275	2.0
200.05991	6.3
218.07021	3.1
219.01965	1.6
219.07884	3.5
226.07530	4.7
228.06436	9.9
244.08487	3.9
246.06506	3.7
261.14505	3.0
264.07529	1.7
282.63974	1.4
288.07584	5.0
390.11615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1875
Annotation	Glu-Glu-Ile
Peak:m/z	Relative Intensity
56.05027	2.6
56.96568	1.8
67.05509	1.0
69.03421	1.2
69.07072	9.7
69.73046	4.3
70.06601	5.5
72.08147	2.8
72.66422	0.7
81.18780	0.8
82.30412	0.8
83.06065	1.1
84.04512	50.7
84.08134	2.5
85.02917	5.3
85.04818	1.0
86.09714	100.0
87.10037	1.2
97.02840	0.9
97.06552	0.9
98.20803	1.6
98.97578	2.5
102.05554	5.5
107.04940	2.1
109.10123	0.8
114.05537	1.4
118.06846	1.2
120.08084	0.8
122.06025	2.9
129.10211	1.0
130.05009	17.7
132.10216	52.6
142.04965	1.0
148.06047	2.1
149.07059	1.0
151.12233	0.7
152.10715	2.2
163.03972	5.2
168.06558	5.5
170.11775	6.0
179.13567	0.9
195.07674	2.2
196.06010	0.9
197.12875	1.0
197.90958	0.9
198.11253	18.4
215.13934	2.3
241.08134	3.5
242.06622	1.7
243.13429	1.6
244.11797	8.4
246.42822	0.8
259.09271	1.8
261.14484	42.5
277.10257	1.5
290.64178	0.8
327.15485	1.5
379.82953	0.9
390.14560	0.9
390.18359	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	390.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.9
56.96569	28.0
61.02944	3.0
67.05503	3.3
69.07055	3.3
71.15170	2.6
71.95257	3.0
73.23173	1.7
79.05492	2.7
81.07062	1.7
85.02900	2.1
91.05479	3.5
93.07082	2.0
95.08643	2.1
97.02929	1.8
97.06490	2.0
98.97569	3.0
107.08592	2.6
110.97566	5.4
115.61992	1.6
116.51183	1.8
128.31712	1.8
128.98608	5.7
133.01791	1.5
146.56293	1.5
146.99762	1.8
154.83969	1.7
155.03922	1.9
171.03305	3.1
181.13998	1.6
185.04857	4.0
187.06363	2.3
193.12253	2.0
199.06488	4.8
203.05931	3.6
211.06520	2.1
213.07953	2.9
217.07520	4.4
225.07898	2.1
227.05930	2.2
231.09079	3.9
243.09013	4.4
251.11482	2.3
255.08896	2.3
257.10635	1.9
269.12311	5.5
280.09912	3.0
286.98129	1.9
293.84268	1.8
331.15829	73.1
332.15955	2.0
349.16867	100.0
350.17230	3.2
367.17941	39.9
368.17969	2.3
372.18381	9.8
390.19492	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	391.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.1
55.01882	1.2
55.05505	1.4
56.96557	1.8
57.03456	2.1
57.07082	1.4
61.02927	2.7
67.05523	1.9
69.03078	1.3
69.03434	20.5
69.07080	1.9
70.06576	0.9
71.05007	6.6
71.08652	1.3
71.56018	1.3
73.02945	1.3
79.05500	1.9
81.03423	32.8
81.03910	1.6
81.07061	2.0
83.04958	1.2
83.08617	1.5
84.21281	0.9
85.02911	57.7
95.04972	1.3
97.02895	5.8
97.06532	4.3
98.97581	1.2
99.04463	29.1
100.79465	1.1
103.03953	50.5
105.07037	1.4
109.02889	25.4
109.10172	1.4
127.03931	100.0
145.04985	9.2
149.02338	8.1
163.03926	1.3
187.06058	7.3
215.07143	1.3
229.07547	4.4
247.08585	1.4
253.07059	3.7
271.08252	2.6
347.16971	1.3
391.12357	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	391.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92794	0.5
56.05024	1.0
56.96556	1.5
57.07070	1.0
61.01156	26.7
69.03423	1.4
69.07079	0.8
70.06598	100.0
71.06946	0.7
71.08621	0.7
71.54431	0.8
72.08161	10.1
83.06107	8.4
84.04510	13.8
84.04970	1.2
84.08141	2.0
85.02918	1.9
86.09711	5.6
88.07594	0.9
91.05479	1.1
95.04972	1.0
97.02837	0.7
97.14993	0.6
98.97610	2.3
100.11152	0.6
101.07164	3.9
101.68468	0.5
102.05597	0.6
105.03436	1.2
107.04969	1.8
116.98586	0.9
117.03709	0.7
118.06889	96.6
118.08608	4.9
119.07241	0.9
120.08103	2.3
121.02874	0.8
127.04018	0.7
129.06656	1.7
129.10307	0.6
132.10223	1.0
137.05997	0.9
138.09149	1.1
145.05109	0.9
147.04445	1.3
149.02341	9.5
155.11771	0.7
157.06119	1.5
158.99706	1.5
161.09273	0.9
163.09035	7.5
167.03409	0.9
167.07080	1.9
175.04643	0.7
182.12982	2.5
183.03246	0.8
183.11299	8.6
198.11201	0.7
211.10771	0.7
214.07294	0.6
219.01833	1.4
228.13441	19.1
228.15547	1.2
229.11873	13.0
237.02930	1.3
243.08069	1.0
246.12682	5.1
246.14816	11.8
274.12213	19.3
292.13458	0.8
331.10413	0.9
342.04907	0.6
351.68408	0.6
373.19037	0.7
374.17542	4.2
391.10074	0.9
391.19998	24.0
402.17560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93297	0.3
56.96559	1.5
67.05508	0.8
69.56915	2.6
73.02919	0.7
79.05527	0.5
81.03391	0.5
81.07072	0.5
91.05500	0.6
93.07086	0.5
93.26397	0.4
109.10208	0.4
117.07027	0.4
140.48378	0.4
149.02345	2.1
192.67148	0.4
285.10138	0.8
286.10556	0.6
332.15775	0.5
350.17270	1.1
368.18274	0.7
391.24588	100.0
392.24994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
56.96563	1.8
57.07076	1.0
61.02892	0.8
67.05493	1.7
69.07070	0.8
69.71358	2.4
69.71773	1.2
71.08626	1.6
73.02915	0.9
79.05488	1.6
81.03404	0.8
81.07038	1.2
85.02898	0.8
91.05487	0.9
93.07046	0.6
95.04961	1.3
95.08610	1.2
105.07018	1.3
109.10121	0.9
115.12322	0.6
115.56792	0.6
119.08604	1.1
121.10127	0.8
131.08658	0.6
133.10086	0.7
133.83928	0.5
143.08598	0.6
145.10126	0.7
149.02338	6.5
159.11751	0.6
351.18558	2.8
369.19516	2.2
373.25223	0.7
391.24564	100.0
392.24933	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	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.05489	8.1
57.07045	2.9
62.89417	2.2
67.05505	11.8
69.07047	4.6
69.69333	4.3
69.69750	7.1
79.05502	13.4
81.07071	22.8
83.08571	2.1
85.06513	3.0
91.05493	17.1
93.07059	21.2
95.04984	20.0
95.08573	9.0
97.06464	3.2
103.05486	3.1
105.06414	3.4
105.07043	38.7
107.04921	2.3
107.08595	14.8
109.06488	5.1
109.10115	4.5
115.05427	3.7
117.06987	7.3
119.08585	28.6
121.06499	4.0
121.10152	14.7
128.06177	5.7
129.06929	8.2
130.07788	4.8
131.08603	13.6
133.10080	8.6
135.07993	3.6
141.06967	4.2
142.07724	8.7
143.08559	17.3
145.09221	2.2
145.10141	21.6
147.08072	3.0
147.11589	6.1
149.02368	12.7
149.09639	2.4
153.06958	2.3
155.08496	5.9
156.09341	9.7
157.10161	17.2
159.07970	2.5
159.11638	7.5
161.09586	6.4
161.13237	3.2
165.06903	6.2
167.08542	6.1
168.09322	4.9
169.10170	12.4
170.10921	2.4
171.11713	10.8
173.09586	3.9
173.13228	5.1
175.11186	2.8
178.46252	2.1
179.08559	4.8
180.09258	3.4
181.10153	9.9
182.10797	4.5
183.11743	13.2
185.13139	5.0
186.11154	2.3
187.11145	2.7
187.14856	2.6
191.14192	5.0
193.10046	7.9
194.10883	4.0
195.11600	9.2
196.12347	4.9
197.09482	2.2
197.13344	9.7
199.11127	3.6
199.14719	4.6
206.10867	4.7
207.11632	7.5
209.13123	7.9
210.13936	2.7
211.14751	4.7
217.10060	2.5
218.10751	2.9
219.11612	3.9
220.12325	3.7
221.13159	7.7
222.13849	2.2
223.14647	6.4
225.12589	2.2
227.14235	4.8
231.11754	3.2
233.13162	4.0
235.14655	5.7
237.12724	2.3
245.13190	4.1
246.14107	2.3
247.14688	3.4
249.16319	6.4
251.14221	2.2
251.17885	2.7
261.16345	2.6
263.17719	4.2
264.18649	2.4
267.17447	3.9
273.16379	3.1
275.17810	3.2
277.19626	2.3
279.17294	2.7
282.19568	5.9
291.17221	2.6
293.18970	3.3
299.17505	2.6
317.18607	2.8
335.19901	4.1
373.25208	11.0
391.14758	4.0
391.24640	100.0
391.35416	3.2
392.25189	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	392.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.33530	3.5
55.41701	4.0
61.02912	4.3
69.03428	12.6
70.78869	10.6
71.04987	5.3
75.84681	3.6
81.03416	19.9
85.02914	77.2
86.06068	12.2
97.02891	30.2
99.04450	42.8
99.38093	3.7
103.03954	75.4
109.02874	15.9
127.03925	100.0
145.04991	57.3
146.05164	3.8
163.06070	11.9
214.68556	3.7
409.93732	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	392.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78457	1.1
54.12069	1.0
56.96571	48.0
67.05501	1.8
69.76462	6.1
71.95271	6.0
72.08159	1.2
72.96027	2.5
79.05518	1.5
81.07038	2.8
84.14201	1.0
84.96043	2.3
97.96798	1.7
98.97598	1.4
100.88809	1.0
110.97581	2.6
115.00788	1.5
119.01630	1.0
119.75900	1.2
123.01203	1.3
127.00659	1.3
128.98615	3.3
137.02779	2.9
149.02362	1.5
153.02196	1.4
155.03787	3.2
164.94925	1.1
167.03767	1.8
171.03239	1.9
173.04787	2.0
181.05385	4.4
183.03337	1.5
183.06929	2.9
183.62489	1.0
185.04901	4.8
185.08475	1.4
187.06375	2.0
195.06987	3.5
199.06448	21.2
201.07991	8.1
203.05829	2.6
203.09612	1.2
211.06386	9.5
213.07993	33.1
215.06015	1.2
215.09671	1.3
217.07503	16.6
219.09105	3.6
222.07941	1.8
225.07941	2.7
227.09480	2.7
229.07494	100.0
231.09071	33.4
236.09636	2.4
243.09068	18.1
245.10541	1.5
247.08572	56.8
252.09105	11.6
254.10767	1.5
258.07648	1.4
261.10037	9.8
266.10669	1.4
270.10135	2.4
295.12048	1.8
309.17313	1.5
315.16556	1.8
323.18985	1.8
325.66779	1.1
333.17349	16.4
351.18442	64.4
369.19525	82.3
370.19611	1.3
374.19971	3.0
387.20416	3.9
392.20837	12.7
392.25284	2.7
392.36310	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	392.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00455	1.2
55.50024	1.2
56.96568	15.9
67.05490	2.4
70.06571	1.7
71.95266	2.9
78.19881	1.4
79.05478	3.5
79.83264	1.3
81.07042	1.9
83.17030	1.3
91.05481	3.0
93.07037	2.8
95.04974	1.8
95.08638	2.0
97.96807	1.3
98.97630	2.0
105.07035	3.7
107.08581	2.2
110.97578	11.1
119.04919	1.5
119.08595	6.2
124.99126	2.7
128.98598	8.8
131.08585	2.5
133.10117	2.2
141.99373	2.2
142.19258	1.3
143.00151	2.9
143.08568	2.3
145.10109	3.4
146.99673	4.1
148.00470	4.6
149.02341	3.8
152.00175	1.7
154.94246	2.0
157.10139	2.3
159.11742	1.5
160.00497	2.0
161.01271	2.0
163.07574	2.2
164.46587	1.3
171.03278	3.5
173.01305	1.7
173.13249	1.5
182.62582	1.4
182.99661	1.5
184.04047	1.5
185.04814	4.2
189.04420	3.5
197.01239	6.3
199.06429	5.4
201.00653	2.4
203.05908	2.2
209.04852	1.8
211.06451	2.2
213.08040	1.6
215.02336	5.8
217.07475	4.6
227.05876	4.5
229.07521	8.1
231.09085	1.9
239.05809	7.8
240.06839	2.9
245.06956	2.5
247.08578	6.4
256.26465	2.3
257.06976	16.3
258.07745	16.1
260.11157	1.5
272.05695	3.0
275.08029	3.7
276.08798	8.6
280.08536	2.5
280.50671	1.5
290.06891	1.7
291.16348	1.6
308.39157	1.4
309.17401	4.8
315.16486	1.8
333.17343	15.3
349.03043	1.4
351.18430	65.1
352.18661	2.7
365.14084	3.0
369.19519	100.0
370.19815	2.8
374.19925	3.3
387.20514	7.1
392.20663	13.9
392.25211	11.7
393.26041	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	392.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57507	1.1
53.03930	1.4
55.05501	4.4
55.97060	1.2
56.96556	3.2
67.05518	11.5
69.07069	3.9
70.02958	3.8
74.02448	35.2
79.05508	12.9
81.03409	2.3
81.07071	13.9
83.08620	2.2
88.04001	56.4
90.73488	1.0
91.05489	18.0
93.07052	13.2
95.04951	2.1
95.08607	8.0
97.06545	3.7
99.08121	1.2
105.07047	25.9
107.08613	9.4
109.10158	3.5
110.10446	1.4
116.03477	21.6
117.03382	1.8
117.07021	6.1
118.03728	1.3
119.04961	1.5
119.08604	16.2
121.10165	7.1
123.11645	1.8
129.06990	3.2
131.08580	10.1
133.10144	18.0
133.70572	1.2
134.04507	100.0
135.11719	9.2
136.81754	1.2
143.08533	4.6
145.02855	3.9
145.10123	6.8
147.04459	7.1
147.11725	17.5
149.02359	3.6
149.13278	3.3
157.10097	2.7
159.11714	11.0
161.13254	10.5
163.14815	1.5
171.11711	3.6
173.13280	6.2
175.14859	4.4
177.05447	4.1
185.13298	5.2
189.12843	1.3
191.24582	1.2
199.14839	2.1
199.41882	1.2
213.16472	1.6
215.17807	1.7
231.21243	1.6
241.11218	2.7
241.19485	8.6
259.12302	2.3
259.20581	24.8
269.10806	1.9
277.21542	1.5
349.10614	1.5
351.05301	5.4
351.18695	2.9
365.13785	4.7
369.06476	2.1
369.19577	7.3
374.23053	2.4
392.19763	1.8
392.24393	18.9
393.13257	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	393.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37762	22.0
65.45796	23.4
71.13659	50.3
76.01260	19.4
84.04536	20.5
85.02930	25.1
86.14183	21.4
88.47649	21.1
112.39943	22.0
116.70361	20.8
119.01949	39.8
120.65460	21.2
144.99951	24.7
365.13821	34.8
393.05646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51942	0.3
53.03951	0.5
55.05513	5.2
56.05030	0.4
56.96564	0.9
57.03436	0.4
57.05809	0.4
61.02943	0.3
67.05508	0.4
69.03432	1.1
69.07077	0.6
70.06599	1.7
71.54282	0.5
72.08160	57.2
73.02912	0.3
81.03411	0.5
81.07098	0.4
84.04501	0.6
84.08150	1.0
85.02905	2.0
86.06086	0.3
86.09711	2.2
91.05505	0.7
93.07044	0.6
97.02909	1.1
97.06506	0.5
98.97587	2.5
99.04483	0.6
103.03967	0.4
103.05486	1.4
107.62569	0.3
109.02905	0.7
110.97555	0.4
116.98662	0.5
118.03268	0.8
120.08112	100.0
121.02921	0.4
121.08461	1.1
127.03919	1.4
129.10251	0.7
133.06114	0.4
140.66451	0.4
145.04950	0.6
147.04436	0.9
149.10735	0.4
158.99687	0.7
175.10794	23.0
177.00795	0.4
177.05511	0.4
181.05116	0.4
191.11804	29.6
219.01797	0.9
219.04222	0.5
219.11301	27.2
219.14911	1.9
220.11673	0.6
222.08345	1.2
231.08946	1.0
232.07819	0.5
233.16608	0.4
237.02892	0.5
245.16609	0.4
247.14339	1.4
262.99969	0.3
273.16071	1.0
293.09158	0.3
297.08521	0.4
303.10812	0.4
312.11520	0.5
315.09753	0.6
318.18173	1.6
322.17755	0.7
365.13852	0.6
375.11905	1.2
393.24796	26.1
394.24844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96641	0.9
55.05522	5.6
57.03438	4.3
57.07081	35.6
67.05511	14.1
69.07068	7.8
69.86684	1.6
69.87045	3.9
71.08633	26.2
79.05537	1.2
81.07063	17.3
83.08629	11.5
85.06561	1.2
85.10184	12.7
93.07023	1.6
95.08611	25.9
97.10176	6.3
98.98472	68.1
99.11756	1.2
109.10176	11.2
111.11723	2.3
118.72987	0.8
123.11720	5.0
125.13290	1.8
132.10950	0.9
133.08516	0.9
137.13274	2.6
140.01109	1.3
155.01053	100.0
191.07034	1.4
196.03696	2.0
221.22713	1.6
239.23685	7.3
305.03650	0.9
365.14005	1.8
393.13275	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	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97990	0.4
52.99168	0.4
57.07078	2.9
58.07410	0.9
61.64137	0.4
67.05496	1.0
69.18822	0.8
69.19227	4.4
81.07040	0.7
91.05495	0.5
92.55751	0.4
93.07022	0.6
95.04955	0.8
98.20706	1.0
105.07084	0.5
118.03984	0.4
131.08554	0.4
146.57510	0.5
164.16670	0.5
191.07065	0.5
196.68173	0.5
239.34697	0.5
309.19992	1.9
317.36343	0.5
365.13821	2.1
375.24805	1.8
393.13327	1.8
393.26135	100.0
394.26511	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	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97990	0.4
52.99168	0.4
57.07078	2.9
58.07410	0.9
61.64137	0.4
67.05496	1.0
69.18822	0.8
69.19227	4.4
81.07040	0.7
91.05495	0.5
92.55751	0.4
93.07022	0.6
95.04955	0.8
98.20706	1.0
105.07084	0.5
118.03984	0.4
131.08554	0.4
146.57510	0.5
164.16670	0.5
191.07065	0.5
196.68173	0.5
239.34697	0.5
309.19992	1.9
317.36343	0.5
365.13821	2.1
375.24805	1.8
393.13327	1.8
393.26135	100.0
394.26511	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.05517	22.3
57.07070	12.5
58.45462	3.2
65.03964	4.3
67.05503	34.4
69.03436	5.0
69.07067	26.5
69.30595	25.4
71.04996	4.5
71.08625	7.0
79.05505	42.9
81.07059	71.4
82.84071	3.7
83.04971	6.0
83.08615	10.9
91.05489	65.0
93.06477	6.3
93.07052	85.4
95.04971	53.8
95.08615	56.4
97.06542	12.6
98.20808	6.4
98.98463	12.6
103.05465	5.6
105.04529	3.4
105.07039	100.0
107.04974	4.7
107.08594	58.6
109.06531	11.1
109.10157	28.4
113.00021	6.0
115.05445	3.9
117.07029	27.1
119.08588	93.9
121.06522	22.2
121.10160	41.1
123.08102	9.5
123.11706	9.9
128.06216	10.8
129.06998	18.0
130.07774	11.9
131.08578	43.3
133.10143	56.3
135.08090	6.8
135.11725	21.1
141.06966	7.2
142.07780	25.3
143.08574	39.6
144.09338	12.6
145.10138	66.6
147.08025	6.5
147.11681	20.1
149.09641	7.3
149.13272	4.8
154.07785	4.4
155.01035	18.8
155.08536	17.4
156.09348	14.1
157.10130	51.2
158.10786	3.6
159.08023	4.9
159.11708	51.2
161.09581	18.4
161.13251	8.7
165.07024	4.0
166.07753	3.5
167.08586	7.3
169.02641	7.9
169.10126	20.2
170.10968	6.0
171.11699	26.9
173.09709	4.6
173.13269	18.4
175.11197	11.3
175.14789	16.1
179.08618	8.1
181.10139	8.6
182.10907	8.9
183.11720	19.1
185.13310	10.1
187.11145	6.8
187.14819	10.9
189.12830	4.3
191.07068	4.6
192.09399	3.6
193.10132	7.1
195.11720	14.5
196.09174	3.5
197.11674	3.3
197.13237	17.5
198.13841	3.6
199.14790	8.0
201.12776	4.6
201.16377	8.7
207.11569	4.7
207.81497	3.5
209.13232	14.2
210.13821	5.3
211.14830	13.3
213.16425	5.7
221.13249	5.7
223.14836	9.2
235.14780	6.2
239.14313	6.0
253.15904	4.1
264.18982	3.8
265.19540	5.1
277.19458	3.9
295.20517	3.6
365.13837	11.6
393.13181	8.1
393.27783	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	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01883	1.3
55.05521	1.4
57.03435	2.6
61.02927	3.1
65.17636	1.0
69.03082	1.3
69.03442	15.8
70.06593	2.5
71.04991	4.8
72.08141	1.4
73.02917	3.8
79.05494	1.6
81.03432	17.8
81.06995	1.1
85.02913	75.4
86.09718	4.9
87.04456	1.5
88.07630	17.2
97.02908	29.4
98.21543	2.1
99.04463	38.8
100.78931	1.1
103.03955	67.2
109.02899	20.1
115.03931	1.9
120.08115	5.8
124.03986	2.1
125.05948	1.3
127.03933	100.0
128.04231	1.3
135.04442	1.6
136.07597	6.7
140.34094	1.1
145.04973	54.5
163.06047	16.6
167.07117	3.2
169.05016	2.0
187.06044	7.1
205.07098	3.4
216.08890	2.0
217.09070	3.2
241.09097	2.8
249.16138	2.6
271.08182	5.2
289.09155	3.4
291.52219	1.5
301.11224	3.2
307.10059	1.7
366.14218	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01880	7.8
55.05502	11.1
55.52892	4.0
56.96582	3.9
57.03416	6.6
61.02927	5.4
67.05486	16.5
69.03130	4.1
69.03433	39.4
69.06726	4.4
69.07072	58.7
69.22671	30.4
69.23080	7.0
70.06580	8.5
71.04969	8.2
73.02898	7.1
76.68185	3.6
79.05476	7.4
81.03422	23.6
81.07044	17.0
83.08625	8.3
85.02904	100.0
85.06540	9.5
87.00818	36.5
88.03986	4.8
91.05467	9.2
93.07030	13.9
95.08610	24.9
97.02903	31.4
97.06522	7.9
97.10181	5.5
98.97585	5.7
99.04434	14.0
99.08097	4.0
105.01854	37.1
105.07038	9.8
107.08598	11.3
109.02893	21.9
109.10136	5.4
111.04391	5.6
111.08070	10.8
111.11685	13.3
117.01833	4.5
117.06969	5.2
119.08561	12.7
121.10145	8.1
123.11712	4.9
127.03909	47.0
127.11200	5.2
129.12744	11.9
131.08534	3.7
133.10088	6.4
134.04462	9.3
135.11693	9.3
137.13210	3.5
139.07578	3.6
141.12749	9.1
145.04941	16.8
155.06140	4.9
159.02820	10.9
161.13202	19.2
179.10696	8.0
179.14282	21.3
181.12195	4.3
183.13741	3.4
197.15314	11.5
201.03825	5.3
201.12837	5.3
219.13782	10.3
231.05016	9.8
237.14923	7.9
323.14978	19.6
341.15698	4.1
354.90839	4.4
394.26355	7.6
395.24466	4.5
407.18420	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	394.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01861	5.5
55.05521	7.9
56.96571	3.8
57.03421	6.2
58.00155	1.7
60.57669	2.1
61.02935	6.7
67.05485	2.7
68.99792	4.4
69.03082	2.2
69.03442	42.1
69.06729	2.8
69.07076	43.8
69.43208	6.9
69.43630	5.2
71.04987	3.1
73.02927	5.9
81.03433	24.2
81.07050	3.5
83.04980	1.8
85.02917	100.0
87.00843	50.9
93.07042	3.0
95.08611	3.2
97.02904	39.5
97.06525	3.5
98.20771	4.0
99.04459	13.1
105.01885	79.3
105.07056	2.0
106.53078	1.6
107.05000	1.5
107.08588	2.0
108.04506	2.5
109.02206	2.4
109.02901	22.6
109.10140	2.3
111.11732	4.9
113.01566	1.6
117.01859	2.6
120.08112	3.8
127.03930	67.2
129.01860	3.9
131.08614	2.1
145.03903	2.7
145.04979	36.0
147.02815	2.8
147.04475	2.6
159.02942	12.7
159.09175	3.4
177.34215	1.7
189.03976	3.7
191.07056	2.4
192.07776	3.3
203.06960	3.5
205.10294	1.8
213.03763	2.1
213.09216	3.9
219.13776	2.1
231.05040	21.0
249.06032	7.2
256.13150	1.9
288.07031	1.7
366.14175	6.3
394.13495	5.6
394.34744	2.6
395.14966	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	394.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
55.01874	9.4
55.05503	15.8
56.96575	6.5
57.03434	9.5
57.07070	3.9
61.02919	7.8
67.05503	16.0
69.03439	42.9
69.06721	5.8
69.07075	87.3
70.06579	12.1
70.54742	3.8
70.55083	9.0
71.04990	9.5
73.02920	7.2
79.05495	16.8
81.03432	27.8
81.06236	3.2
81.07068	40.5
83.04977	4.3
83.08621	8.7
84.02691	3.5
85.02422	6.7
85.02912	100.0
85.06559	16.4
87.00832	35.2
91.05497	13.5
93.07048	21.4
95.04992	4.4
95.08614	61.1
97.02897	35.5
97.06531	18.4
99.04463	15.5
99.08089	9.4
105.01888	32.3
105.07034	17.8
107.08585	15.6
109.02887	30.0
109.10162	12.4
111.04470	3.2
111.08080	13.2
111.11738	16.4
119.08647	19.9
119.09360	3.2
121.06503	4.4
121.10146	10.9
123.08054	6.8
123.11715	5.0
123.30878	3.2
125.09594	3.9
127.03937	50.2
127.11180	5.1
129.12746	9.4
131.08580	4.1
133.10117	19.7
134.04486	12.8
135.11664	17.0
137.05998	4.8
137.09595	4.4
137.13255	10.4
139.07590	4.1
141.12750	7.5
145.04968	27.6
147.04448	4.3
151.11110	3.9
159.02910	16.1
159.07993	4.6
161.09599	4.2
161.13268	64.3
163.03838	4.5
173.13214	3.5
179.10756	5.5
179.14322	74.5
189.03914	4.1
191.07025	4.5
192.07790	7.5
197.15367	27.4
203.07072	6.8
213.09117	10.9
215.16396	4.4
219.13806	7.4
231.05040	8.8
244.22859	4.6
267.50635	4.0
278.43390	3.5
306.40750	3.7
323.14856	20.1
366.14307	22.8
368.95102	3.8
385.92618	3.9
394.13687	15.9
394.26419	19.5
394.31064	7.0
395.14935	16.1
395.24387	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	395.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.2
55.36684	1.8
57.07082	18.2
64.03793	2.5
64.48037	2.1
67.05511	25.4
69.07069	26.2
69.27560	19.8
71.08640	13.3
79.05496	15.4
81.07063	56.8
83.08632	14.7
85.10186	8.7
91.05484	26.6
93.07057	19.3
95.04947	2.9
95.08612	37.4
97.10150	10.8
105.07037	36.3
107.08598	20.6
109.10166	19.9
111.11714	7.6
115.05481	3.0
117.07019	16.8
119.08594	16.1
121.10172	9.6
123.11704	8.4
125.13305	3.6
129.07018	4.3
130.07809	3.0
131.08566	19.4
133.10146	32.0
135.11729	7.0
137.13289	6.0
139.93031	2.2
143.08606	6.4
145.10132	56.2
147.11682	25.0
149.13342	4.8
151.14873	2.3
157.10164	6.7
159.11693	43.1
161.13261	8.0
163.14900	3.1
167.09697	2.3
171.11685	5.0
171.62097	2.2
173.13280	13.6
175.14742	2.9
185.13264	7.9
187.14899	3.8
192.07860	2.7
199.14886	7.2
201.16403	4.7
213.09209	4.1
213.16409	7.3
227.17847	3.4
241.19656	4.6
255.21178	5.0
260.64908	2.6
289.28766	2.5
395.14832	6.2
395.36768	100.0
396.37259	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	397.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37213	0.4
53.71872	0.5
55.80317	0.4
56.96570	1.0
57.41793	0.4
70.06588	0.6
71.17394	0.9
98.97585	0.6
110.15656	0.4
111.63953	0.4
120.08138	0.8
140.00235	1.2
158.01262	1.3
176.02240	0.5
183.38443	0.4
203.05307	0.7
204.01823	0.7
282.41336	0.5
299.09335	1.1
299.26364	0.4
317.10251	2.8
343.35880	0.5
379.10349	0.7
397.11072	100.0
398.11331	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	397.1285
Annotation	Artonin L
Peak:m/z	Relative Intensity
53.03936	0.4
55.01865	1.1
56.96590	0.4
58.35188	0.2
65.03934	0.4
67.01856	0.3
67.05508	0.4
68.99792	2.0
69.03426	0.9
69.07059	0.3
70.06579	0.5
70.77962	0.2
70.80937	0.2
71.55002	0.3
73.34921	0.3
81.03418	0.7
85.02895	0.5
87.85144	0.2
91.05489	0.3
93.07048	0.4
95.04981	0.7
97.02917	0.3
97.06531	0.6
99.04436	0.6
103.05452	0.3
103.57435	0.2
105.07032	0.7
107.04948	0.6
108.02107	0.3
109.02889	0.6
111.04456	1.1
115.05469	0.6
117.06998	0.3
121.02869	0.5
123.04456	1.7
124.01579	1.7
125.02347	0.9
126.63745	0.2
127.03928	0.5
128.06258	0.6
129.07002	0.8
131.05028	0.3
131.08536	0.3
131.76404	0.2
132.82932	0.3
137.02336	0.8
137.06000	1.0
137.09616	0.3
139.03911	2.6
139.53381	0.2
141.05460	0.9
141.06955	0.7
142.07867	0.4
143.04987	0.4
143.08575	0.5
145.02887	0.3
145.06453	0.5
147.04456	0.8
149.02266	0.4
151.03929	0.8
152.01068	2.4
152.06248	0.4
153.01826	2.3
153.05478	3.0
153.07042	0.7
155.08572	2.0
157.06490	0.6
160.05205	1.1
161.05974	1.5
163.03868	0.5
165.07004	0.9
167.03415	57.2
167.08601	0.7
168.03761	0.5
168.05707	0.4
169.04999	5.4
169.06445	0.4
170.02202	1.2
171.04411	1.8
171.07977	0.4
173.06013	3.0
173.09712	0.3
174.06726	0.5
175.07573	0.6
177.05409	0.4
179.03436	0.8
179.07191	0.3
179.08620	0.4
180.04137	0.9
181.04973	1.1
181.06491	0.5
183.08081	1.1
184.05199	0.4
185.05998	0.8
185.09616	0.7
186.06738	1.7
187.03941	0.3
187.07629	1.3
189.01974	0.4
189.09193	0.5
193.04962	0.4
195.08086	0.7
197.05992	0.7
197.09619	0.4
198.06819	0.5
199.03903	0.6
200.04761	1.1
201.05424	0.8
201.09125	9.5
209.06041	0.3
210.06718	0.4
211.07597	1.6
212.08369	0.4
213.05388	0.5
213.09184	0.7
214.06366	0.3
215.07033	0.5
217.04974	0.4
223.07587	0.4
225.09201	1.3
227.07036	0.6
229.04991	0.5
229.08611	6.4
234.06894	0.3
237.05569	0.4
239.07082	0.9
249.09297	0.3
250.06300	0.9
251.07079	0.8
251.10661	0.3
252.04050	0.4
253.08632	0.8
257.08170	1.1
263.07031	0.5
265.04944	0.4
266.05710	0.4
273.11472	0.5
279.06577	0.8
281.04456	0.5
281.08029	0.5
282.05304	1.0
283.06018	0.3
290.05789	0.6
291.06461	0.3
291.10144	0.6
292.07379	0.5
293.08264	0.5
294.05267	1.2
295.05981	1.6
296.06781	0.3
297.03979	4.7
297.07208	0.4
298.04752	1.2
299.05612	0.6
300.06375	0.5
303.06601	0.8
307.06015	2.1
308.06885	0.6
309.04242	0.4
309.07663	0.7
309.11145	0.3
310.04730	19.4
311.05481	2.0
312.06317	4.4
313.07089	1.6
318.05319	0.5
319.06058	0.9
319.09528	0.4
320.07040	1.3
321.07599	4.5
322.08365	1.7
323.05521	47.2
324.06116	2.1
325.07083	39.5
326.07526	0.7
327.08597	1.0
336.09894	0.7
337.07095	5.2
337.10822	1.2
338.07858	16.0
339.08701	1.6
339.12280	0.3
340.09360	2.1
341.10373	0.5
349.07004	0.5
351.08539	0.5
351.12326	1.6
353.10226	70.0
354.10416	1.3
365.10339	0.3
369.13321	0.9
379.11768	1.4
397.12851	100.0
398.13037	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	397.1285
Annotation	8-C-Methylvelloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.05489	0.3
56.66030	0.3
67.05489	0.3
69.07052	0.5
70.79089	0.6
79.05504	0.4
83.04985	0.8
91.92877	0.3
93.08052	0.3
97.06519	1.3
98.97572	0.3
119.08627	0.3
123.79707	0.3
125.29788	0.4
146.87703	0.3
147.04463	0.5
151.93625	0.3
153.01828	5.7
167.03398	1.0
177.05383	0.4
192.04488	0.3
228.04190	1.1
229.04980	3.9
241.05005	0.4
242.05801	0.5
243.06537	2.8
251.06943	0.4
256.03683	3.8
257.04477	2.5
258.14011	0.4
269.08054	0.4
270.05283	1.9
271.06009	17.4
272.06790	7.4
283.05975	0.6
284.03210	0.5
285.04163	0.7
285.07599	1.4
286.04764	3.3
286.08371	1.0
295.06122	0.7
296.06802	0.3
297.03986	0.7
298.04797	2.4
299.05502	3.7
300.06296	17.2
301.07043	4.0
305.08514	0.3
307.06131	0.4
307.09708	0.6
308.06799	0.3
309.07361	0.4
310.04639	4.2
311.05423	1.0
312.06259	0.6
313.07050	4.1
314.07849	2.4
321.07660	0.6
323.05545	2.3
323.09088	0.6
324.06348	0.4
325.07074	14.2
326.04239	0.4
327.04947	0.7
335.09238	0.5
336.09839	0.4
337.06958	0.7
337.10687	0.4
338.07809	0.7
339.05017	0.6
339.08685	1.2
349.07077	3.3
350.04236	0.5
351.08588	0.9
351.12326	0.9
353.06451	0.8
353.10306	2.6
354.11038	1.0
363.08575	1.2
364.09421	3.1
369.08691	0.7
369.13342	13.8
379.11880	6.0
397.12845	100.0
398.13205	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	397.1286
Annotation	8-C-Methylvelloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
52.47525	0.4
56.90734	0.5
62.42849	0.5
68.44980	0.5
68.99784	0.6
70.99265	0.9
79.05511	0.5
88.87003	0.4
97.06551	3.1
121.93121	0.5
122.94891	0.4
123.04455	0.8
124.01537	0.7
134.73952	0.5
139.03894	0.9
143.08565	1.0
147.04353	0.8
152.01035	1.4
153.01843	2.9
153.05455	3.6
153.06563	0.6
155.08604	0.9
161.05974	0.8
164.48164	0.4
167.03418	35.7
169.04994	0.8
169.06474	0.7
170.02104	0.7
171.08130	0.6
173.06023	2.0
177.05467	0.6
181.08650	2.4
187.07579	0.7
201.09116	2.4
211.07585	0.6
229.04880	2.9
229.08659	1.3
231.09996	0.5
256.03711	1.3
257.04385	1.0
265.04956	2.2
271.06036	5.8
272.06812	3.7
279.06696	0.6
281.04800	0.7
282.05383	1.1
286.04678	2.0
293.04449	0.7
294.05359	1.6
295.06033	1.2
297.03928	1.7
297.07260	0.6
298.04776	0.8
300.06314	9.6
301.07022	2.3
307.06021	1.0
310.04807	8.1
311.05530	5.6
312.06366	1.4
313.06967	1.0
321.03955	1.1
321.07556	1.1
322.04758	0.6
323.05518	10.6
323.09082	0.8
325.07111	17.6
325.11017	0.8
337.07086	2.5
338.07840	3.6
340.09521	0.8
341.06570	1.0
351.12234	0.7
353.10226	14.3
354.10391	0.6
369.13351	12.7
369.17786	1.0
379.11905	0.6
397.12866	100.0
398.13306	1.9
418.51053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1286
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
52.54775	0.4
63.02361	0.7
65.03934	1.0
67.05512	0.5
69.07058	0.5
70.98888	1.0
70.99226	0.4
79.05479	0.9
83.51102	0.4
89.03419	0.6
89.03926	8.2
91.05490	14.8
97.06541	2.9
106.04144	0.7
117.03391	24.9
119.04952	31.2
134.03609	1.6
135.04433	0.8
145.02861	52.4
146.03267	0.7
147.04422	100.0
148.04750	0.7
149.05991	6.9
153.01854	1.4
163.03952	0.8
177.05482	71.3
178.05881	0.7
186.05507	1.0
221.08176	0.7
246.80055	0.5
251.09285	0.8
256.03763	1.4
257.04474	0.4
271.06070	5.6
272.06998	1.0
286.04800	2.2
300.06366	1.8
301.07150	1.7
313.07089	13.4
341.06659	0.6
369.09912	1.5
397.13019	51.6
398.13458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01879	0.6
55.05504	0.5
56.96570	0.3
57.03442	0.8
61.02952	0.4
65.03941	2.0
68.99797	0.7
69.03439	3.7
69.97742	1.5
71.04995	1.1
79.05499	0.4
80.52519	0.3
81.03426	5.4
83.04998	0.5
85.02912	10.0
91.05491	58.7
92.05828	0.5
92.18456	0.3
93.07017	0.4
93.17793	0.3
95.04978	0.4
97.02903	1.6
97.06558	0.8
99.04463	4.6
103.03958	6.8
105.07050	2.3
107.05036	0.3
109.02890	4.8
109.10171	0.5
111.04440	1.0
115.05447	0.7
117.07060	0.3
117.22900	0.3
119.08594	0.4
121.27972	0.3
123.04479	0.5
124.01598	0.5
125.05965	0.4
127.03934	14.1
128.06252	1.0
129.07033	1.2
131.04938	0.3
133.10167	0.9
136.62036	0.3
139.03912	0.7
141.05499	0.6
141.06984	0.4
143.04948	1.0
143.08540	2.0
145.04996	2.0
147.04466	1.1
149.02313	0.3
152.01064	1.3
152.06209	0.6
153.01851	4.0
153.05478	3.8
153.06668	0.5
155.08553	0.8
157.06558	0.4
157.10124	0.6
159.04410	0.6
159.08046	0.4
160.05174	0.4
161.06012	1.1
167.03415	38.6
168.03745	0.5
169.06506	0.5
170.02119	0.7
171.04491	0.5
171.08058	1.8
173.06026	2.2
174.06653	0.3
175.01842	0.3
175.07617	0.5
176.04758	0.4
177.05525	0.5
179.03465	0.5
181.08614	3.0
181.11227	0.3
183.08153	0.4
187.06039	1.5
187.07567	0.7
189.05495	1.0
189.09073	0.7
193.04977	0.4
197.06029	0.4
199.07532	1.7
201.09143	1.2
202.09923	1.1
211.07558	0.7
213.05385	0.7
213.09097	0.4
217.08652	0.9
217.12294	2.1
229.05013	3.2
235.13321	3.1
237.05582	0.5
257.04462	1.6
257.08115	0.5
261.05438	0.3
265.05005	3.8
266.05856	0.4
272.06812	5.3
279.06461	0.6
281.04465	0.5
282.05313	0.9
283.06015	0.9
284.41003	0.3
285.07440	0.6
293.04501	1.3
293.07928	0.4
294.05164	1.0
295.06076	0.6
297.04095	0.6
297.07565	0.8
298.04831	0.6
300.06299	10.4
301.07037	0.6
307.06009	0.6
308.06696	0.4
309.04071	0.6
309.07391	0.6
310.04764	7.2
311.05527	8.2
312.06055	0.7
313.07080	1.3
321.03940	1.7
321.07446	0.7
322.04749	0.9
323.05579	3.4
323.09140	0.7
324.06491	0.6
325.07098	16.9
326.04178	0.4
326.07660	0.7
335.09299	0.7
337.07291	2.2
337.10834	0.6
338.07919	1.1
339.08691	0.5
341.06674	1.5
349.07184	0.4
351.12469	0.4
353.10294	3.7
365.10446	0.4
369.13364	21.2
370.13748	0.7
379.11859	2.6
386.11951	0.4
397.12869	100.0
398.13147	4.7
399.73532	0.3
415.07019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19270	3.9
55.05509	20.0
57.07070	26.2
67.05508	52.1
69.07077	40.2
70.67110	7.9
70.67445	10.4
71.08624	21.1
79.05502	31.4
81.07069	84.2
83.08624	21.2
85.10196	13.6
91.05491	33.1
93.07044	43.3
94.14558	4.6
95.08617	69.2
97.10164	17.1
105.07040	57.5
107.08597	38.3
109.10171	50.4
111.11709	6.9
116.57355	5.0
119.08605	54.6
121.10183	23.3
123.11721	14.6
131.08582	6.1
133.10100	22.9
135.11679	46.3
137.13232	8.0
140.76105	4.9
145.10129	14.6
147.11700	86.9
149.13292	24.1
159.11752	12.3
161.13263	57.9
163.14807	11.5
173.13297	8.4
173.53963	5.9
175.14825	24.9
177.16393	5.3
187.14861	7.5
189.16414	14.8
201.16431	11.7
203.18001	10.0
215.18004	10.1
222.50810	4.5
229.19531	7.1
243.21219	5.5
257.22687	10.5
273.29761	5.0
315.30612	5.4
385.06247	5.5
397.12903	6.4
397.38367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14025	2.9
53.03941	4.7
55.01863	3.4
56.00000	2.6
56.96571	5.5
57.03437	5.4
60.58304	2.7
67.05517	2.8
69.03423	13.6
69.60209	2.9
69.60555	18.7
70.06595	4.5
71.05003	3.7
81.03414	14.8
85.02914	79.9
86.13041	3.1
88.43102	3.0
91.05514	3.0
97.02914	20.1
97.06541	2.6
98.97547	2.6
99.04462	43.3
103.03955	78.7
107.04961	20.1
108.05303	11.0
109.02908	13.3
127.03931	100.0
145.04977	60.7
147.04402	5.7
152.99638	2.8
163.06038	40.8
167.03415	3.6
187.06029	3.5
189.05457	9.1
190.05777	11.2
205.07060	4.7
208.08411	3.6
218.05238	4.0
235.07414	6.3
236.07932	6.2
248.08005	3.4
248.74767	2.7
264.07455	6.5
268.10315	2.9
271.08139	4.5
278.08994	4.7
292.09015	6.1
296.09967	8.1
307.10175	7.3
320.84473	3.0
323.08954	5.6
324.09540	16.9
326.07468	7.8
398.13123	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
55.01871	7.9
56.96554	2.6
57.03431	7.2
57.07074	8.3
59.05005	55.6
61.02928	5.1
62.77367	2.1
66.52349	2.3
67.05492	2.7
68.99778	3.5
69.03433	40.4
69.07058	3.0
69.68791	2.1
69.76807	2.2
70.06581	3.7
71.05001	3.1
71.29073	2.1
71.55356	2.6
73.02921	5.9
75.01224	2.8
79.05506	4.3
81.03426	23.1
81.07123	2.9
84.08156	2.6
84.51050	2.0
85.02910	100.0
87.00835	55.7
93.07037	2.6
97.02898	37.0
97.06536	6.8
98.97610	3.4
99.04452	8.2
105.01877	68.6
109.02886	26.0
115.11221	13.8
117.01894	3.5
121.46944	2.3
127.03926	62.1
133.12268	7.3
145.04970	22.0
147.02826	2.3
147.04456	2.9
159.02901	11.2
167.03365	2.6
182.05006	9.4
213.03970	5.0
231.05000	11.5
249.06088	5.4
266.10693	8.6
271.05988	2.7
272.06412	8.2
301.06845	3.0
311.04819	2.4
326.07352	3.9
398.13110	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74241	18.7
70.74590	28.4
78.38644	13.4
79.24107	12.8
79.46935	11.0
81.18549	12.4
87.30589	13.2
94.27250	11.6
95.60629	12.9
97.02888	58.9
102.05551	29.9
136.06198	100.0
219.53334	13.3
250.09291	92.5
291.14148	13.2
385.76453	14.0
391.89401	15.3
399.06693	28.9
419.12897	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	399.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99332	19.8
56.96567	60.8
70.06593	56.6
70.10305	34.2
70.10719	70.8
71.08637	33.3
84.08170	25.9
85.02909	22.5
85.10176	22.3
96.62255	17.7
97.02897	31.6
98.97588	100.0
101.06051	24.5
110.97566	25.4
116.98612	32.2
128.98596	42.0
136.06146	40.1
141.41899	19.4
161.10049	19.6
219.01788	48.7
237.02869	79.2
240.04172	20.8
250.09302	45.5
273.02774	30.9
291.04132	20.5
399.06552	24.4
399.12149	31.3
417.07190	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1079
Annotation	Dihydro-NAME
Peak:m/z	Relative Intensity
53.03942	1.0
55.05494	2.9
56.96554	1.4
57.03445	6.5
67.01855	1.9
67.05515	1.2
68.99808	4.4
69.00134	0.8
69.03419	1.7
73.06451	0.7
79.05484	2.5
81.03426	1.2
81.07040	2.1
81.72555	1.1
85.02913	1.8
91.05484	1.8
93.07034	1.5
95.08594	1.6
97.02874	2.3
97.06524	1.9
105.07010	1.7
109.02923	1.3
111.00811	1.6
111.04437	1.1
115.05518	0.9
117.06930	0.9
121.02921	2.0
125.77718	1.0
127.03917	1.4
129.06950	1.2
133.10115	1.7
143.04892	1.4
147.04402	2.4
153.01843	27.9
153.07016	1.7
155.08553	3.0
165.06993	1.6
167.03453	6.6
171.03026	1.3
171.04439	1.0
173.06015	3.9
181.06487	2.3
183.08034	2.5
185.06017	1.8
186.06660	1.2
187.03906	1.0
189.01788	3.0
201.09122	2.4
203.03416	1.7
207.02975	1.6
209.05917	1.4
211.07564	3.4
213.05469	3.8
217.04880	1.5
224.04578	1.6
227.06918	2.0
229.08417	1.0
234.73302	0.9
237.05447	2.7
241.04980	1.3
242.05614	1.8
251.06956	2.9
252.04254	1.7
253.04912	1.1
255.06516	4.3
265.04883	4.3
266.05698	1.4
269.07916	1.6
278.05527	1.3
279.06494	4.4
281.04431	2.1
282.05212	3.9
283.05981	1.9
286.04684	1.1
289.08719	1.2
293.04492	1.3
295.05963	3.9
297.03900	13.9
297.07550	2.8
298.04822	11.7
299.05338	1.7
302.06058	1.6
303.06738	1.1
307.05969	4.7
310.04776	15.2
311.05508	21.2
311.08875	0.8
317.07999	2.8
319.02646	2.0
319.06110	3.1
323.05579	12.1
324.06323	20.4
325.07083	88.1
326.04150	2.7
326.07492	2.3
327.04782	5.5
334.04858	1.2
335.09039	1.5
337.07132	6.9
339.05029	36.0
339.08636	1.8
340.05267	1.8
345.07562	2.6
347.05423	3.4
348.06378	7.9
353.10342	6.0
355.30908	1.0
363.08530	12.5
381.09714	100.0
382.10172	2.8
399.10806	19.3
399.26724	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	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01867	1.6
55.02967	0.6
55.05507	1.4
56.05035	1.0
56.96562	1.0
57.03226	0.7
57.03442	6.7
59.29456	0.7
61.02922	2.6
63.78024	0.8
65.39600	0.6
65.99273	0.7
69.03136	0.7
69.03442	9.5
69.07061	0.9
69.49272	3.7
70.06596	7.6
71.04992	1.8
71.06934	0.9
71.08622	0.7
72.08157	1.3
73.02911	1.7
75.04477	1.3
79.05499	1.3
81.03406	4.9
81.07018	1.0
83.08624	1.2
84.08122	2.1
84.96020	0.7
85.02913	25.0
86.09711	3.6
87.04456	1.0
91.03947	0.9
91.05442	1.8
95.04958	1.4
97.02899	10.1
98.97616	3.9
99.04475	2.2
102.04669	1.3
103.03956	2.1
103.05482	51.0
105.07076	1.8
107.04966	1.7
107.08612	1.5
109.02876	5.1
112.07611	0.8
115.03976	0.8
116.98652	1.2
117.05505	1.2
120.08087	1.6
127.03927	8.2
129.05502	1.2
129.10248	1.5
130.04155	1.6
131.04942	100.0
132.05275	1.4
133.06465	1.2
136.07585	1.2
137.02429	0.7
140.49564	0.7
140.62054	0.7
145.04997	3.1
147.06589	0.7
148.05193	12.7
152.75021	0.7
153.12735	0.8
157.87766	0.8
160.05249	1.0
161.05971	4.1
163.07562	46.7
166.85808	0.9
167.07141	1.4
175.07639	1.0
177.00749	1.2
201.09151	2.4
228.06537	2.1
237.11049	0.7
237.28845	0.8
238.10425	0.8
245.05011	1.1
250.09364	1.5
257.61966	0.7
399.11880	1.2
399.16592	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66319	0.1
53.03928	0.1
55.01867	0.1
55.05513	1.7
56.05046	0.3
56.96573	0.8
57.03434	0.2
57.05824	0.3
57.07083	1.4
58.06601	0.3
61.02925	0.4
67.05508	1.3
69.03427	0.2
69.07073	10.4
70.06593	0.2
71.04990	0.1
71.08616	0.1
71.95276	0.1
73.02933	0.3
73.06556	2.1
79.05499	0.5
81.07055	0.8
83.04998	0.9
83.08625	0.3
84.08154	1.0
85.02885	0.5
86.09711	100.0
87.09547	0.1
87.10023	0.6
88.07628	0.2
91.03966	0.3
91.05473	0.4
93.07052	0.5
95.04965	0.1
95.08604	0.6
97.02884	0.4
97.06557	0.1
97.10178	0.3
98.97582	0.3
101.02395	0.1
102.09171	0.2
105.06995	0.2
107.08593	0.4
109.06533	0.2
109.10159	0.7
111.08083	0.1
112.07620	1.2
117.07004	0.1
118.08659	0.3
119.08633	0.2
121.10136	0.3
121.50443	0.1
125.09616	0.3
126.12799	0.2
130.08658	0.2
131.08594	0.1
132.10193	0.2
133.10172	0.2
135.11678	0.1
140.14409	0.1
145.10092	0.1
157.10126	0.1
168.13860	1.2
173.04843	0.1
186.14903	64.6
187.15227	0.9
189.11249	0.2
214.14397	13.4
215.14668	0.3
225.07921	0.1
227.12677	0.1
229.07361	0.3
229.46602	0.1
232.15430	0.2
239.05878	0.1
239.09598	0.2
241.07516	0.2
243.09067	1.0
251.08638	0.2
255.08946	0.2
257.06970	0.4
257.10721	0.2
259.08615	0.2
261.10175	0.7
266.10660	0.2
275.11612	0.2
283.08585	0.3
299.23236	0.4
301.09555	0.5
302.10141	0.1
314.19608	1.8
317.17996	0.5
324.11353	0.1
335.19040	0.2
335.25815	0.3
338.34140	0.3
343.12875	0.2
375.12708	0.1
399.23965	0.2
399.28476	2.3
400.28860	0.1
400.37863	0.8
419.89453	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	399.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
57.07057	4.9
67.05489	4.8
69.07050	7.2
69.31637	1.5
71.08642	8.5
71.55318	2.4
77.64530	1.5
79.05492	10.1
81.07067	17.1
83.05006	7.8
83.08623	3.7
85.10194	3.6
91.05479	4.6
93.07034	6.7
95.08605	10.3
95.18083	1.8
97.06535	87.4
97.10144	3.4
101.05994	3.0
105.07014	5.9
107.08588	6.8
109.06519	100.0
109.10162	4.9
111.04421	1.7
117.01785	1.5
119.08577	4.7
121.10155	3.6
123.08081	10.2
123.11676	2.1
123.53828	1.7
129.05457	2.4
131.08577	2.2
133.10150	3.6
135.11681	3.3
137.09663	1.5
145.10095	4.9
147.11662	3.6
149.13260	4.4
153.53947	1.4
159.11700	3.9
161.13306	1.8
163.11182	2.8
163.14824	2.4
173.13297	2.1
209.24995	1.8
213.16328	2.9
241.19556	2.0
381.35199	7.7
399.31033	8.6
399.36194	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1233
Annotation	Sophoronol B
Peak:m/z	Relative Intensity
55.05495	1.8
57.03411	2.0
61.17413	1.6
65.03936	3.6
65.59500	1.7
66.16386	1.7
70.49380	1.8
70.56185	2.9
77.57732	2.1
89.03907	9.2
91.05488	20.6
96.31567	2.0
98.21388	2.1
107.04949	3.8
117.03374	14.8
117.05499	2.5
119.04948	33.5
135.04407	23.4
145.02852	14.9
147.04422	100.0
148.04735	2.4
153.01906	2.1
163.03922	90.4
182.94232	1.8
221.08112	11.2
237.07674	9.1
239.07104	3.6
257.04434	9.0
258.05081	2.6
285.07523	3.1
286.04837	3.1
287.05524	6.9
383.11246	20.9
401.12460	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	401.1234
Annotation	Piscerisoflavone A
Peak:m/z	Relative Intensity
53.11877	0.4
57.07032	0.5
67.01830	0.6
67.05479	0.4
69.07028	0.8
71.03376	0.8
71.38435	0.3
79.05434	1.0
81.07008	0.6
91.05431	0.7
93.72363	0.4
97.06475	1.7
105.06956	0.7
107.04918	0.4
107.08553	0.5
107.68713	0.4
107.69453	0.3
109.10113	0.4
135.04353	0.8
153.01833	12.5
167.07069	0.5
182.15341	0.8
184.16899	1.6
185.17291	0.8
187.07565	2.6
189.05426	1.6
200.16452	0.9
201.16788	0.6
203.03319	1.2
226.70277	0.4
229.04959	2.0
229.06999	0.5
236.58597	0.3
242.05670	0.6
250.48933	0.4
255.06523	0.5
257.04474	37.6
258.05209	8.9
269.04346	0.6
270.05127	0.5
279.86612	0.4
279.89960	0.4
282.05289	2.1
283.05872	1.2
286.04752	15.6
287.05508	23.1
288.05801	0.7
297.07703	0.7
311.05548	7.7
311.08948	0.8
313.07016	0.8
325.06949	0.7
339.08713	5.0
350.72461	0.4
383.11264	92.5
384.11609	3.7
400.35458	1.1
401.12332	100.0
401.35678	1.9
402.12698	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	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.4
58.38054	0.7
62.88454	0.8
65.03932	1.5
69.03437	1.8
70.06588	5.6
70.19456	3.2
72.08154	2.1
79.59349	1.1
84.08154	1.2
85.02906	2.0
86.09702	4.0
89.42943	0.7
91.05490	8.1
98.97626	1.3
107.04969	2.0
109.02859	1.1
110.07102	0.8
112.07574	0.9
116.07123	1.5
119.04956	21.4
123.00753	1.9
127.03922	1.6
129.10321	0.8
139.03879	1.0
147.04424	100.0
148.04750	1.9
153.56680	0.9
155.73668	0.9
163.03922	2.1
167.07027	5.4
167.10634	1.4
172.88324	0.9
177.05434	1.0
181.04979	7.7
193.14311	1.0
217.08537	0.9
269.08209	1.7
311.12680	1.1
315.08578	2.5
323.12924	0.9
330.10971	3.3
339.12332	1.2
343.11743	1.2
351.12299	1.8
383.15082	3.7
401.14508	1.4
401.18076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23443	5.0
55.01870	12.2
55.05523	78.3
56.96563	17.2
57.03421	5.4
60.26112	5.1
64.99329	6.2
69.03435	11.0
70.06599	26.8
70.65887	6.8
70.66192	8.1
73.02901	7.1
74.61015	5.0
83.08624	100.0
84.08199	6.4
85.02896	30.1
93.00118	11.6
97.02897	18.2
98.97594	13.6
101.09688	28.9
102.98572	9.5
110.97514	6.8
116.98621	5.5
120.99590	62.4
127.03987	10.2
129.10217	6.2
135.04424	5.5
136.06233	43.4
137.06631	9.3
139.00597	7.6
156.03046	5.7
163.13342	5.6
167.07019	5.9
181.04970	9.3
216.71365	5.8
229.55237	17.2
237.02776	6.5
239.05792	6.6
239.09509	95.1
245.05046	12.6
268.05157	7.7
269.10773	16.8
314.05585	6.5
401.04559	7.4
401.14478	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	401.1578
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
55.01866	1.3
55.05511	2.9
56.96561	3.1
61.48334	1.0
64.75651	0.9
65.03932	1.8
67.05502	2.6
69.03426	2.5
69.07065	2.2
70.06599	5.9
71.55177	1.2
72.08163	13.0
75.05619	1.2
79.05498	3.6
81.03413	3.7
81.07067	5.7
83.04984	2.2
84.04482	2.5
84.08115	1.8
84.96001	1.3
85.02898	3.3
86.09702	6.5
87.00822	1.0
91.05481	4.2
93.07031	1.9
95.04974	3.7
95.08620	2.8
97.02868	1.8
97.06555	1.1
98.97591	3.5
99.04445	1.7
103.05479	1.1
103.47163	1.1
105.07009	2.1
107.04948	3.4
107.08604	2.5
109.02879	2.1
109.10123	2.2
116.07108	3.7
116.98630	1.1
117.03363	1.1
119.04942	1.1
119.08570	2.1
121.02863	5.8
121.10159	1.5
123.04397	2.8
125.06100	1.1
127.03928	1.5
131.04909	2.0
131.08607	1.2
133.10127	1.3
135.11720	1.4
137.06038	1.5
139.11119	1.7
142.28123	1.2
143.11786	3.7
145.10147	1.1
149.06021	1.6
151.03899	4.5
151.07507	1.2
153.01857	2.6
159.08063	1.8
161.06010	1.7
163.03902	1.9
163.99841	1.1
167.07076	7.9
171.11327	1.8
177.05524	1.6
181.04988	6.6
181.06422	1.7
187.07571	1.7
191.07008	1.7
191.14293	1.7
201.05441	1.3
201.12660	1.1
203.03400	1.1
204.07664	2.7
205.08501	2.1
208.07281	2.0
213.00612	2.4
217.08539	1.6
219.08081	1.2
231.16982	3.0
237.02866	1.2
243.01860	1.7
243.87190	1.1
245.11369	2.4
249.11320	1.2
261.09171	1.6
263.17825	1.1
264.08035	1.5
265.08328	1.0
291.10410	1.5
307.09619	1.4
311.05405	2.6
315.08624	2.6
330.10968	2.2
334.36063	1.2
339.08624	3.3
351.12311	1.6
368.12820	1.4
369.13419	2.2
383.14841	6.1
401.15756	100.0
402.15570	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01873	3.2
55.05495	2.3
56.96559	6.1
57.04543	2.1
60.04510	1.8
65.03931	2.0
67.05505	3.0
69.03427	3.4
69.07067	2.7
70.06599	17.2
71.04986	2.9
71.54662	2.5
72.08167	21.4
78.04693	1.8
79.05500	15.5
81.03427	2.3
81.07034	5.3
83.04958	2.4
84.04517	2.9
84.08155	4.5
85.02909	7.2
86.09700	14.6
87.36499	1.7
89.36631	1.8
91.05475	8.3
93.07058	3.2
95.04968	5.8
97.02867	3.6
98.97596	8.2
103.05450	2.7
103.37907	2.1
105.03403	2.8
107.04971	36.2
107.08600	3.0
108.06422	2.0
109.06529	1.9
115.05489	3.6
116.06266	2.7
116.07081	3.0
116.98623	2.8
117.07030	2.1
120.08097	1.9
123.04431	4.3
124.05234	5.0
129.06993	5.1
131.04904	2.2
131.08562	8.7
134.03693	2.0
141.06981	6.1
143.11829	2.5
143.97530	2.1
144.05693	7.7
144.72437	1.8
145.06505	7.4
156.05693	9.0
157.06499	4.7
158.07307	2.6
159.08073	12.6
161.05981	3.7
163.03899	3.9
167.07060	93.5
169.06441	2.5
170.07312	2.0
172.05284	1.9
173.05965	5.5
175.41641	1.9
177.05301	2.6
178.07787	2.5
179.07161	3.9
179.08540	3.1
181.05016	17.5
181.08578	5.4
181.99780	1.9
184.05281	3.1
185.06746	4.7
185.16370	2.2
186.06836	4.4
187.07573	8.1
189.06941	3.1
189.08868	2.0
190.06274	3.1
190.07800	2.8
191.07019	3.7
191.08572	4.9
193.06493	2.6
201.09079	3.0
202.06282	5.6
202.07948	3.2
203.08572	5.3
205.08585	17.6
207.06506	6.7
208.05234	19.9
208.08745	4.4
209.06073	2.5
211.07553	5.1
215.08673	3.5
217.08617	25.1
218.07271	7.1
219.01881	4.2
219.08052	15.9
219.10138	4.9
220.08867	6.9
221.05917	8.8
222.03024	2.1
223.07341	2.1
225.05431	2.2
229.08710	9.6
230.07288	3.3
231.08081	15.3
232.08952	4.2
233.06059	4.9
233.09644	6.6
234.06682	2.5
235.07574	4.5
236.04791	4.8
236.08330	6.7
237.02817	2.4
237.09186	3.0
238.06160	2.6
239.06972	3.5
239.10663	2.1
240.04280	2.7
241.08405	5.0
245.09560	4.0
247.07516	20.1
247.09723	13.5
248.08350	17.2
249.05501	4.2
249.09149	5.6
250.06277	4.5
251.10628	4.7
254.05733	8.5
256.07272	3.0
259.07596	5.6
260.08267	4.4
261.05380	3.4
261.09171	5.6
262.06161	2.5
262.09946	5.6
263.07043	6.3
263.10706	12.7
264.07776	13.3
265.08633	8.2
267.06500	10.8
269.08157	19.3
271.09628	8.8
272.06808	4.8
275.07047	9.5
276.07874	12.1
276.10547	2.3
277.08716	6.3
278.05795	4.3
278.09317	3.3
279.06766	3.6
279.10193	13.9
280.10992	3.1
281.07898	3.4
282.05289	5.3
282.08865	16.2
285.07678	2.7
290.09381	7.7
291.10202	23.2
292.07413	9.6
292.10358	2.1
293.08090	12.0
293.11002	1.9
296.10513	3.4
299.09064	6.1
301.07104	5.2
305.08087	3.1
305.11563	2.1
307.06277	4.1
307.09534	16.7
307.15320	2.6
308.10361	6.3
309.10947	2.8
310.08417	10.7
311.12741	5.0
315.08655	65.9
315.14154	2.7
316.09311	2.6
317.09033	5.5
319.09552	12.7
321.07574	6.2
322.08350	2.7
322.12201	2.8
323.09283	3.0
323.12790	17.9
324.09882	2.8
325.10706	3.4
328.09381	6.9
330.10977	68.7
331.11792	10.1
335.09271	6.9
336.09927	6.0
337.07083	2.2
337.10522	9.4
339.12219	14.7
343.11819	25.5
351.12250	34.8
352.12924	2.8
353.10217	10.3
356.12540	3.3
357.15063	3.7
368.12534	15.6
369.13223	4.4
371.14899	7.7
380.47659	2.1
383.14908	100.0
384.15356	2.7
401.10077	3.4
401.15363	21.1
401.28632	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	401.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
53.61279	2.9
56.96566	5.0
58.28334	3.0
59.64170	2.7
65.30537	2.6
68.89375	2.5
69.03436	14.4
69.58813	15.3
70.06593	19.4
71.04987	2.9
72.08150	10.8
79.05500	13.5
81.03416	8.9
81.07059	5.0
84.04533	2.6
84.08134	4.4
85.02917	21.2
86.06051	10.6
86.09705	13.3
87.00835	7.0
91.05491	6.0
91.88393	2.6
94.47749	3.1
95.04987	7.0
95.08591	3.0
97.02904	15.8
97.06533	3.3
98.21476	5.9
98.97568	6.6
103.05450	4.0
105.01871	10.3
105.03404	4.0
105.07030	6.5
107.04968	32.0
107.08582	5.0
109.02894	6.4
109.06532	3.7
115.05388	4.0
116.06268	3.2
116.07076	5.1
117.06956	3.6
118.04204	2.6
119.04916	3.6
121.02891	2.8
121.06470	5.5
121.10135	3.6
123.04398	4.5
124.05220	9.3
127.03935	16.2
129.07019	5.5
130.04970	3.2
131.00139	3.1
131.08575	8.6
133.10118	13.2
135.08160	3.2
137.05972	3.7
141.07080	3.4
144.05701	10.3
145.04951	9.6
145.06473	7.6
147.04437	3.4
149.06105	3.4
151.03891	5.7
152.04662	4.7
156.05681	14.4
157.06575	4.8
158.07324	3.6
159.02919	4.6
159.08086	13.8
161.05986	3.5
165.07048	4.0
167.07056	95.8
173.05930	3.5
177.05470	6.2
179.07004	3.4
180.78217	3.2
181.05005	16.6
181.06300	3.3
186.06725	3.9
187.07547	8.0
189.07092	5.2
190.07755	3.6
191.08569	3.9
201.05464	4.1
202.07788	4.4
205.06766	3.2
205.08522	14.4
207.06412	4.3
207.08191	5.5
208.05241	13.5
208.08743	3.4
209.08258	3.5
210.06804	3.8
217.08516	25.9
218.07291	6.5
219.08066	25.2
219.10094	6.3
220.08835	6.7
221.05978	10.3
229.08572	8.3
231.04921	5.6
231.08060	9.2
232.08971	3.5
233.05965	4.7
233.09666	6.5
234.06793	5.3
234.10316	3.2
235.07536	5.9
236.04677	5.9
236.08389	6.3
237.02730	5.5
239.07083	4.9
246.06702	3.2
247.07706	18.7
247.09550	15.8
248.08319	17.8
249.05424	4.8
249.09138	6.2
251.10776	5.0
254.05733	7.9
260.08249	3.6
261.09161	6.5
262.09845	6.4
263.07092	5.8
263.10657	12.6
264.07846	12.0
265.08679	9.6
267.06567	8.7
269.08105	13.1
271.09769	7.0
273.09311	3.7
275.06992	8.8
276.07825	13.0
277.08545	7.1
279.10117	17.3
281.08121	5.6
282.05835	3.2
282.08875	12.5
289.08679	4.2
290.09311	5.8
291.06848	6.0
291.10147	19.6
292.07440	6.2
292.10657	3.5
293.08115	13.9
294.08646	4.0
295.09644	5.8
299.09164	8.7
301.06961	6.0
304.07361	3.2
305.08224	6.3
307.09583	17.2
308.10474	9.4
310.08319	6.1
311.12759	5.2
315.08643	43.9
319.09650	11.2
321.07593	7.3
323.09332	4.8
323.12823	15.2
330.11072	39.5
331.11688	12.1
336.09982	5.3
337.10773	8.6
338.07968	3.8
339.12296	18.4
343.11768	22.3
350.11502	3.7
351.12299	30.8
352.13162	4.7
353.10220	10.3
357.15173	7.1
368.12619	18.5
369.13705	3.4
383.14911	100.0
401.16614	12.7
411.18320	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09356	1.9
53.03946	4.2
55.01873	2.7
55.05526	3.6
65.83558	1.9
67.05490	5.7
69.03421	5.0
69.07055	4.5
71.09673	2.5
71.10008	3.5
78.04707	3.3
78.90219	1.9
79.05491	15.3
80.63489	1.9
81.03423	6.0
81.07083	12.2
85.02910	10.3
85.06564	2.5
91.05486	9.6
93.07027	6.6
95.04958	4.8
95.08617	4.8
96.15953	2.4
97.02909	3.4
97.06522	3.5
102.05501	2.0
105.07042	6.7
107.04970	32.5
107.08596	8.9
109.02891	2.5
109.06536	6.1
109.10175	3.9
111.08128	2.3
115.05447	5.4
115.14285	2.0
115.62643	2.3
116.06221	3.3
117.07028	5.7
119.08633	4.5
120.57033	2.1
121.06487	5.4
121.10201	2.3
122.03705	2.0
123.04457	7.5
124.05220	4.9
125.05979	3.6
127.03973	2.2
129.07018	9.1
131.04936	2.1
131.08611	11.5
132.05714	2.0
133.02898	2.4
133.06445	2.3
133.10129	3.7
135.08070	3.1
135.11739	11.1
137.05930	4.4
141.07010	4.2
144.05710	8.8
145.06503	6.5
145.10098	2.9
147.04420	3.0
147.11739	2.7
152.04703	3.0
153.12750	2.8
155.06029	2.5
156.05702	14.7
159.08089	15.7
161.05914	3.3
163.03958	3.8
165.07013	2.6
167.07066	100.0
173.05963	7.7
174.06677	2.2
175.07640	3.2
179.07037	3.7
181.05060	4.2
181.06500	2.4
181.08611	2.2
184.05205	4.0
186.06818	3.3
187.07553	9.0
189.05548	2.7
189.07138	2.5
189.09216	2.4
191.07072	4.3
191.08626	4.2
193.08626	3.0
195.06564	5.2
201.09111	2.7
202.06267	5.0
203.08669	3.1
204.07713	2.2
205.06732	3.8
205.08643	13.1
207.06525	5.7
208.05231	25.1
217.08615	34.2
218.07291	4.4
219.08081	12.6
219.09993	3.8
220.08791	4.4
221.06026	8.2
221.09653	4.3
229.08598	4.8
231.08029	10.9
231.10185	4.3
233.09605	6.4
235.07571	4.1
236.04742	9.0
236.08289	4.9
237.05339	2.7
239.07089	2.6
246.06792	2.4
247.07639	14.2
247.09671	16.3
248.08440	12.3
249.09074	3.3
251.10783	2.7
254.05869	8.0
255.06641	3.9
257.04593	3.0
259.07755	3.9
261.09109	7.2
262.10056	3.6
263.07147	3.5
263.10739	12.2
264.07751	6.8
265.08664	7.6
267.06543	8.9
268.03632	3.3
269.08099	22.4
270.08755	2.8
271.09674	9.0
272.06912	3.0
275.07043	8.0
276.07886	11.1
277.08633	4.7
279.10172	8.0
282.05655	3.3
282.08838	16.7
289.08621	3.1
290.09457	5.7
291.07260	2.6
291.10223	20.2
292.07419	7.0
292.10779	2.9
293.08093	11.7
294.08871	2.7
299.09171	6.0
300.06335	2.8
301.06979	3.0
305.08102	4.2
307.09689	11.9
308.10422	6.5
309.11221	3.3
310.08417	8.3
311.12891	3.7
315.08633	80.4
316.09219	2.9
319.09683	9.3
321.07806	3.9
321.11270	2.5
323.09155	4.0
323.12741	19.2
325.10852	4.9
328.09470	6.2
330.11008	91.9
331.11694	13.8
336.09909	4.5
337.10754	7.9
339.08643	2.6
339.12122	10.8
341.13882	2.5
343.11731	20.2
351.12329	26.8
353.10272	7.1
356.12570	4.4
368.12656	10.3
369.13318	6.0
371.14908	6.8
373.16263	2.9
383.14917	65.1
401.16412	15.0
401.20648	3.3
401.28751	5.3
402.20999	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	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01881	18.4
55.05497	6.6
57.03435	10.7
61.02920	9.4
65.03940	4.3
67.05518	34.4
68.99805	6.4
69.03442	46.2
69.07090	10.0
69.52239	23.3
70.06592	10.0
71.04992	9.6
77.09034	2.6
79.05504	34.4
81.02994	3.4
81.03432	45.0
81.07073	72.0
83.04977	16.5
85.02915	35.6
85.06543	5.7
86.09713	4.1
87.00847	23.8
87.04462	3.6
91.05487	30.6
93.07052	47.1
95.01337	7.8
95.04984	36.5
95.08633	16.7
97.02906	11.0
97.06520	8.9
98.97585	3.6
99.04453	16.8
103.03941	12.0
103.05453	4.6
105.01866	10.0
105.07042	41.7
105.92802	3.1
107.04969	14.7
107.08611	33.1
109.02886	11.3
109.06532	42.0
109.10164	19.1
111.04436	9.6
111.08123	4.9
113.06041	6.1
115.03992	7.7
115.05484	5.3
116.07096	9.2
117.07029	10.6
119.04955	3.5
119.07798	5.9
119.08599	81.5
121.06526	7.3
121.10160	21.0
123.04446	100.0
123.08072	9.1
123.11736	6.8
125.06039	10.4
127.03909	9.4
128.06245	4.5
129.01862	12.0
129.05510	4.1
129.07028	7.5
130.07813	2.8
131.08592	11.7
131.12723	3.7
133.10159	23.7
135.08070	8.2
135.11703	20.7
137.05948	7.3
137.09618	15.3
141.05482	10.4
141.06981	3.5
142.07791	12.4
143.08578	12.7
145.04977	5.1
145.06497	4.8
145.10136	40.7
147.02850	7.4
147.08063	5.6
147.11719	9.1
149.05980	6.6
149.13295	6.1
151.07576	25.4
151.11168	7.6
155.07059	5.6
155.08536	5.6
157.10164	22.3
158.07318	3.4
159.02951	5.0
159.08139	6.1
159.11716	24.5
163.07547	4.0
163.11182	9.2
167.07080	16.4
167.08423	3.1
169.10144	8.5
171.11710	7.3
175.11235	13.6
177.12779	6.9
179.07080	17.4
182.08131	3.4
183.11674	8.9
185.09607	3.2
187.07729	4.0
189.03981	8.7
189.12730	4.9
197.08145	11.5
197.13350	9.4
201.12762	8.2
207.11763	7.5
219.13846	7.6
225.12772	14.1
243.13887	14.5
245.11292	5.4
257.48639	3.3
261.14893	10.6
330.11105	9.3
351.12430	3.5
359.13950	3.7
365.15979	4.9
383.16666	9.0
401.15952	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31401	3.5
51.23944	2.6
53.03942	9.8
55.01876	14.8
55.05511	12.1
57.03431	6.4
61.02932	8.8
65.03938	5.5
67.05515	18.7
68.33178	3.5
68.99794	11.3
69.03437	36.6
69.07076	17.2
69.52325	22.3
70.06593	11.7
71.04991	10.0
72.08151	3.5
73.02909	4.9
73.06563	3.6
79.05503	24.8
81.03429	38.1
81.07068	47.3
83.04996	9.2
83.08627	6.7
84.04519	4.9
85.02914	55.9
86.09719	5.1
87.00835	24.6
91.05500	21.6
93.07065	27.1
95.01334	3.2
95.04965	22.0
95.08623	20.9
97.02890	19.1
97.06540	18.8
98.22997	2.8
99.04482	15.2
103.03933	6.0
105.01878	11.8
105.07040	22.5
107.04959	8.5
107.08616	34.0
109.02885	27.1
109.06526	21.6
109.10166	12.7
111.04396	5.9
111.08114	4.2
116.07126	7.0
117.07002	8.7
119.08591	36.1
120.08112	3.6
121.06543	5.6
121.10172	9.9
123.04439	45.7
123.08088	5.6
123.11615	3.6
125.05931	3.8
127.03959	24.4
129.01852	12.5
129.07004	6.2
131.08568	12.0
132.75357	2.8
133.10168	7.0
135.08078	6.7
135.11740	23.8
137.09650	4.9
137.13211	5.8
141.05492	7.4
141.07013	4.6
143.08641	3.8
145.04980	10.0
145.10127	16.4
147.02893	6.7
147.08076	4.3
147.11717	7.5
149.06000	6.1
149.13297	4.7
149.61490	3.1
151.07562	14.3
151.11223	4.9
153.01825	4.7
153.12761	18.0
155.07091	3.9
157.10170	8.3
159.02911	12.9
159.08054	6.5
159.11714	14.4
161.09711	3.9
163.03951	3.5
163.07713	4.2
163.09506	3.3
163.11206	5.7
165.01927	3.9
167.07077	10.6
169.10100	5.2
173.02373	4.2
173.09718	4.0
175.11194	8.2
177.12767	5.9
179.07033	11.0
189.12790	3.3
191.03395	5.5
191.07118	5.8
197.08060	7.4
197.13393	5.4
201.09178	4.0
201.12849	6.4
204.07582	5.7
205.08626	4.2
217.08701	3.6
219.02951	12.6
225.12930	4.6
237.03922	20.6
242.47359	2.8
243.13902	14.8
261.14963	10.4
291.10175	4.1
315.08585	5.9
330.11215	4.1
347.15341	4.8
383.16809	3.9
401.15799	100.0
402.15927	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	401.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.05515	10.3
56.85210	2.2
57.07098	2.7
59.04994	2.2
63.89195	2.1
65.03937	4.7
67.05513	24.1
69.07076	13.9
69.25111	16.2
69.25543	8.4
71.05004	13.3
77.03947	3.0
79.05508	25.6
81.07063	31.8
83.08609	4.8
91.05493	53.2
93.07050	50.7
95.04993	13.0
95.08613	20.3
97.06512	2.6
103.05478	5.4
105.07044	100.0
107.08614	48.0
109.06529	59.6
109.10178	18.0
111.08131	9.0
112.04807	2.5
115.05469	5.8
116.06258	3.9
117.07026	28.5
119.08595	92.9
121.10150	20.1
123.08096	6.2
123.11714	5.7
128.06204	14.7
129.07021	20.2
130.07811	11.9
131.08591	62.9
131.09508	2.6
133.10146	88.1
135.08072	15.3
135.11736	20.6
137.09634	7.0
141.07013	13.9
142.07813	31.7
143.08589	46.8
144.09361	10.7
145.10141	96.3
147.08076	6.8
147.11722	20.0
149.09625	7.3
150.33784	2.4
151.12202	2.5
153.07001	4.9
154.07811	3.3
155.08572	20.0
156.09361	16.5
157.10138	64.1
158.10899	15.2
159.08044	3.7
159.11700	33.9
161.13229	4.7
165.07018	6.9
167.08600	11.2
168.09340	8.4
169.10141	26.6
170.10931	9.8
171.11710	28.6
172.12489	3.6
173.13286	47.0
175.11217	5.3
175.14789	15.1
178.07915	3.5
179.08614	14.3
180.09373	4.7
181.10135	17.5
182.10918	9.5
183.11728	21.4
184.12421	3.0
185.13275	21.4
187.11420	2.8
187.14827	33.3
189.12746	4.2
191.08578	3.6
192.09317	5.6
193.10178	11.7
194.10951	9.8
195.11731	22.8
196.12413	5.0
196.92543	2.6
197.13348	19.0
199.14839	18.0
201.12772	8.8
201.16461	3.9
206.10989	9.8
207.11758	13.6
208.12439	4.0
209.13272	25.0
211.14827	10.5
213.12906	4.1
218.11058	3.2
219.11745	5.3
220.12396	6.3
221.13324	18.0
222.14142	5.4
223.14828	9.6
227.14308	3.7
231.11732	5.9
233.13219	5.0
235.14867	7.8
237.16370	7.4
239.17992	4.1
247.14769	4.9
249.16527	6.3
251.17981	7.0
252.18790	4.8
258.11053	2.6
261.16379	5.5
263.18060	3.2
265.19595	7.6
273.16412	5.1
275.17981	4.0
277.19687	4.1
287.18060	4.3
289.19516	2.6
343.24210	5.2
358.26682	3.0
373.93277	2.6
383.27371	3.6
401.28455	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	403.158
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
56.96561	0.7
58.40252	0.5
58.48523	0.5
67.08137	0.5
67.48315	0.4
68.99794	0.4
69.03440	0.7
70.06587	1.5
70.79721	0.7
70.80060	0.9
85.02958	0.8
86.09713	1.8
87.88998	0.5
87.89640	0.5
91.05480	0.7
98.97643	0.5
105.07066	0.5
107.04975	0.9
111.04446	0.8
131.04927	0.7
131.08582	0.6
137.09703	0.5
139.73764	0.5
147.04530	0.7
167.07054	1.1
181.04997	1.2
183.08083	0.5
185.04326	0.6
185.05992	0.8
187.07565	0.6
215.07153	0.5
231.06602	1.4
259.11639	1.8
300.03000	0.5
341.15790	7.5
343.13620	2.1
343.17569	0.7
403.15823	100.0
404.16095	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	403.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
56.96556	1.0
57.81191	0.8
69.07066	1.2
70.06605	2.1
71.54824	1.5
72.08132	1.5
79.05508	1.1
81.03407	1.5
84.04496	1.7
84.08153	1.5
85.02906	2.1
86.09716	1.2
90.19250	0.8
95.04958	1.2
109.06489	1.0
114.05521	1.4
124.49872	0.9
130.05032	0.9
131.08525	1.0
132.95863	1.4
137.06001	1.6
150.96918	0.8
158.97383	1.3
167.07066	2.6
167.84645	1.2
171.11726	1.0
172.30817	0.9
173.05988	1.0
181.04987	2.4
182.08182	1.7
198.96927	1.3
226.14490	2.0
234.99030	4.3
266.09604	1.0
299.14624	0.9
317.06927	2.7
317.15659	9.3
341.16327	0.9
341.20743	3.5
359.16754	44.6
360.17447	1.2
403.15790	100.0
404.16232	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	403.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01887	0.4
55.05513	9.1
56.05024	0.7
56.96558	1.7
57.05789	0.7
60.95686	0.4
61.02913	0.6
69.03422	1.4
69.03770	0.4
69.07068	0.8
70.06586	4.1
71.54263	0.5
72.08158	100.0
73.08504	0.6
75.76474	0.4
79.05500	0.8
81.03413	0.7
81.07058	0.5
83.06110	1.5
84.04505	5.3
84.08168	1.6
85.02917	1.8
86.09709	42.5
91.05496	1.2
93.07027	0.5
95.04950	0.6
97.02924	0.6
98.97593	2.2
102.05563	0.7
107.05029	0.5
107.08620	0.7
110.97617	0.5
116.07083	0.9
116.98649	1.1
119.04958	1.1
121.06542	0.6
127.03957	0.9
128.98674	0.8
129.06618	1.2
129.10265	0.7
131.04968	0.7
134.04520	0.9
137.06029	0.5
143.11800	27.2
144.06656	2.2
147.04399	1.1
158.99689	0.8
162.07628	2.5
167.07069	0.7
171.11301	16.1
171.12703	0.9
175.03999	1.4
175.11986	0.6
177.05637	1.3
181.05031	1.7
185.16513	0.9
196.14499	1.9
197.12936	1.7
201.12413	1.3
207.06512	2.5
214.15523	0.8
215.14030	0.6
219.06444	0.7
223.13358	0.7
225.07625	0.8
225.12402	0.7
225.15991	4.0
228.06596	1.5
233.11348	19.2
237.02873	1.1
270.18195	4.2
283.08545	0.5
317.09256	1.6
335.10205	0.7
343.10773	0.7
385.20734	1.1
403.10080	0.9
403.15561	1.8
403.20227	0.9
413.63419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00965	0.6
56.96574	12.5
61.58984	0.6
71.15477	1.3
71.95270	2.0
77.13436	0.7
79.04454	0.7
79.05497	1.0
81.07071	0.8
94.04192	2.1
98.97593	100.0
116.98637	42.8
122.03655	4.3
132.95065	0.7
134.99678	10.6
137.05994	36.7
140.00188	3.2
142.83969	0.6
158.01328	1.1
160.99083	1.1
173.92528	0.6
179.00200	1.5
180.00978	0.8
197.01207	1.4
208.10149	1.2
220.00526	2.2
224.09529	1.6
226.11153	17.1
226.13310	0.9
228.06696	0.7
235.02803	58.9
236.03081	1.0
238.01534	2.0
244.12234	7.3
253.03857	72.2
254.04091	0.7
267.13803	0.7
268.12222	3.1
271.05011	2.0
276.05447	6.2
280.12320	2.1
329.13049	1.1
341.00223	0.6
344.15372	7.1
362.16202	1.3
404.17487	58.9
405.17728	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	404.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90872	0.8
62.06094	100.0
66.21408	0.7
71.53828	0.9
78.34028	0.7
80.09991	0.6
91.03726	0.6
209.87560	0.7
227.23116	0.7
268.37415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74365	0.9
51.91954	0.9
53.03940	2.3
55.01873	1.9
55.05521	6.6
56.96563	4.9
57.03435	2.4
59.04999	3.0
60.04546	1.1
61.02905	1.0
67.05516	5.0
69.03451	4.9
69.07067	2.9
70.06605	6.3
71.04993	1.8
71.55040	1.8
72.08131	3.6
73.02895	1.2
74.06087	1.3
79.05484	4.1
81.03439	6.1
81.07068	5.1
83.04977	2.2
83.08618	3.1
84.04475	1.0
84.08144	2.3
84.96037	1.2
85.02918	16.7
85.06541	1.3
86.09721	6.8
87.00833	1.4
91.05485	9.8
93.07060	6.9
95.04970	3.1
95.08598	4.4
97.02898	5.5
97.06555	2.1
98.97591	10.8
99.04455	2.3
105.03421	2.0
105.07041	16.0
107.04969	1.8
107.08613	13.9
109.02882	2.8
109.06508	3.5
109.10168	2.2
110.06051	1.3
110.97595	1.1
111.04461	1.0
111.08066	1.5
114.03152	1.0
116.98627	3.4
117.07058	2.2
119.08595	18.9
120.08063	1.6
121.02863	2.5
121.06509	1.9
121.10155	12.3
123.08055	4.3
123.11732	7.7
124.07508	1.4
125.09620	2.5
126.09138	2.4
127.03925	4.2
128.06221	1.9
128.98621	1.2
129.07007	2.2
130.07715	1.2
131.00186	1.5
131.08583	11.5
133.10179	5.4
135.07101	1.9
135.08061	21.2
135.11685	3.1
137.09656	1.8
138.09189	5.8
139.11179	1.1
141.07001	2.1
142.07713	1.2
143.00076	1.5
143.08577	8.4
145.04877	1.2
145.10158	6.0
147.04425	1.6
147.08073	18.6
147.11703	17.0
149.01219	2.6
149.09641	9.8
156.03716	1.4
156.09322	13.2
156.10226	15.3
158.99684	3.1
159.08047	1.9
159.11752	1.7
161.09584	2.1
161.13315	6.9
163.11200	3.1
165.09119	2.5
165.12766	2.4
167.07083	1.7
171.11710	34.0
174.10526	1.9
175.08701	1.4
177.00650	1.7
177.05408	1.4
181.04985	1.9
183.06711	1.4
189.12775	25.2
191.14288	1.3
193.10133	1.3
193.12239	1.6
200.05771	1.2
201.00705	1.7
207.13828	100.0
208.14154	2.7
217.07011	1.0
219.01712	1.8
243.08905	4.8
245.06514	1.4
254.06967	1.2
261.05588	1.8
264.09387	6.0
264.59488	2.9
265.04935	1.1
279.06433	1.6
349.11520	1.1
404.14670	1.9
423.10028	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.05501	29.4
56.05033	8.6
56.96563	15.6
57.03434	7.3
64.11920	7.2
65.03946	8.1
67.05511	9.4
69.03429	24.7
69.07045	8.9
70.06591	50.9
70.85365	19.7
71.04984	8.3
72.08148	38.6
79.05494	12.4
81.03420	16.7
81.07051	15.4
83.08618	12.3
84.04504	14.1
84.08147	31.5
85.02907	56.3
86.09709	56.5
87.00820	15.6
87.04511	8.3
87.10015	10.7
91.05480	13.8
93.07051	9.1
95.04977	12.3
97.02892	38.6
97.06523	10.7
98.97585	14.4
99.04483	7.3
103.05464	7.8
105.01854	17.9
105.07050	17.8
107.08623	17.4
110.07152	8.5
111.04464	8.9
119.08578	25.8
121.06488	17.0
121.10106	18.7
123.11688	12.0
124.03931	9.5
127.03912	35.1
129.10271	16.0
131.08560	11.3
135.08057	23.3
137.02383	8.5
137.06006	8.6
137.12173	7.7
145.04948	9.7
145.10115	14.0
147.08051	21.4
147.11714	11.0
149.09628	11.8
156.09344	18.0
158.99586	9.7
167.07106	8.6
171.11696	40.6
173.05968	8.9
177.05515	13.2
181.04913	14.2
189.12775	27.4
197.11754	15.8
207.13783	100.0
219.01794	10.1
231.04958	11.0
243.12036	11.0
313.08142	20.0
331.09225	25.7
368.11148	8.1
404.15723	26.3
405.17319	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	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.5
55.05539	5.1
67.05524	6.5
69.03424	9.4
69.07070	6.9
70.06583	6.3
71.55200	4.9
73.36391	4.3
73.99242	4.3
77.42764	4.0
79.05481	5.5
81.07069	10.7
83.04989	7.5
84.04500	6.9
85.02929	31.6
86.09698	13.3
91.05506	11.0
93.07030	7.9
95.08609	8.4
97.02908	5.4
97.06538	5.7
98.97609	9.4
105.07049	8.2
107.08588	8.5
109.06532	12.6
110.71587	4.5
111.04472	6.0
111.08102	7.9
119.08601	13.0
120.08189	10.0
121.10130	22.7
123.11726	17.5
127.03925	5.9
131.24489	5.6
137.09613	25.2
147.11740	23.6
149.09552	5.9
151.03981	5.5
161.06050	5.8
161.13234	9.7
165.12779	100.0
167.07100	5.4
168.07344	5.9
169.50282	4.5
173.13338	5.5
174.10512	5.9
179.14380	10.5
181.05011	6.6
189.12793	16.6
207.13817	38.5
217.25900	4.3
225.10310	5.4
229.17627	4.5
239.08170	13.9
245.12889	19.4
250.67393	5.0
253.09691	6.6
257.09186	6.3
267.07764	6.1
271.10736	7.0
281.09143	9.2
289.12079	6.3
299.10257	18.6
309.08716	9.9
327.10004	23.0
345.10852	46.3
360.17056	34.4
373.10251	29.3
404.11765	4.7
404.16348	62.1
405.12985	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	405.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
56.54126	1.0
71.03536	1.6
85.02904	1.4
86.67988	1.0
95.76733	0.9
102.80344	1.0
103.03948	1.2
108.08099	1.4
114.58308	1.0
180.32318	0.9
181.05013	1.1
182.08281	1.2
183.09212	2.0
189.10242	2.9
197.07100	14.2
197.10712	1.1
198.07787	1.7
199.08665	3.3
210.07935	1.8
211.05106	1.3
211.08698	12.7
212.09302	1.3
213.10382	2.1
216.10089	1.1
225.06648	18.1
225.10184	11.9
226.07153	1.9
226.09056	1.3
227.08255	2.8
227.11763	3.0
228.10268	1.2
229.09856	1.5
235.08704	1.9
237.10275	1.4
239.04636	5.1
239.08188	33.0
240.08791	2.7
243.07686	3.4
243.11278	1.3
245.12880	24.0
253.05997	1.8
253.06798	1.5
253.09753	18.9
253.60004	1.1
254.10509	1.8
255.07648	4.0
255.11284	4.9
257.05469	1.4
257.09222	8.3
267.07690	19.7
268.08322	1.2
269.09250	1.4
271.10861	11.2
273.08560	1.0
275.10193	1.1
281.06012	1.6
281.09268	20.1
283.10822	2.6
285.08887	4.8
286.09604	1.5
289.11826	6.0
293.09192	3.5
297.08698	2.1
299.06870	2.5
299.10278	36.7
301.11823	3.3
309.08743	32.3
311.10373	5.0
313.08154	1.3
317.11395	2.5
327.09775	54.4
328.10168	1.2
329.11365	9.8
337.08255	2.9
345.10855	76.3
346.11203	1.9
355.09354	9.8
369.10928	1.1
373.10330	100.0
374.10556	2.3
387.11938	6.2
405.12854	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	405.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
56.66477	0.8
56.96572	1.2
60.59874	0.9
64.51387	0.9
67.05512	1.3
69.03436	1.3
70.06572	1.2
71.16586	1.4
79.05495	1.9
84.08105	1.1
85.02899	1.1
86.09711	2.1
93.07063	1.2
95.04964	1.1
97.06561	2.6
98.97562	1.4
105.07070	1.0
108.08129	1.8
111.04433	1.9
120.08133	1.9
121.02863	1.3
127.03933	1.5
133.10178	1.1
137.06030	1.5
139.11209	1.1
144.08072	1.0
149.37367	1.1
151.03874	1.2
167.07143	2.5
170.09630	1.2
181.05008	2.5
183.09192	1.8
184.07648	1.6
189.10277	2.6
197.07147	11.2
197.10794	2.1
198.07738	2.1
198.09337	2.1
199.08723	2.7
202.08803	1.6
209.07210	1.2
210.07820	2.0
211.08664	16.2
212.09480	2.4
213.10266	3.4
216.10136	1.6
223.08788	1.9
225.06619	16.2
225.10133	11.6
226.07193	1.4
227.08214	3.3
227.11804	2.4
228.10269	2.0
229.09732	1.4
235.08644	1.7
239.04512	2.7
239.08159	34.2
240.08934	2.1
241.09673	2.2
243.07573	2.3
245.09232	1.5
245.12856	36.8
253.06061	2.2
253.09753	22.8
254.10426	1.9
255.07623	2.2
255.11296	4.7
257.05588	2.6
257.09259	10.3
259.10257	1.2
263.08188	1.8
267.07642	14.8
268.08395	1.4
269.09143	1.3
271.08020	1.5
271.10840	12.4
273.08694	1.4
273.12408	1.1
275.10321	1.6
281.06122	2.2
281.09238	21.6
281.12234	2.2
283.10825	3.2
285.08841	4.9
289.11859	9.3
293.09155	2.4
295.07071	1.6
297.08636	2.3
299.07022	2.0
299.10269	41.6
301.11813	3.1
303.09796	1.1
308.01688	1.0
309.05145	1.7
309.08731	34.4
310.09457	1.0
311.10233	4.9
317.11575	4.9
327.09763	59.1
328.10464	1.3
329.11356	8.2
337.08276	3.0
345.10843	100.0
346.11096	2.0
355.09299	8.8
373.10339	74.9
374.10718	1.3
387.11777	4.5
405.12778	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.9
56.96572	5.0
68.05035	51.5
70.06600	90.7
70.71122	6.0
71.04990	4.2
72.08152	12.1
72.94211	2.1
74.06075	4.0
76.63387	2.4
84.04509	52.9
84.08135	12.6
85.02926	11.9
86.09708	21.3
96.03894	4.6
96.04494	70.5
97.06531	2.3
98.06034	5.3
98.97570	7.2
99.04465	13.2
103.03953	5.4
109.02863	2.6
114.05538	78.5
116.06339	4.1
116.07106	64.0
124.03958	14.8
127.03924	3.0
128.07083	5.2
130.05023	3.7
130.08669	2.4
131.03432	7.5
136.07539	6.0
138.09193	2.6
142.03885	4.7
142.05011	85.3
160.06155	3.3
170.03065	2.4
170.04459	13.1
173.12856	3.4
178.07094	5.0
182.08134	50.8
184.09711	9.4
226.07118	49.8
228.08690	35.6
244.08049	12.3
257.11353	4.0
272.07663	100.0
361.14514	2.7
372.97339	2.5
405.15161	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	405.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
53.04763	1.5
54.24957	1.3
55.01885	9.0
55.05506	3.0
57.03455	1.7
64.40290	1.6
65.03951	15.0
67.05513	5.3
69.03440	3.7
70.06596	2.9
70.20931	3.6
70.21346	5.7
71.01363	6.1
77.03947	2.3
78.06100	1.4
79.05502	13.5
81.03443	3.5
81.07070	6.2
82.04205	2.6
82.54581	1.6
84.04502	2.2
85.02910	5.6
91.05492	87.8
92.05823	2.1
93.03423	2.3
93.07056	3.9
94.04197	3.3
95.04981	14.6
97.02878	2.2
97.06531	7.6
98.97545	2.4
100.84504	1.4
103.05463	6.7
105.03398	28.4
105.04497	2.1
105.07026	7.9
107.04987	8.2
107.08569	1.4
108.02113	2.7
108.05759	2.7
108.08126	2.0
109.02903	2.1
109.06543	22.8
110.03689	4.3
111.04446	4.5
115.05489	4.0
116.01000	1.4
116.06236	1.7
117.07008	3.8
118.04176	3.8
119.04959	98.4
119.08572	3.1
121.02887	1.6
121.06498	5.1
122.03678	3.5
123.04451	12.5
123.08101	6.1
124.05206	7.5
125.05994	6.3
129.07033	3.2
131.04951	7.0
131.05876	1.7
132.05707	1.5
133.02885	18.5
133.06505	15.7
133.10136	1.9
135.04448	3.7
135.08061	1.7
136.05196	2.9
137.05991	36.5
138.03169	2.3
139.03902	2.8
140.04716	5.4
142.02602	2.0
143.04907	1.7
143.08488	1.7
147.04411	20.1
147.07944	1.7
148.05200	3.0
149.06024	3.4
151.03958	7.9
151.07559	55.7
153.05481	20.3
154.06290	4.3
155.07083	12.2
159.08084	3.1
160.05321	1.9
161.06021	14.8
163.03905	3.8
165.05493	33.7
166.06267	8.0
167.07076	11.9
171.06573	3.1
172.05264	2.5
173.05989	1.7
175.07553	6.7
176.04710	2.3
177.05521	6.3
178.15977	2.1
179.07068	27.7
180.07843	25.6
181.04980	100.0
182.05568	1.7
182.08231	4.1
183.06500	4.4
184.09676	1.8
185.13327	1.8
187.07545	16.6
189.09131	2.4
191.07048	1.6
191.78900	1.5
192.98424	1.6
193.05009	13.6
195.06563	1.9
197.08163	3.3
200.88229	1.6
203.07054	3.3
204.57527	1.5
205.06960	1.5
205.08589	8.3
207.06509	17.1
208.07339	45.9
215.07037	1.9
219.01804	1.9
221.07968	1.8
223.09848	1.6
225.07591	30.6
226.08376	28.9
228.08667	2.3
233.08119	5.7
235.04770	1.7
249.09277	1.8
249.20628	1.6
277.08780	2.4
293.08270	2.0
309.11102	2.9
313.11896	2.2
341.13654	3.0
350.76620	1.6
351.62119	1.7
357.13351	3.0
369.13000	1.8
372.93564	1.8
373.14020	5.6
387.14163	3.8
405.13312	7.0
405.18552	1.9
405.23987	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	405.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.5
56.05032	0.9
56.96571	1.0
57.05798	0.6
60.04527	3.3
67.05525	0.6
69.03430	1.2
69.07083	7.0
69.40240	4.1
70.06590	2.4
72.08162	34.9
72.76902	0.7
74.06069	0.8
75.49965	0.6
79.05497	0.5
84.04503	0.9
84.08141	1.8
85.02917	1.9
86.09715	100.0
87.05589	2.3
88.04019	1.1
90.29057	0.6
90.76144	0.7
91.05466	0.8
95.04984	1.6
97.02889	0.9
98.02442	0.6
98.97584	1.5
102.05545	1.1
103.05495	0.6
111.09254	0.7
120.08152	1.1
123.04461	1.3
127.03884	0.8
128.10744	2.0
132.69991	0.6
137.05971	0.9
139.07594	0.7
155.07083	0.8
159.11317	4.3
163.03957	0.9
167.07018	0.8
169.05038	0.9
169.09802	3.1
173.11336	0.9
173.12877	16.6
176.04337	0.6
180.07736	0.8
181.05089	1.2
183.06595	1.3
187.10794	6.6
193.27940	0.6
201.12343	7.9
219.13420	14.5
231.02902	1.0
233.08208	0.7
237.02925	0.9
243.95154	0.6
282.18130	8.9
288.15808	0.8
300.19116	1.1
306.16550	1.3
319.13843	1.1
333.81525	0.6
355.09396	1.4
361.14825	1.8
369.24811	0.7
373.12997	2.4
387.22281	0.7
405.13095	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	406.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53450	0.7
55.01876	2.5
55.05512	3.8
56.05041	8.4
57.03444	6.5
58.99591	12.8
67.05514	1.3
68.05027	1.5
69.03414	1.1
69.07075	2.3
70.06599	2.9
71.04991	0.9
71.06443	2.0
72.08175	1.2
73.01147	1.5
74.00664	1.5
76.02235	21.0
76.04023	2.1
79.05504	5.4
80.05052	1.1
81.03401	0.8
81.07067	20.1
81.99123	0.8
82.06609	0.9
83.06135	2.1
84.04513	26.2
84.08151	1.1
85.01130	2.3
85.02914	0.8
86.00661	4.8
86.09673	1.7
86.99077	7.3
87.02698	7.5
88.02232	2.5
93.07081	1.1
94.06564	1.7
95.08630	3.5
97.01119	0.9
97.06532	1.6
98.06061	0.8
98.09702	13.0
99.05608	0.8
99.08110	5.1
102.05543	4.4
105.07037	2.4
107.08619	1.1
108.08168	0.9
109.02913	1.0
110.09683	1.4
112.03968	2.8
113.04241	6.5
115.05825	1.4
116.01686	24.2
120.08017	1.0
121.02901	1.1
121.06467	1.4
122.09697	2.0
123.08026	1.6
127.03924	1.1
127.05807	1.0
129.06604	3.6
129.07426	1.0
130.05022	7.5
130.06853	4.8
130.08615	1.5
131.08597	4.4
137.94545	0.8
139.05775	2.3
142.03239	2.0
142.04930	0.8
143.02734	1.6
144.01195	7.7
145.10136	1.3
149.09624	2.4
156.08447	18.8
156.10225	9.9
157.06833	8.8
158.11755	1.8
162.02220	20.5
163.11176	1.1
167.07007	1.9
174.09485	12.7
174.10829	1.3
179.04857	8.8
181.77492	0.8
188.35532	0.7
189.03299	1.9
191.10707	1.3
209.11769	6.1
210.11285	2.8
216.06903	6.3
233.05914	1.7
242.08546	1.0
245.06120	1.2
251.38742	0.8
259.11142	100.0
260.09369	1.3
260.11694	1.3
277.12000	1.1
285.12738	1.6
313.12128	3.4
331.13165	5.9
388.15674	1.3
388.23364	1.0
406.16507	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	406.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.05508	4.0
57.03441	3.4
61.04204	1.8
69.03427	14.0
71.04997	5.1
71.55856	2.6
73.02928	3.8
81.03429	19.0
83.07384	4.0
85.02915	65.7
88.58469	1.7
97.02902	32.7
99.04465	45.9
100.07633	19.0
103.03955	73.6
109.02887	19.6
116.44458	1.7
116.80398	1.8
117.86472	1.6
127.03934	100.0
140.42133	1.9
145.04976	44.5
159.69354	1.7
163.06023	13.8
169.05013	2.1
183.53529	1.7
187.06030	5.0
205.07100	3.9
215.63495	1.8
239.08083	2.3
240.08517	3.5
246.13252	2.4
254.10077	4.9
268.08090	2.3
271.08148	5.0
272.11246	2.4
282.09552	5.9
289.09332	2.0
300.10703	3.4
310.09146	8.2
312.10727	3.0
312.42102	1.8
328.10114	7.9
338.08820	1.9
346.11252	11.5
351.96066	2.0
356.09412	3.3
374.10565	16.5
406.13034	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	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02349	3.9
55.01882	3.6
55.05514	5.7
56.05046	4.8
57.03440	7.5
57.07079	4.3
58.54250	3.7
58.99579	6.9
67.05502	17.6
69.03437	21.6
69.07069	9.3
70.06607	30.5
71.04992	12.7
72.08154	5.4
76.02236	12.9
79.05496	18.7
81.03421	8.2
81.07077	22.2
81.07459	4.2
84.04505	17.0
84.08160	8.8
85.02904	28.0
85.06550	63.1
86.06080	5.4
86.09713	7.6
86.99068	6.0
87.04490	8.3
91.05493	14.3
93.07062	13.0
95.05002	6.5
95.08633	5.9
97.02921	4.8
98.09674	6.1
98.97610	19.7
99.08113	5.6
102.05550	5.6
104.07140	4.6
105.07063	20.4
107.04992	4.6
107.08603	15.4
109.06544	4.7
109.10149	4.9
111.04470	7.8
112.07610	5.1
116.01690	18.3
116.98669	5.1
119.08600	23.1
121.06489	6.8
121.10150	15.9
123.11743	5.6
127.03925	6.5
129.06871	4.2
129.10260	5.3
131.08582	45.8
133.10156	11.0
133.80827	3.7
135.11691	3.8
137.09615	5.5
144.01143	7.3
145.10143	26.7
147.08083	6.5
147.11667	9.2
149.09642	42.0
156.08426	11.8
156.10150	5.4
157.06842	4.9
158.99614	4.6
162.02240	17.1
163.11172	15.2
165.09128	5.9
167.10699	19.4
173.09669	7.6
173.13272	4.6
174.09511	8.4
175.14836	15.6
191.10716	43.7
191.14351	8.6
209.11763	59.5
213.07825	8.2
227.12817	100.0
244.06380	3.9
245.08270	3.9
259.11154	51.3
263.09579	4.3
313.12079	5.0
370.22134	5.5
374.12219	4.2
388.23209	19.6
399.50699	3.9
407.13409	14.8
412.34848	3.9
425.14822	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67387	7.7
52.79825	6.2
55.01873	8.3
62.31034	7.6
62.41952	7.1
63.30760	6.3
67.05492	7.6
69.03424	14.6
69.07037	8.2
70.06594	25.6
70.78057	12.9
70.78391	14.2
71.04996	12.7
76.02248	9.2
78.11631	8.4
79.05502	13.3
81.03413	9.3
81.07063	16.8
84.04524	8.9
84.08146	11.4
85.02914	18.0
85.06559	72.6
85.50021	7.1
85.59325	6.8
86.06085	6.8
87.04488	7.8
89.39040	7.2
91.05503	15.1
93.07043	11.7
95.04990	8.0
95.08614	10.9
103.26051	6.9
105.07059	21.4
107.04979	6.9
107.08589	18.1
119.08588	33.9
121.10136	14.7
125.74780	6.6
127.11817	8.1
131.08569	50.1
133.10150	18.1
137.80876	7.7
145.04955	8.8
145.10109	14.0
149.09630	48.7
162.02190	8.9
163.11229	17.8
164.04190	7.8
167.10699	21.9
173.13268	7.4
175.14851	28.9
191.10696	48.4
191.14276	10.8
209.11671	58.5
220.45441	7.3
227.12772	100.0
243.96295	7.9
245.08157	9.0
259.11191	25.8
305.75946	7.1
370.22235	9.4
388.23364	25.5
407.13394	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05514	2.4
57.03433	1.3
65.03944	3.0
67.05494	1.7
69.03440	3.1
69.07070	1.9
69.17493	0.8
70.06597	7.3
70.80096	2.1
70.80446	1.4
71.05013	1.0
72.08169	1.1
78.03461	2.4
79.05502	1.2
81.03438	3.8
81.07063	3.6
83.04996	2.1
84.04511	1.9
84.08159	2.2
84.96046	1.0
85.02911	6.6
86.06080	1.0
86.09718	3.1
91.05504	2.3
93.07024	1.8
95.04968	4.2
95.08614	1.6
97.02898	2.8
97.06561	1.2
98.20876	1.0
98.97586	4.3
99.04453	1.7
104.05283	0.9
105.04648	0.9
105.07048	2.5
106.02921	10.2
107.08643	5.1
109.02907	3.0
109.06544	2.6
109.10166	1.6
110.97604	0.9
111.04443	2.4
116.98707	1.2
119.08577	1.4
121.02888	100.0
121.10180	2.2
122.03234	1.8
122.45747	0.9
124.03967	23.1
124.04827	1.8
127.00089	1.4
127.03943	3.4
129.10281	0.8
131.00179	1.0
131.08566	1.6
133.10156	11.3
137.09631	1.9
145.04993	1.2
147.11671	1.6
149.09671	1.0
149.13284	1.9
151.11226	1.4
153.09065	1.2
158.37944	0.8
158.99699	1.1
162.07635	1.3
167.14326	1.3
169.01102	1.2
171.04414	1.0
172.11601	1.4
173.13245	2.0
174.60936	1.0
175.14819	1.6
177.05414	1.2
181.04889	1.4
182.05394	0.9
191.14366	2.6
194.99268	0.8
209.15347	7.0
217.13634	1.9
219.01877	1.6
250.07153	4.2
259.11133	1.2
268.08176	8.9
272.05170	1.3
287.03906	1.8
314.08594	1.0
332.09720	1.2
357.11169	1.0
370.09052	3.0
378.43384	1.0
388.10159	4.6
388.23718	1.2
406.11493	4.2
406.16721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
54.34066	0.6
55.01857	0.8
55.05527	2.9
56.05040	4.7
57.03457	0.9
62.37152	0.7
67.05502	8.9
69.07062	3.0
70.70705	2.1
77.53680	0.7
79.05496	8.2
81.07063	10.2
83.08611	1.7
84.04509	100.0
85.02904	1.5
85.06548	0.9
91.05485	15.3
93.07051	12.0
95.05002	1.0
95.08607	6.4
97.06545	0.9
102.05547	37.9
105.07042	24.1
107.08616	7.2
109.10185	3.3
113.09632	0.6
117.07028	5.6
119.08590	13.0
121.10139	4.6
123.11697	0.9
129.06996	2.7
130.05013	69.1
131.08583	9.2
133.10144	16.4
135.11678	6.8
143.08588	3.6
145.10132	5.7
147.11693	14.5
148.06053	96.3
149.09648	0.8
149.13260	4.1
149.83928	0.6
157.10114	2.5
159.11714	10.5
161.09586	0.7
161.13264	10.3
163.11113	0.7
163.14807	1.9
171.11711	3.6
173.13281	6.1
175.11212	0.8
175.14833	5.8
185.13281	3.5
197.52127	0.6
199.14795	2.7
201.16359	0.7
213.16374	1.5
217.19431	0.7
219.54131	0.7
231.21092	1.8
241.19507	10.5
258.13272	0.9
259.20602	23.2
277.21555	2.3
303.62442	0.7
360.25067	1.4
388.24750	2.0
406.25919	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	407.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01867	4.8
56.96566	2.8
65.03939	9.9
67.05488	4.0
69.30951	16.3
69.31372	5.5
70.65664	2.4
71.01334	7.2
79.05493	18.6
81.07069	4.2
82.04183	3.6
85.02908	3.0
86.09748	2.4
91.05479	22.1
93.03387	3.5
93.07049	2.9
95.04977	12.5
97.06544	2.4
98.97594	2.7
103.05460	24.1
105.03402	6.2
105.07030	10.3
107.04961	73.3
109.06509	12.3
110.03650	7.5
111.04449	4.7
113.56759	2.7
115.05446	7.0
117.07024	5.1
119.04928	8.2
120.05733	3.8
120.08137	3.3
121.06499	9.1
122.03632	5.1
123.04431	9.6
125.06001	6.6
129.07051	3.0
131.04929	11.0
133.02875	17.4
133.06496	10.0
135.08032	17.1
137.05986	43.7
140.04654	6.6
142.02560	4.4
147.04402	9.5
148.05141	5.1
149.05928	12.2
151.07523	7.0
153.05457	18.9
154.06284	3.4
155.07033	16.5
161.05978	25.1
161.09572	6.3
163.03917	3.0
163.07538	88.4
165.05482	37.6
166.06276	10.8
167.07014	6.3
171.06602	2.7
175.07547	4.4
177.05482	12.1
179.07054	7.7
180.07785	19.4
181.04970	100.0
181.08592	45.1
183.06497	6.0
189.05479	4.2
189.09097	14.0
193.04982	20.1
197.07970	4.8
207.06558	24.5
207.10107	14.6
208.07304	48.7
209.08011	6.0
225.07585	46.0
226.08344	29.5
230.83391	2.4
235.09619	3.4
287.99542	2.5
357.13419	5.2
359.14944	6.2
389.15732	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	407.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.2
56.96560	1.6
57.05806	1.4
64.59901	0.8
69.07088	1.2
70.06590	6.0
71.54946	0.8
72.08160	87.1
79.05505	0.8
81.07043	0.9
84.04498	2.1
84.08137	2.9
85.02916	1.4
86.09707	6.1
91.05486	2.7
96.97552	0.9
98.97588	2.4
103.05485	2.0
105.03388	1.3
120.08112	100.0
121.02853	1.4
121.08475	1.6
129.10214	0.9
131.08606	0.9
133.10127	1.2
136.07581	1.1
147.04483	1.2
147.07724	0.9
165.05589	1.1
171.16623	0.9
177.05486	1.2
189.12357	28.1
191.11797	35.6
219.11295	39.0
219.14865	2.4
223.06531	1.0
237.02856	0.9
247.14461	2.1
266.43021	0.9
273.15912	1.3
311.10068	1.1
315.09818	0.9
318.18091	2.4
357.10660	0.9
375.11801	2.1
387.75012	0.9
389.13504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
56.96570	1.2
57.07061	0.7
62.27720	0.5
62.52268	0.5
67.05476	1.5
70.04852	1.8
70.86720	0.5
79.05481	1.4
81.03414	0.6
81.07066	1.2
83.39952	0.5
91.05491	1.3
92.96064	0.5
93.07021	1.7
95.04984	0.7
95.08617	1.1
105.07011	0.8
107.08552	0.5
119.08575	1.1
123.04424	0.5
126.83810	0.4
131.08591	0.7
157.10092	0.7
193.12141	0.5
213.77806	0.6
227.01030	0.5
247.29005	0.5
285.10004	0.9
333.20773	0.6
333.24460	1.5
389.22818	0.7
407.24066	100.0
408.24463	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	407.2408
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
52.95172	1.7
56.96567	4.4
60.58533	1.6
61.02927	2.0
67.05502	6.1
69.07069	2.6
71.55055	2.9
79.05499	2.4
81.03411	2.3
81.07064	3.6
91.05489	5.4
93.07037	3.4
95.08611	5.5
97.10154	2.1
98.17564	1.7
100.77390	1.7
105.07042	2.4
107.08626	3.6
109.10173	2.7
109.66253	2.0
121.10143	2.8
130.55466	1.8
132.79448	1.9
133.10153	3.0
145.10146	3.2
351.18362	4.4
375.55573	1.9
389.23004	55.0
390.23471	2.1
407.24088	100.0
408.24542	3.9
415.68915	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	407.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.6
57.03447	4.9
57.07085	5.7
58.34587	0.5
67.05506	3.9
69.07072	1.7
69.88706	3.2
71.08631	5.7
72.17558	0.6
79.05463	0.8
80.23641	0.7
81.07075	4.7
83.08622	2.2
84.10252	0.6
85.10196	2.4
89.06030	0.8
92.85130	0.7
93.07041	1.6
95.08624	4.2
95.09133	0.7
97.10194	1.0
105.07034	0.9
109.10168	2.3
112.11195	0.6
113.00027	100.0
117.07099	0.7
119.08575	1.2
121.10134	1.0
123.11702	1.2
131.01025	0.7
133.10135	0.8
134.01685	0.6
137.13289	0.7
145.10165	1.1
154.02664	1.1
169.02628	99.5
239.23639	0.7
263.54922	0.7
303.24518	0.7
407.11649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00938	2.2
53.03943	5.3
69.03439	15.7
69.44653	2.7
70.98943	5.6
70.99317	3.4
73.02921	3.1
77.65091	2.4
81.03428	17.7
84.04509	5.7
85.02912	74.0
85.06554	4.6
86.09711	11.8
91.05457	2.5
97.02899	30.1
97.06510	3.2
99.04456	42.7
100.41756	2.8
102.09181	13.3
103.03952	72.3
105.07030	3.7
109.02905	16.1
115.16149	2.3
118.59857	2.3
120.08107	12.3
120.13176	2.8
127.03928	100.0
145.04973	56.3
163.06018	15.2
166.08667	9.0
187.05986	9.3
191.73300	3.3
205.07272	4.0
211.13371	3.4
215.13933	8.3
243.13661	3.5
246.45332	2.6
282.25812	2.8
289.09207	2.8
409.56982	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	408.2131
Annotation	Glu Leu Phe
Peak:m/z	Relative Intensity
56.05033	3.3
68.05023	1.0
69.07059	1.7
71.22015	2.1
72.22315	0.7
84.04513	52.8
85.02910	2.3
86.09714	100.0
87.87916	0.8
93.07040	1.0
96.04494	2.7
96.43885	0.8
98.88904	0.8
102.05552	23.8
103.05489	3.8
107.04999	1.0
113.07130	3.7
114.05604	0.8
120.08118	93.8
122.62110	0.9
124.11275	1.1
129.06601	8.1
131.04904	1.0
132.10234	1.6
136.07597	1.3
141.06573	7.0
142.05003	1.5
149.05949	1.1
152.10770	3.9
166.08653	71.6
167.09079	1.2
170.11798	6.9
197.11525	0.6
197.12880	33.8
215.13927	57.8
225.12389	10.0
226.12646	1.0
243.13426	13.9
247.11292	1.5
249.12218	1.1
279.17065	3.4
300.15964	0.8
325.51208	0.8
352.49963	0.8
358.11087	1.4
390.20239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.8
56.96569	18.2
59.30643	1.5
69.03434	2.3
69.61990	8.4
70.06599	4.1
72.08154	8.1
84.04510	5.3
84.08144	6.1
84.96046	5.9
85.02929	3.6
85.82681	1.3
97.02888	2.4
98.97594	40.0
110.97586	15.4
112.99140	2.3
116.98638	17.6
118.08717	1.6
120.08123	2.2
128.98624	17.0
129.02214	2.3
129.10237	2.8
130.05011	4.3
131.00185	3.2
134.99669	3.5
136.07596	3.7
139.00703	4.9
140.00348	1.8
143.00163	4.0
146.99677	6.4
147.03316	2.2
147.07692	2.0
157.01733	21.8
158.99677	3.9
161.01201	5.9
161.03052	2.4
161.04898	2.0
163.37909	1.6
169.01732	1.8
170.99654	5.8
171.05324	1.7
175.02812	46.6
177.00710	4.8
179.02147	2.0
179.05966	2.3
187.02831	5.3
189.00800	4.1
193.03830	11.9
196.95079	1.5
199.02708	7.2
201.00713	5.6
201.02441	1.7
205.03827	15.6
217.03856	25.4
219.01776	40.8
223.04872	3.5
229.03816	3.0
230.10304	2.0
233.03441	1.8
237.02837	58.8
247.04953	6.6
247.12976	1.5
253.03908	2.3
255.03868	3.0
259.04892	5.9
260.04391	2.3
265.05969	1.8
273.06305	1.5
277.05933	2.2
289.06052	3.7
291.83621	1.5
293.10858	1.9
301.05954	10.0
319.07034	6.6
331.07059	36.5
337.07684	1.6
347.14487	2.4
349.08096	100.0
350.08295	2.1
367.09250	8.4
372.09631	4.6
381.13202	2.7
391.09207	2.9
409.10403	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Woodhousin
Peak:m/z	Relative Intensity
56.96562	0.5
60.48790	0.4
70.06601	0.9
70.37027	0.4
71.05868	1.0
81.03427	0.4
81.07056	0.4
84.08152	0.9
85.02911	1.0
86.09703	1.1
87.18246	0.4
91.05495	0.6
97.02853	0.6
98.97595	0.8
119.04917	0.5
119.08541	0.4
120.08133	2.7
136.07590	0.6
149.09703	0.5
165.96030	0.4
177.12320	0.4
185.04224	1.7
199.08157	0.5
209.62775	0.4
246.04997	0.9
247.05815	8.5
247.08098	0.3
277.09183	0.5
285.02029	0.4
295.53217	0.4
360.68570	0.4
381.13641	0.5
409.11078	43.8
409.18283	100.0
410.11478	0.6
410.18610	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1838
Annotation	Woodhousin
Peak:m/z	Relative Intensity
70.26074	0.6
73.52197	0.3
74.71719	0.2
82.52043	0.2
118.63754	0.3
148.93672	0.2
162.95833	0.3
165.44812	0.3
165.46645	0.2
168.18729	0.3
181.04929	0.3
189.04678	0.3
203.05301	0.3
242.19998	0.3
247.13104	2.6
399.77332	0.3
409.18359	100.0
410.14099	0.4
410.18689	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	409.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72741	0.3
53.37144	0.4
54.19654	0.4
54.80209	0.4
55.05521	0.9
55.50671	0.4
56.96575	0.8
66.60658	0.4
67.05498	1.7
69.07079	0.5
70.82661	0.4
71.55347	0.5
76.99834	0.4
79.05486	1.1
81.03425	0.5
81.07056	1.2
85.02832	0.5
91.05482	0.9
93.07052	1.3
95.04960	0.5
95.08607	0.5
97.02916	0.4
105.07070	0.9
107.08588	0.8
109.06516	0.4
109.10158	1.1
117.06956	0.4
119.08604	0.8
121.10173	0.6
131.08556	0.4
145.10123	0.6
217.07390	0.4
295.15268	1.1
309.16800	0.5
309.73611	0.4
321.64243	0.4
381.13312	1.1
409.25653	100.0
410.25937	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2567
Annotation	Sarcrassin C
Peak:m/z	Relative Intensity
53.30383	0.4
55.05502	0.5
56.96560	0.8
60.32345	0.4
64.82610	0.4
67.05495	1.7
70.01991	1.9
73.83877	0.4
74.92439	0.4
79.05475	1.1
81.07057	1.3
91.05497	0.9
93.07064	1.0
95.04963	1.1
95.08629	1.0
97.02914	0.6
97.06589	0.6
105.07046	0.7
107.05019	0.5
107.08620	0.9
109.10165	1.4
109.86684	0.4
119.08572	1.2
121.10159	0.6
147.11639	0.5
157.10201	0.6
159.11635	0.6
173.13129	0.5
191.07045	0.6
200.30353	0.4
204.10364	0.5
280.02942	0.5
295.15161	1.1
309.16809	0.9
381.13467	1.5
409.25662	100.0
410.25989	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	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10339	4.4
50.98985	4.6
55.05518	28.5
57.03434	6.3
57.07066	7.8
67.05507	41.5
69.03411	6.2
69.07059	15.0
71.55075	9.0
79.05501	34.7
81.03403	6.0
81.07066	50.5
83.04995	9.3
83.08614	9.4
86.09676	5.4
91.05479	40.2
93.07050	50.6
95.04983	58.2
95.08621	31.9
97.06538	12.5
102.55173	4.6
105.07045	100.0
107.05005	5.9
107.08607	31.6
109.06511	16.1
109.10172	24.7
112.08848	4.6
117.07014	16.4
119.08613	70.1
121.06504	9.2
121.10162	22.3
123.08079	17.9
124.13934	5.9
124.99275	5.0
128.06210	5.3
129.07008	15.1
130.07788	5.5
131.08565	21.0
133.06483	7.5
133.10167	25.7
135.08060	13.0
135.11688	13.2
142.07768	8.7
143.08633	15.0
143.87122	5.1
144.09383	7.1
145.10110	46.6
147.08005	13.4
147.11703	47.6
151.07564	8.7
153.09077	6.5
155.08504	6.7
157.10162	20.3
159.08078	8.2
159.11688	16.5
161.09598	4.8
161.13327	4.8
163.11205	6.5
165.09120	15.6
165.12814	7.2
169.10110	13.4
171.11757	7.8
173.09528	6.6
175.11214	28.7
181.10187	7.9
181.12035	5.5
183.11674	6.3
185.13425	6.3
187.11090	5.9
197.13326	8.6
201.12737	13.1
203.14297	8.1
209.13329	5.5
211.14867	11.4
213.12747	7.6
215.14357	7.6
219.13831	6.2
221.15338	31.8
233.15367	5.4
234.16182	14.7
261.25720	5.0
287.19907	6.5
309.03888	9.6
365.02826	10.5
380.05090	9.5
381.13141	8.4
391.26477	12.2
409.13168	11.7
409.27338	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58372	2.3
53.03943	7.9
55.05518	23.4
57.07072	6.2
58.17272	2.2
59.04996	2.5
65.03943	2.2
67.05506	19.7
69.03433	4.8
69.07059	6.6
69.92535	2.7
71.25028	3.9
79.05505	22.6
79.41340	2.6
81.07066	33.7
83.04985	6.7
83.08646	3.1
84.38228	2.3
85.06548	3.9
91.05491	46.2
93.07054	44.8
95.04977	49.4
95.08620	31.8
97.06520	8.9
103.05481	2.8
105.07047	100.0
107.04967	3.9
107.08606	26.2
109.06544	14.8
109.10137	9.4
115.05450	3.7
117.07022	14.5
119.07793	4.2
119.08600	62.6
121.06529	18.6
121.10133	13.4
121.58443	2.2
123.08071	20.4
125.86437	2.1
128.06271	3.7
129.07021	13.6
130.07813	3.2
131.08574	25.6
132.09271	2.4
133.06522	6.3
133.10129	23.3
135.08075	13.8
135.11717	3.8
137.09636	9.4
138.13780	1.9
141.06985	5.8
142.07808	13.0
143.08594	20.6
144.09306	3.8
145.10143	38.4
147.08072	15.2
147.11697	40.6
149.02277	3.5
149.09579	11.0
151.07515	15.6
153.09113	3.6
155.08556	8.3
156.09364	3.6
157.10141	26.6
159.08058	3.9
159.11703	16.8
161.09624	13.0
161.13261	4.3
163.11176	4.9
165.09129	27.5
167.03401	3.2
167.08598	4.4
168.09244	3.4
169.10124	14.1
170.10977	3.4
171.11734	13.6
173.09694	4.2
173.13271	9.3
175.11208	28.3
177.09125	4.2
179.08543	3.5
180.09370	2.6
181.10141	5.3
181.12302	3.7
182.10930	3.2
183.11726	10.5
185.13281	7.0
187.11160	5.8
187.14767	2.3
189.12726	7.0
191.14220	4.6
193.10097	3.0
194.10989	2.4
195.11722	8.8
196.12598	2.9
197.13254	5.4
199.11140	4.7
199.14854	3.9
201.12764	10.2
203.14296	13.2
207.11929	2.6
207.13792	6.7
209.13361	5.2
209.15276	3.8
211.14838	7.6
213.12718	3.8
219.13760	3.3
221.13440	3.2
221.15364	53.6
223.14937	2.5
229.15935	3.8
231.13815	5.1
233.15326	4.5
234.16238	15.4
235.14989	4.1
253.16002	2.6
271.17004	2.9
286.19354	4.7
287.20120	8.8
300.20923	3.0
329.21286	3.3
357.32401	2.2
391.26169	3.8
409.13129	15.6
409.27420	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.05513	21.7
57.07072	8.5
65.95318	2.9
67.05512	24.4
69.03434	6.3
69.07063	8.2
70.49055	10.2
79.05515	22.0
80.37164	3.9
81.03436	3.1
81.07069	33.9
81.83302	3.3
83.04984	5.1
83.08605	5.0
85.06568	5.8
86.13293	3.8
91.05485	44.2
93.07052	54.0
95.04981	48.9
95.08610	31.2
97.06528	9.7
98.51312	2.9
103.05460	5.3
105.07042	100.0
107.08612	19.2
109.06516	14.5
109.10178	20.0
111.08092	3.4
112.43409	3.8
115.05465	6.6
117.07040	16.6
119.04910	3.3
119.07790	6.6
119.08588	70.8
121.06535	18.1
121.10141	16.1
123.08094	27.5
128.06221	6.4
129.07036	9.0
130.07770	5.5
131.08557	23.1
133.06502	5.3
133.10155	20.2
135.08061	17.2
137.09625	11.4
142.07814	13.6
143.08571	15.6
144.09352	3.9
145.10129	48.0
145.27228	3.7
147.08089	17.4
147.11682	39.2
149.09619	14.4
151.07585	26.8
155.08578	10.0
156.09380	7.8
157.10155	23.9
159.08067	8.9
159.11725	18.3
160.08707	4.3
161.09627	11.5
161.13338	4.3
163.11192	4.9
165.09126	38.5
169.10172	10.2
171.11713	12.4
173.09659	8.2
173.13268	5.1
175.11188	16.7
177.09142	5.0
181.10135	5.7
183.11697	12.9
187.11217	7.5
189.12766	4.6
196.12581	4.3
198.09952	2.9
201.10779	3.2
201.12787	8.4
203.14320	16.9
207.13832	10.9
209.13367	4.1
211.14793	6.0
215.14272	4.1
219.13760	4.1
221.13495	3.2
221.15376	67.8
225.16272	4.1
229.15865	4.4
233.15395	5.1
234.16171	8.8
235.14723	3.7
239.18205	3.8
242.45923	3.3
285.18924	3.4
287.20267	7.7
329.21048	6.1
391.26431	6.0
409.27396	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01929	1.5
53.03937	5.7
55.01881	2.3
55.05513	17.9
57.07072	5.8
59.05011	2.6
65.03955	2.1
67.05510	18.8
67.94984	1.6
69.03441	9.0
69.07069	6.9
79.05511	18.5
81.07061	26.4
83.04963	4.1
89.53058	1.7
91.05486	36.8
93.07050	42.7
95.04976	48.3
95.08607	21.4
97.06528	3.8
103.05468	3.2
105.07040	100.0
107.08611	22.7
109.06512	10.2
109.10139	5.4
111.08077	3.1
115.05454	4.0
117.07025	14.9
119.08589	67.0
121.06529	16.3
121.10116	11.0
122.07290	1.9
123.08082	16.0
128.06265	2.8
129.07021	10.3
130.07790	5.4
131.08588	22.7
133.06479	5.0
133.10133	11.6
135.08073	12.7
135.11707	3.3
137.09631	7.8
141.07034	2.6
142.07805	11.8
143.08615	10.7
145.10130	32.9
146.07310	1.7
147.08066	17.0
147.11700	47.1
147.12804	3.5
149.09654	11.8
151.07547	14.1
155.08557	6.6
156.09338	2.9
157.10156	16.5
158.10886	2.3
159.08063	6.2
159.11716	10.3
160.08853	1.8
161.09641	7.2
161.13225	3.0
163.11229	3.5
165.09138	28.9
167.08601	2.5
168.09401	3.1
169.10107	9.9
170.10974	3.1
171.11725	6.7
172.08902	1.9
173.09627	5.1
173.13297	6.2
175.11217	30.4
177.09140	4.1
178.09940	2.8
179.08499	2.3
181.10173	4.0
181.12300	2.5
183.11722	8.0
185.13258	5.3
187.11179	3.2
187.14864	2.6
189.12762	5.6
191.14400	2.0
195.11731	2.9
197.13326	2.9
201.12781	6.8
203.14330	8.9
207.12007	2.7
207.13870	7.2
209.13289	3.4
209.15302	2.4
211.14865	5.0
213.12770	2.3
215.14331	2.7
219.11653	2.4
219.13818	5.4
221.15366	62.1
223.15047	1.9
227.61127	1.7
229.15857	2.7
231.13783	4.1
233.15431	3.9
234.16173	18.7
240.18665	2.0
281.19193	2.5
286.19406	2.6
287.20062	6.2
300.20767	5.3
329.21100	3.7
379.25537	1.7
391.26230	7.0
398.61789	1.7
409.27390	37.0
410.27432	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03946	3.8
55.01840	2.0
55.05517	19.8
57.07066	4.6
59.04981	2.8
65.03929	1.8
65.73492	1.5
67.05513	14.2
69.03433	7.3
69.07075	7.6
69.43231	11.0
79.05492	22.8
81.07068	26.1
83.04975	4.2
83.08625	1.6
85.06535	2.1
91.05485	35.6
93.07059	37.4
95.04979	53.6
95.08614	22.3
97.06528	7.5
103.05476	4.1
105.07040	100.0
107.04957	3.1
107.08607	24.8
109.06542	13.7
109.10167	6.2
111.08109	2.3
113.60219	1.4
115.05459	3.3
117.07017	12.9
119.04966	2.0
119.08595	65.6
121.06510	13.5
121.10165	10.5
123.08085	14.7
123.11768	2.2
125.06027	1.8
128.06223	4.0
129.06979	7.4
130.07767	5.3
131.08566	20.6
133.06470	4.3
133.10138	17.3
135.08072	12.3
135.11725	3.6
137.05983	2.0
137.09641	7.4
137.25247	1.4
141.06992	2.2
142.07814	12.4
143.08568	12.5
144.09358	2.3
145.06499	1.5
145.09044	2.5
145.10135	32.1
147.08076	15.8
147.11696	39.0
149.09648	11.5
151.07559	16.3
153.07080	1.9
153.09087	1.7
154.07756	2.1
155.08606	6.8
156.09361	4.5
157.10150	16.5
159.08073	4.9
159.11742	14.1
160.08885	1.7
161.09569	6.7
161.13289	4.1
163.11200	5.3
165.06982	2.1
165.09116	29.6
166.09407	1.6
167.03392	1.5
167.08492	2.6
168.09264	2.0
169.10025	6.6
170.10870	1.8
171.11702	8.0
173.09624	4.5
173.13281	5.3
175.11189	29.0
175.14780	2.0
177.09099	4.5
178.09924	1.9
181.10149	3.2
181.12305	1.8
183.11699	7.4
185.13235	4.8
187.11122	3.4
187.14827	2.1
189.12775	5.3
191.14363	1.5
194.10803	1.6
195.11700	4.5
196.12489	2.2
197.13277	3.1
199.11212	3.3
201.12819	7.6
201.16368	2.2
203.14362	13.2
207.12029	1.6
207.13814	6.0
209.13431	2.6
209.15347	2.5
211.14861	4.2
213.12746	3.0
215.14284	2.2
219.13832	6.0
221.15384	54.6
225.12831	1.5
225.16351	2.2
229.15837	4.8
231.13812	2.2
233.15430	2.3
234.16164	20.0
235.14897	1.6
239.17767	1.5
286.19305	3.5
287.20120	6.1
299.19843	1.7
300.20810	5.8
312.20688	1.5
322.51495	1.4
329.21103	4.0
363.14014	1.5
381.13339	2.7
391.26071	4.2
409.27435	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01867	4.7
55.05516	14.8
57.03448	5.8
57.07068	7.1
58.03746	1.0
65.03941	2.2
67.05507	20.4
69.03427	2.5
69.07069	21.2
71.04995	2.5
71.08636	13.1
71.54772	1.4
79.05495	14.2
81.07062	32.0
83.04993	3.4
83.08606	6.0
84.77499	1.1
85.06559	4.6
91.05482	12.4
93.07050	23.0
95.04979	22.3
95.08614	25.8
97.06532	7.6
99.08097	10.0
105.07040	20.6
107.08597	13.1
109.05786	2.5
109.06525	47.3
109.10167	10.7
109.36286	1.1
111.08140	2.0
117.07031	2.9
119.08587	16.6
121.06515	12.1
121.10149	10.4
123.08096	3.2
123.11748	3.0
125.09585	1.3
131.08562	6.2
133.10133	8.4
135.08055	5.9
135.11681	5.9
137.09641	1.9
137.13272	2.1
139.11221	2.6
141.07208	1.0
143.08534	3.2
145.10133	10.0
147.08034	1.9
147.11671	5.9
149.09642	2.9
149.13333	2.4
151.11212	1.1
157.10143	2.3
159.11742	5.1
161.09702	1.7
161.13319	3.9
163.11205	9.5
165.12759	88.0
166.13094	1.5
171.11723	1.5
173.13304	2.2
175.11208	1.9
175.14886	1.8
177.12804	3.5
179.14351	2.7
185.13388	1.2
189.12784	1.3
191.14253	5.4
201.16373	1.6
203.14412	1.8
209.19060	8.5
211.14769	1.6
219.17473	4.0
221.15381	2.6
233.19145	1.4
237.18715	1.4
247.57506	1.2
249.18742	2.3
261.18549	4.5
276.81015	1.2
279.19543	3.0
279.26859	1.5
289.25259	19.3
299.23767	2.4
307.26373	3.6
317.24759	100.0
318.25256	2.5
319.26544	1.4
335.25806	34.3
347.25708	1.2
361.17310	1.1
381.13577	1.4
391.28400	10.9
392.29242	1.1
402.96432	1.4
409.12592	1.6
409.29593	59.9
410.29871	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
53.07654	2.9
55.05511	23.3
57.07070	6.7
59.21336	2.6
60.91127	2.8
61.20221	3.1
64.14249	3.0
67.05173	4.5
67.05508	41.1
69.07078	20.9
69.85114	15.9
71.04995	22.2
71.08633	5.4
79.05491	23.7
81.07062	87.5
83.08610	15.1
85.06546	4.8
89.06046	3.6
91.05490	26.4
93.06483	4.0
93.07050	77.8
95.04981	7.5
95.08617	100.0
97.06533	5.8
97.10163	10.5
98.21524	2.9
100.07823	2.8
105.07039	58.4
107.08601	60.9
109.06499	6.2
109.10165	55.1
111.08080	14.1
113.09671	7.6
116.20556	3.2
117.07021	6.7
119.08591	59.1
121.10159	54.7
123.08073	3.2
123.11711	30.4
126.09150	3.2
130.07805	2.9
131.08571	20.9
133.10130	45.6
135.11700	36.1
137.09666	3.9
137.13275	8.6
142.07768	4.9
143.08507	6.2
145.10117	29.3
147.11708	33.8
149.09592	3.3
149.13286	53.5
155.08640	3.3
157.10133	10.8
159.11732	45.3
161.13268	29.5
163.14819	20.9
171.11694	12.9
173.13258	24.7
175.14848	22.1
177.16359	8.7
183.11743	4.7
185.13252	11.8
187.14787	21.4
189.16386	20.0
191.17924	12.3
195.12163	4.3
197.13297	4.6
199.14874	10.2
201.16438	17.1
203.17928	17.0
205.15685	3.6
211.14969	4.6
213.16417	11.5
215.17996	12.0
217.19508	27.9
227.17892	8.4
229.19513	8.1
229.82996	3.5
231.21135	9.0
239.17995	2.9
241.19603	6.2
243.20932	3.4
255.21129	7.4
257.22720	7.7
259.24234	8.9
269.22574	5.3
281.22806	3.7
283.24271	3.9
295.24359	4.9
325.28958	5.0
327.26868	3.2
339.26678	4.1
351.30405	12.0
365.32193	3.5
381.13104	8.0
391.33475	18.3
409.12784	8.7
409.29547	6.1
409.34644	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1267
Annotation	Aloenin
Peak:m/z	Relative Intensity
61.02858	0.5
67.34254	0.6
69.03426	0.6
70.06581	1.3
70.79482	1.7
79.05454	0.6
81.03408	0.8
85.02892	1.6
87.00828	0.5
97.02882	1.1
98.97569	0.9
109.02831	0.6
117.03285	0.6
127.03863	1.3
134.92339	0.5
135.04355	0.6
145.02806	0.8
159.02844	0.5
160.35008	0.6
163.03926	4.8
168.40260	0.6
175.08731	1.0
179.06973	0.6
181.04945	0.6
191.07047	1.1
192.07765	1.2
203.05296	4.5
203.06960	1.1
231.10008	0.6
249.09801	0.7
257.51355	0.5
267.10947	0.9
291.10745	1.3
309.11746	0.6
393.12564	1.2
411.12466	100.0
412.12546	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	411.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.3
69.76250	0.9
69.76656	2.1
70.06580	1.0
71.26434	0.5
80.53554	0.5
86.09735	0.7
91.05482	0.6
98.97599	0.6
107.08586	0.8
135.74202	0.4
147.09184	0.9
173.09335	0.7
191.06906	0.7
192.07893	1.1
203.05270	6.8
207.08707	0.5
219.06480	0.5
231.13664	4.0
233.10268	0.7
249.09879	1.4
267.08423	0.5
267.10754	2.4
291.10745	0.8
291.14514	0.7
309.11649	0.6
311.93607	0.5
353.15784	6.0
411.16031	20.4
411.19934	100.0
412.20322	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.6
67.05515	1.7
69.03441	0.9
69.07084	1.6
69.64408	6.3
70.06608	6.6
73.02957	0.9
74.41344	0.9
81.03432	1.8
84.08144	3.4
85.02911	3.3
91.05501	1.9
93.07051	1.6
96.56044	0.8
97.02901	1.3
98.20770	2.0
103.03954	2.0
105.07026	1.7
114.09147	1.2
127.03908	2.2
127.11207	0.9
192.07838	1.9
193.12277	1.1
203.05287	100.0
411.19922	100.0
412.20218	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	412.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
56.11112	2.2
57.03416	2.3
61.02918	3.6
67.05478	2.7
69.01591	2.2
69.03438	11.0
69.83002	11.0
70.06591	6.4
71.04985	4.4
72.08157	6.6
73.02925	2.6
80.02512	2.0
81.03426	15.2
85.02918	75.8
86.82329	2.4
91.05487	3.1
97.02901	23.1
97.06543	5.3
98.20840	4.7
99.04473	35.0
103.03954	81.2
108.53968	2.5
109.02896	17.8
120.08126	15.0
127.03929	100.0
137.06021	2.0
145.04984	55.9
147.05542	2.3
151.03911	4.0
155.45477	2.6
159.04616	2.8
163.03941	4.4
163.06044	39.8
187.06053	5.1
191.04292	2.9
191.08362	2.9
192.82773	2.4
193.28722	2.1
205.07092	4.1
206.54907	2.0
229.31807	2.3
233.09709	2.4
236.08479	2.6
251.10794	3.7
267.10110	3.1
271.08115	4.9
289.09280	7.2
307.10306	8.2
412.14319	5.0
412.19626	30.6
413.21359	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	413.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49594	1.2
53.03945	2.9
55.05499	1.8
56.13743	1.0
56.96549	2.4
57.03432	3.0
60.04513	3.4
61.02907	1.1
61.14896	1.4
61.93714	1.3
63.69000	1.2
67.57362	1.3
69.03406	3.7
69.07090	1.3
69.44936	4.7
69.45348	3.4
70.06602	15.7
71.04992	1.4
72.08147	4.1
79.05477	2.1
81.03408	3.5
84.04517	2.0
84.08128	4.7
85.02912	12.5
85.06519	1.2
86.09709	3.7
91.05467	1.7
95.04987	2.8
97.02924	5.9
98.97588	3.5
99.04459	5.7
103.03955	8.8
106.00148	1.2
107.04963	100.0
109.02861	3.2
110.07196	1.4
110.97572	1.4
119.04925	1.8
120.08124	1.5
127.03944	13.0
129.10248	1.7
130.09505	1.3
131.00221	1.4
131.08186	2.1
136.06197	16.6
145.02864	1.6
145.04977	6.8
145.99268	1.2
147.04401	1.5
151.69299	1.4
157.09766	1.5
161.05988	3.9
163.05977	2.6
163.62730	1.2
169.38365	1.1
171.89278	1.4
174.06757	1.7
185.09187	2.0
198.32718	1.1
205.06535	1.9
207.08078	2.0
213.55600	1.2
219.01801	1.3
235.07397	1.8
237.02980	2.1
248.76149	1.4
249.09036	1.4
252.07796	1.4
267.10199	6.0
293.08124	2.8
311.09531	1.3
373.52890	1.5
413.12701	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	413.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.6
57.07074	1.2
67.05511	1.9
69.07072	8.8
70.06593	0.9
71.08634	1.9
71.54827	1.3
72.08159	78.9
73.06559	3.2
73.08475	0.8
75.20313	1.0
78.17944	0.8
79.16328	0.7
81.07078	3.1
83.04979	1.6
83.08649	1.6
86.09708	100.0
87.10056	0.8
91.05486	1.2
93.07030	1.3
94.10646	0.9
95.08615	1.3
97.10149	0.8
99.08099	1.1
105.07027	0.9
109.10164	1.5
112.07610	1.1
121.10143	1.7
135.11729	1.1
154.12300	1.4
163.11211	0.7
172.13329	48.4
186.14899	72.7
187.15118	1.2
200.12823	23.2
213.60004	1.0
214.14392	26.5
218.70868	0.8
285.21609	1.3
300.18048	8.6
314.19580	10.3
385.27017	8.1
413.16138	1.0
413.26553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67415	1.1
53.03953	2.0
55.05516	55.9
57.03186	1.6
57.03444	21.2
57.07081	50.8
67.05513	24.1
69.03434	1.6
69.07076	76.2
69.85172	2.2
69.85585	4.8
71.04994	1.3
71.08636	35.2
73.06567	1.2
79.05509	12.4
81.07062	33.2
81.15839	1.2
83.05000	2.9
83.08628	45.5
85.06531	2.2
85.10191	20.1
87.04558	1.3
91.05470	2.9
93.07058	15.0
95.08618	32.3
97.06548	11.3
97.10181	31.6
97.10776	2.6
98.21472	2.3
99.08083	2.9
101.06003	2.7
105.07029	1.9
107.08607	12.5
109.10167	14.7
111.08146	5.9
111.11729	10.0
113.09721	1.3
115.07602	2.0
119.08590	2.1
120.08865	1.2
121.10146	14.2
123.11678	6.6
125.09624	6.5
125.13302	2.9
126.09870	1.4
129.09142	2.1
131.01857	1.4
133.10139	1.5
135.11699	12.1
137.13293	2.3
139.11195	6.4
139.14841	1.6
143.10686	1.7
149.13295	10.8
151.14894	1.5
153.12775	4.7
157.12274	2.3
160.12538	1.1
163.14816	5.2
165.16486	1.5
167.14363	4.4
177.16438	5.2
181.15915	3.8
191.18019	1.9
195.17535	2.6
205.19557	2.4
209.19029	4.2
217.31929	1.2
219.21158	1.9
233.22493	1.4
237.22276	2.4
303.30734	6.9
314.75760	1.2
321.31519	14.0
395.35239	14.9
413.17340	1.8
413.36359	100.0
414.36597	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.378
Annotation	Adiantone
Peak:m/z	Relative Intensity
50.68747	1.1
55.05502	4.6
56.84140	1.3
57.07063	4.3
67.05504	4.7
69.07063	7.4
71.08627	2.7
74.51836	1.5
79.05499	9.6
81.07061	14.7
83.04965	6.9
83.08624	4.3
85.10178	3.0
91.05481	2.5
93.07036	4.3
95.08615	10.4
97.06537	97.3
97.10190	3.4
105.07035	4.0
107.08635	6.0
109.06523	100.0
109.10165	5.8
111.11666	1.3
113.57101	1.4
119.08601	2.9
121.10159	2.3
123.08076	14.1
123.11722	2.9
131.08621	1.7
133.10165	2.9
135.11671	3.5
145.10127	2.1
147.11732	2.0
148.67885	1.2
149.13297	2.9
159.11707	3.3
161.13261	3.1
163.11218	2.2
163.14822	2.2
173.13342	2.5
175.14720	2.0
177.12749	1.8
182.47356	1.3
189.16649	1.4
213.16391	1.5
217.15952	1.6
227.17841	1.6
255.21056	2.2
286.01767	1.3
395.36697	7.1
413.32712	4.5
413.37790	71.9
414.37961	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	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.6
56.96546	7.4
57.03440	6.7
58.81309	5.5
59.78090	5.1
65.66444	6.1
67.05502	23.1
69.07057	12.7
69.93973	26.1
70.06599	7.9
71.08630	19.7
79.05499	18.0
81.07067	17.0
83.08576	9.2
85.02886	10.9
91.05473	13.1
93.07049	25.7
95.08602	19.7
96.33684	6.0
98.20847	7.4
99.08096	19.1
105.07035	12.9
107.08607	7.0
109.10148	11.2
116.80085	5.3
119.08598	64.5
121.10175	12.8
135.11714	19.4
135.97304	6.1
137.31970	6.0
179.14334	47.8
183.25038	4.9
189.43506	5.8
217.94057	5.7
234.42072	6.3
277.21637	25.3
285.10217	7.2
308.38705	6.0
318.67123	5.7
351.25330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1389
Annotation	Aciculatin
Peak:m/z	Relative Intensity
51.96033	1.7
53.65130	1.7
65.81016	1.7
65.94257	1.9
69.62307	8.8
69.62721	3.7
74.27476	2.1
80.57854	1.6
89.03934	9.5
91.05483	7.8
97.06556	3.1
98.20795	3.4
105.09029	1.8
111.15243	1.9
117.03384	21.5
117.05514	3.5
119.04939	11.1
121.12843	1.9
134.03679	2.1
141.97551	1.8
145.02852	50.5
147.04425	32.6
149.05986	7.9
153.01863	10.1
177.05482	89.3
195.07996	2.1
221.08151	2.3
243.06583	2.0
251.09123	5.1
253.08632	4.3
255.06573	3.5
265.04834	3.0
271.06119	5.1
281.07986	1.9
297.03961	9.9
298.04749	6.9
299.05789	2.5
299.09229	6.6
301.07294	3.0
310.04675	13.8
311.05515	47.9
323.05545	6.4
339.08658	100.0
371.11456	2.1
383.11353	11.9
383.15668	1.9
397.09268	1.8
397.13010	18.1
415.14005	29.0
422.43088	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	415.1388
Annotation	Piscerisoflavone F
Peak:m/z	Relative Intensity
53.03907	0.6
53.30599	0.6
55.01859	0.7
56.96538	0.7
67.05477	1.5
69.03405	0.8
69.07020	2.2
71.55211	1.1
72.40163	0.6
79.05444	2.5
81.03376	1.4
81.07011	1.2
85.02861	1.1
95.08526	0.8
97.06538	13.5
98.97511	0.8
99.08113	0.6
105.06990	1.0
107.04924	1.4
109.02799	0.8
121.95211	0.6
122.90491	0.5
127.03847	0.9
145.03091	0.6
147.04323	0.8
153.01799	2.1
167.03366	1.7
167.07043	1.1
177.05453	0.9
181.04912	1.0
205.56279	0.7
212.16704	0.6
229.05006	1.5
253.15892	0.7
256.03775	3.9
257.04443	2.4
258.05203	1.2
271.06042	32.0
272.06781	6.1
273.07373	1.0
285.04028	1.3
286.04755	10.7
297.11230	1.2
300.06299	9.8
301.07089	10.8
301.10272	1.2
311.05502	1.0
317.11325	0.9
325.07077	2.1
339.08673	1.8
369.13260	0.8
397.12866	88.8
398.13089	2.3
415.13913	100.0
416.14078	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	415.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	11.3
57.03445	49.3
70.06611	2.9
70.85828	2.2
70.86175	2.9
71.01352	6.0
75.04488	3.0
80.23801	1.4
81.03434	1.8
84.07242	1.4
84.99384	1.3
86.09693	2.1
87.08134	1.4
98.97578	1.8
99.00827	71.6
102.05609	1.3
103.03945	2.7
107.04947	10.3
117.01861	9.7
117.65453	1.9
119.24300	1.5
125.87136	1.7
151.03943	1.7
167.03459	2.6
167.07143	2.4
173.04480	100.0
181.05022	2.2
187.51254	1.4
191.21609	1.5
207.08044	4.5
234.06750	1.7
235.07550	7.5
238.06331	1.7
252.07883	2.3
253.08623	2.7
263.06906	3.5
267.10175	3.6
295.09576	7.4
323.09235	4.8
325.07272	2.2
397.12756	9.8
415.13907	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	415.1394
Annotation	(+)-Epiexcelsin
Peak:m/z	Relative Intensity
53.00314	11.3
53.03944	3.3
55.01862	2.2
55.05500	3.4
56.96555	5.3
57.03191	3.6
57.03442	55.0
62.47940	2.0
65.03930	3.2
67.05499	3.4
69.03422	7.5
69.95274	6.1
69.95679	4.7
70.06587	13.2
71.01338	2.3
71.04987	2.5
72.08151	5.4
75.04488	3.5
79.05493	9.3
81.03415	5.6
81.07047	7.0
84.08130	3.0
85.02901	12.2
86.06078	3.3
86.09713	11.1
86.26338	2.0
91.05486	5.6
91.58927	2.1
93.07053	3.3
95.04953	11.8
95.08611	3.2
97.02914	3.9
97.06544	3.1
98.20818	2.8
98.97557	10.8
99.00191	4.4
99.00819	70.2
102.30949	2.4
105.07030	4.4
107.04957	21.7
107.08595	4.3
109.02882	5.5
109.06531	7.3
109.10141	5.8
115.05472	2.2
116.07121	3.9
116.98688	2.4
117.01845	8.2
119.04959	7.7
119.08580	3.1
121.10159	4.0
124.87637	2.4
125.05952	4.8
127.03913	8.1
131.04944	3.3
131.08542	2.5
137.06027	3.3
137.09590	14.8
139.11157	2.5
140.04437	7.9
141.04964	2.1
145.06494	6.0
145.10130	3.9
147.04411	28.5
148.04749	6.4
149.01219	3.2
149.09586	3.8
155.06108	2.6
161.05891	2.5
167.07043	24.4
167.10539	5.0
173.04468	100.0
181.04967	17.4
185.04234	7.1
186.04590	3.8
193.15715	3.5
195.08195	3.2
197.75891	2.2
201.05466	4.8
205.08441	3.0
207.08189	3.3
219.01746	6.5
233.08070	6.2
235.07556	7.8
235.16985	5.5
237.02739	4.3
253.08679	3.3
253.12425	4.0
253.18037	2.6
263.07062	6.3
267.10144	5.6
268.08765	2.8
269.73465	2.4
277.08676	3.1
279.06412	2.9
289.05496	5.0
293.05554	5.5
295.09686	8.1
301.08862	6.6
302.09390	3.9
311.07178	3.6
312.07590	6.3
323.09149	6.3
329.08340	7.4
329.14951	3.4
330.08823	12.6
334.12891	2.4
345.07822	4.0
346.08185	10.1
371.16812	10.5
387.14432	7.3
395.11749	2.3
397.12848	10.0
415.14542	67.1
416.15207	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	415.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	2.7
53.03942	3.4
54.81897	1.0
55.01881	1.5
56.92477	1.2
57.03228	0.9
57.03443	10.3
58.16375	1.0
67.05505	1.8
69.03429	5.1
70.06592	3.2
71.55060	0.9
71.55444	1.1
73.02916	2.5
79.05491	4.0
79.34135	1.3
81.03425	8.8
81.07041	1.3
83.04998	1.6
84.04517	1.7
84.08127	1.6
85.02917	12.9
86.09705	3.7
87.00845	2.3
91.05485	1.7
95.04982	1.7
95.08639	1.2
97.02892	7.9
97.06541	3.6
98.97586	1.4
99.00825	14.6
99.04483	5.4
103.03997	1.4
105.01874	3.4
105.07056	1.2
107.04957	10.1
109.02886	11.0
110.03665	2.9
111.04415	1.3
117.01834	1.5
120.08125	1.2
121.02893	2.4
123.04383	1.4
127.03932	13.1
137.06035	2.1
138.18848	1.1
145.04945	3.4
145.06377	1.2
147.04431	2.2
159.02965	2.2
163.03944	1.2
167.03409	2.3
167.07071	4.6
173.04486	20.3
173.05977	1.0
179.08542	2.7
181.05003	3.9
189.05487	3.0
195.06560	4.6
201.05452	1.7
207.08104	8.2
210.06776	1.4
217.05034	2.3
220.08925	1.3
223.07645	9.2
224.08337	40.7
225.09119	4.6
233.08186	1.5
234.06755	3.0
234.35544	1.2
235.07631	9.7
235.11261	1.5
236.08185	1.6
237.09152	1.9
238.09908	57.3
249.06056	1.1
249.09094	1.3
252.11575	2.5
253.12256	100.0
256.03638	1.6
257.04681	1.3
262.06284	3.6
263.07007	7.1
264.07831	2.1
267.10193	5.1
271.06018	8.1
277.08591	4.5
286.04739	2.9
291.08749	3.4
295.09641	11.4
300.06177	3.6
301.07138	2.0
305.07993	1.6
308.06796	1.7
323.05383	2.8
323.09167	8.9
339.08813	1.4
371.11475	2.2
397.07684	1.4
397.12885	33.9
415.13882	35.0
415.22867	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	415.1393
Annotation	Aciculatin
Peak:m/z	Relative Intensity
50.53689	1.4
51.41068	1.3
53.00318	8.2
55.01855	1.4
56.96552	1.9
57.03445	47.3
66.99792	1.4
69.03442	2.2
69.72671	7.2
70.06590	2.6
71.01347	5.2
81.03408	3.2
85.02911	4.1
86.09697	1.8
91.05503	7.2
97.02874	2.1
98.97572	1.6
99.00829	68.5
103.03953	1.7
107.04962	12.5
109.02874	5.4
117.01875	8.0
117.07025	1.7
119.04959	1.6
121.02912	2.8
124.05231	1.4
127.03904	4.4
131.04967	1.6
131.58627	1.4
145.06514	2.1
147.04408	2.8
149.06023	1.7
153.01784	2.0
161.06067	2.4
167.03436	3.1
167.07060	5.8
167.08398	1.5
173.04482	100.0
181.04929	5.2
195.06537	2.9
195.08133	2.6
197.06033	2.6
207.08035	5.8
217.04984	1.9
223.07675	2.0
235.07553	8.4
235.16924	2.1
238.06206	2.9
253.08633	3.2
258.94562	1.4
263.07059	2.5
267.10104	3.3
277.08502	3.3
295.09647	6.6
305.08231	1.7
323.09235	6.8
325.07095	5.1
341.10495	1.9
344.04541	1.6
353.10095	2.2
371.16431	2.2
387.14417	2.1
397.12894	22.9
415.14313	21.7
436.77701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1393
Annotation	yahyaxanthone
Peak:m/z	Relative Intensity
51.67534	0.7
53.03936	1.0
55.05513	1.4
55.57710	0.8
56.96562	3.6
57.03433	1.0
61.02927	2.1
65.03951	0.8
67.05500	2.4
69.03436	1.4
69.07067	2.0
71.37112	1.5
73.02896	1.6
79.05491	3.1
81.03419	1.3
81.07053	2.5
83.08617	0.9
85.02907	2.4
91.03989	1.0
91.05479	2.2
93.07057	2.2
95.04954	1.1
95.08621	2.0
97.02895	1.8
97.06520	1.9
97.10167	0.8
98.97583	1.0
99.08081	1.7
105.07037	1.1
107.04960	1.5
107.08594	1.5
109.10130	1.2
117.07024	0.9
117.23155	0.8
118.32742	0.8
119.08616	0.8
121.10144	1.1
127.03962	0.9
131.08595	1.2
135.11678	1.0
147.04352	1.2
153.01834	2.8
167.07024	0.7
181.05037	1.0
203.03439	2.0
205.58821	0.8
211.16855	0.8
213.05475	0.9
229.05032	3.8
229.07480	2.1
243.09087	1.7
257.04480	57.1
258.05246	13.1
267.09247	1.0
269.10706	1.0
274.97632	0.9
285.10165	2.3
286.04739	16.8
287.05511	18.4
301.09650	1.2
349.16962	1.4
383.11285	97.8
384.11646	1.9
395.78955	0.8
415.13913	100.0
416.14334	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	415.3572
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
53.03926	1.8
55.05307	1.4
55.05515	17.2
57.07076	13.9
66.98006	1.7
67.05505	11.0
69.07072	20.2
69.28635	13.5
71.08634	15.2
78.89957	1.4
79.05503	9.1
79.93647	1.6
81.07063	27.7
83.04985	4.4
83.08630	17.5
85.10184	6.9
89.18208	1.5
91.05482	11.3
93.07041	15.2
95.04986	3.2
95.08609	41.9
97.06534	5.8
97.10163	17.2
99.04487	1.7
99.08111	5.4
105.07032	14.4
107.04955	5.0
107.08591	19.3
109.06512	3.3
109.10152	18.3
110.80238	1.4
111.11713	7.1
117.07008	2.9
119.08582	43.5
121.06483	7.7
121.10155	11.3
122.85688	1.4
123.08094	5.9
123.11718	8.6
125.06032	2.4
125.13336	2.3
127.04013	1.7
129.06950	2.0
131.08578	9.5
133.10138	10.4
135.08069	2.9
135.11702	9.2
137.09677	2.8
137.13252	3.6
143.08571	5.5
145.10106	10.9
147.08069	3.2
147.11665	11.4
148.00778	1.8
149.09592	10.7
149.13297	6.6
155.08504	2.1
157.10118	12.7
159.11690	13.6
161.09615	7.1
161.13249	5.6
163.11188	5.4
163.14848	4.1
165.16342	1.8
169.10158	2.1
171.11720	6.6
173.13220	8.5
175.11163	22.7
175.14787	2.8
177.12756	5.0
177.16373	1.7
183.11670	4.8
185.13231	7.9
187.14847	2.9
189.12750	3.9
189.16397	1.6
197.13292	4.3
199.14838	5.8
201.16225	2.2
203.14349	4.2
211.14809	3.3
211.16849	2.6
213.16389	2.6
215.14360	4.6
217.15918	6.8
221.22694	1.7
225.16399	3.5
229.15900	7.1
231.17470	2.4
239.18073	2.6
243.17413	2.9
247.54289	1.6
253.19566	3.3
257.19022	5.4
271.20645	6.5
281.22513	1.7
327.26727	1.8
339.30438	2.7
369.35291	2.6
379.33643	10.9
395.95020	1.6
397.34689	39.1
415.35703	100.0
416.36218	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	416.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36591	0.4
53.03939	1.1
54.72707	0.3
55.05507	0.5
59.63160	0.3
65.03948	3.9
69.03439	3.1
70.98781	0.8
71.05018	0.7
72.88049	0.4
74.47330	0.3
80.05019	1.2
81.03426	3.3
83.04973	0.8
85.02915	8.1
92.05014	28.7
93.05805	3.4
94.06566	1.2
97.02906	2.8
99.04464	7.1
103.03951	5.3
109.02892	4.1
110.06053	100.0
111.06389	0.5
118.25871	0.3
127.03922	9.6
145.04987	3.6
152.07086	0.7
187.06108	0.4
197.62383	0.3
208.83218	0.4
236.09224	0.4
252.91356	0.4
254.10248	1.8
271.08109	0.7
272.11307	3.7
354.15558	1.6
380.13449	0.8
398.14508	0.8
416.15561	35.2
417.15744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01875	1.8
57.03423	3.9
61.02932	10.4
69.03428	16.8
70.98141	2.3
73.02911	3.7
81.03413	7.4
85.02908	100.0
87.04470	2.6
91.03957	5.1
92.04981	1.0
96.73956	0.9
97.02287	1.7
97.02894	27.0
99.04449	4.4
109.02889	9.3
115.03977	1.3
123.72703	0.9
127.03926	26.6
136.48007	1.0
145.04970	55.0
163.06017	31.6
194.52310	0.9
203.47601	1.0
237.13408	1.8
341.39719	1.1
427.62741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01874	1.8
56.44893	0.8
57.03440	4.0
61.02936	9.0
69.03435	16.7
70.06580	3.0
71.04986	1.8
71.26958	0.9
71.27303	1.8
72.08153	2.3
73.02914	3.3
81.03425	6.6
85.02909	100.0
86.09719	2.3
87.04479	2.8
90.33468	0.8
91.03944	5.4
97.02895	24.7
99.04454	2.3
101.02422	1.2
109.02888	10.0
115.03897	0.9
116.07035	0.9
127.03925	25.7
145.04968	56.8
158.49483	0.8
163.06026	24.9
163.07405	1.4
183.58427	0.8
199.25230	1.0
237.13274	1.7
267.52924	1.0
330.34802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.155
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02389	0.3
53.03942	0.7
55.01864	0.4
56.96566	0.3
65.03951	1.6
66.04729	0.3
67.05502	0.9
68.99788	0.2
69.03428	0.4
70.06590	0.6
77.03923	0.3
78.04721	3.1
79.05508	1.5
81.03429	0.3
81.07068	0.3
82.04203	0.6
84.04516	0.4
85.02922	1.3
86.09696	1.1
91.05493	1.6
93.03413	0.4
93.07072	0.3
93.62800	0.2
95.04971	1.1
97.06529	0.6
97.10137	0.2
103.05489	1.5
105.03410	0.3
105.07059	0.3
106.04190	1.8
107.04993	1.5
108.02078	0.4
109.02811	0.3
109.06570	0.3
109.10217	0.2
110.03664	0.9
111.04455	0.4
115.04683	0.3
115.05476	3.5
117.07029	6.0
119.08540	0.3
121.06522	0.3
122.03676	0.4
123.04451	8.7
124.05240	2.3
125.05997	0.6
127.05448	0.8
130.04167	0.2
131.04941	0.5
132.05786	0.2
134.03644	0.6
135.04413	0.2
137.05986	0.6
138.03123	0.5
142.02643	0.8
143.04988	0.4
144.05765	0.3
145.06503	8.6
147.04387	0.2
147.08063	0.6
151.03918	1.5
152.04732	2.0
153.01845	0.3
153.05490	0.5
155.04834	0.4
155.06042	3.8
159.04369	0.2
161.06009	0.3
163.03908	0.3
166.04890	0.2
167.07063	100.0
168.04219	0.2
168.07411	1.0
171.06557	0.7
173.06007	16.1
174.06633	0.3
175.07629	0.6
181.04984	19.8
190.06273	0.3
191.07047	0.5
201.05498	0.8
203.07019	0.3
204.02914	0.2
205.04826	0.2
205.08623	3.4
207.10219	0.4
221.08157	0.3
222.04024	0.5
233.08119	7.1
235.09689	3.7
247.07776	0.3
265.05392	0.2
297.08093	0.2
311.10483	0.2
315.09659	0.2
323.09122	0.3
339.09692	0.3
343.09113	0.5
357.10699	0.3
367.09146	0.8
385.10345	0.6
387.14432	13.9
388.14639	0.3
399.13583	0.7
417.15494	28.2
418.15900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1548
Annotation	(-)-Podorhizol
Peak:m/z	Relative Intensity
53.03937	3.2
55.05509	3.0
56.66721	1.6
56.96558	5.1
65.03935	2.8
69.03432	5.5
69.07072	4.8
69.74142	9.2
70.06245	2.9
70.06599	27.5
72.08160	15.1
73.81435	1.9
77.03915	2.3
79.05494	10.4
81.03418	4.2
81.07066	4.2
84.04519	4.4
84.08151	5.4
85.02913	9.9
86.09706	27.7
87.10048	3.1
91.05490	6.9
93.07024	2.3
95.04980	5.6
97.02914	3.7
97.06512	3.3
98.20708	2.3
98.97593	5.6
99.04444	2.6
102.05482	2.0
103.05464	3.6
105.07046	3.0
106.04198	2.0
107.04964	29.4
109.02879	2.3
110.03672	2.2
110.06074	3.4
110.07183	6.9
110.97592	3.0
115.05480	4.9
116.98634	3.6
117.07013	10.7
120.08126	2.4
123.04444	5.9
123.73083	1.9
124.05230	6.5
125.06009	2.9
127.03946	5.8
128.06227	2.9
129.07011	4.5
129.10277	4.0
131.04929	3.7
133.02853	2.8
133.06516	2.5
134.93208	1.9
135.08011	2.0
136.07576	4.0
145.04977	2.4
145.06494	17.0
147.04483	2.5
148.50154	2.0
155.04913	2.9
155.06055	4.2
156.05676	3.3
157.06483	6.5
161.06026	3.6
162.07687	2.4
167.07054	100.0
172.05180	3.4
173.05972	16.8
175.03963	2.4
175.07460	2.4
177.66043	1.7
181.04967	34.5
183.06535	3.1
185.05852	1.7
187.07498	3.2
191.06987	2.4
201.05498	6.7
205.08661	7.0
211.14790	1.8
217.08530	9.1
218.05681	12.7
219.01823	2.6
219.06404	3.5
221.06004	2.9
221.09496	2.5
229.15479	3.9
231.06378	4.4
233.08083	45.1
234.06784	3.1
235.07585	3.5
235.09671	3.9
236.08347	2.8
245.08156	7.9
247.07616	3.4
249.05463	2.2
249.09341	2.8
251.07014	2.4
255.09270	2.5
263.06918	3.4
263.09219	4.9
275.07022	2.6
277.08652	2.7
279.10223	3.0
280.07224	2.0
281.08069	3.3
284.53082	2.5
291.06525	3.2
293.07974	2.8
307.09561	5.5
309.07657	2.7
324.09714	2.6
335.09091	3.1
337.10913	2.4
339.12170	5.9
353.10181	3.4
355.11774	4.2
367.11841	20.1
368.12506	4.7
371.14908	3.5
384.11990	3.2
387.14182	11.9
399.14618	9.6
417.15518	39.5
418.15207	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01881	0.9
55.05518	10.5
55.91158	0.6
56.05044	0.8
56.96576	1.8
57.03430	1.4
61.02918	0.8
62.35001	0.6
67.05513	1.5
69.03439	2.0
69.07088	1.6
70.06602	12.5
71.54913	0.9
72.08164	100.0
72.87362	0.6
79.05530	1.9
81.03416	1.5
81.07064	2.1
84.04533	0.9
84.08166	2.2
85.02917	3.1
86.09716	47.9
87.10040	1.1
88.03997	2.7
91.05521	2.1
94.27752	0.6
95.04990	1.3
97.02888	1.2
97.06547	0.8
98.97602	3.9
102.05560	4.5
105.03426	2.6
105.07056	0.8
107.04987	2.5
107.08609	1.1
109.02897	1.8
109.10207	0.8
110.03637	0.7
110.06085	0.7
110.97592	0.8
115.05515	1.1
116.98631	1.3
117.07000	0.7
119.04959	2.2
119.08615	0.7
120.08149	1.1
121.02896	1.1
121.06570	0.9
123.04478	1.6
127.03953	2.0
128.98624	0.7
129.10242	1.6
130.06598	1.2
135.08118	0.6
143.11818	25.8
145.06480	1.5
147.03334	1.2
147.04439	8.9
148.06065	11.4
151.03972	0.7
151.11232	0.9
153.01971	0.7
157.06554	0.9
159.09216	0.8
167.07062	15.3
171.11302	19.2
171.12698	1.1
177.00716	0.8
181.04985	5.5
191.07172	1.7
201.05597	0.7
201.12389	1.4
217.08588	0.9
219.01874	1.6
225.16026	5.3
229.11966	1.5
232.07968	2.3
233.08176	2.7
237.02950	1.9
247.12918	16.6
261.14590	1.1
270.18124	5.7
279.03934	0.9
294.53879	0.7
367.12021	0.9
387.14603	1.3
417.07376	0.8
417.15820	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	417.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05511	10.3
57.03448	8.9
57.07073	4.2
57.89455	1.8
59.54068	1.9
59.96061	1.9
67.05176	3.0
67.05510	49.3
69.07068	12.1
71.08628	5.5
79.05508	13.0
81.07064	64.4
83.04965	1.7
83.08620	10.0
85.06565	2.2
85.67533	1.9
91.05480	11.9
93.07052	16.9
95.04986	2.4
95.08614	56.0
97.06546	6.2
97.10179	4.6
98.98473	81.5
99.08082	3.7
103.81786	1.8
105.07049	9.3
107.08618	11.8
107.21445	2.0
109.10168	25.7
111.08067	4.1
116.99451	2.3
119.08559	10.0
121.10144	14.3
123.11711	14.3
125.09706	2.2
133.10109	9.2
135.11725	5.0
137.13245	8.3
140.01157	2.0
147.11688	8.6
149.13252	8.6
151.14813	6.2
155.01054	100.0
161.13264	6.1
163.14844	7.0
165.16441	2.7
175.14833	4.7
196.03841	2.1
235.24284	2.0
245.22670	20.7
263.23734	54.5
273.36514	2.4
417.31589	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	417.2792
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03949	5.7
54.51661	4.1
55.05504	13.6
55.16617	4.1
57.07057	4.9
63.95168	4.5
67.05504	23.4
69.07052	13.5
69.87980	4.2
70.09305	7.6
70.09697	8.8
71.04992	10.1
74.40384	3.9
75.74791	3.9
79.05500	25.2
79.79218	3.9
81.07057	34.6
83.08602	10.4
91.05490	32.2
93.07069	34.7
95.05003	9.9
95.08611	37.8
105.07047	70.3
107.08591	45.7
109.06536	70.9
109.10178	25.8
111.08170	7.1
113.50732	3.7
117.07027	16.5
119.08581	69.8
121.06471	7.7
121.10153	63.2
123.08083	11.0
123.11729	21.5
128.06239	12.8
129.07054	12.9
131.08585	34.2
133.10138	54.4
135.08067	11.8
135.11705	35.8
141.07047	8.7
142.07785	15.3
143.08571	33.2
145.10123	44.5
147.08049	17.5
147.11702	24.7
149.09625	11.1
155.08563	20.0
156.09386	15.3
157.10136	45.0
159.08064	8.4
159.11664	26.5
161.09608	15.2
161.13339	7.7
165.07048	9.6
167.08566	11.4
168.09364	8.4
169.10126	31.1
170.10880	5.3
171.11641	27.4
173.09644	10.8
173.13295	29.3
175.11214	11.2
175.14867	14.8
179.08546	12.6
180.09262	6.1
181.10126	14.0
182.10950	8.2
183.11687	24.7
185.09622	11.5
185.13292	15.4
187.11189	8.5
187.14813	13.4
193.10120	13.0
194.10925	11.9
195.11743	23.4
196.12357	4.5
197.09660	7.7
197.13210	14.2
199.11189	6.7
199.14832	9.3
201.12683	5.5
206.10918	6.1
207.11742	11.6
208.12527	5.0
209.13286	17.4
211.11182	5.3
211.14830	15.8
213.12778	8.9
213.16335	9.0
218.10854	6.1
219.11678	12.7
220.12488	8.8
221.13252	20.5
223.11334	4.8
223.14832	10.2
225.16267	9.8
227.14384	5.0
230.11032	5.2
231.11617	5.2
233.13315	14.0
235.14795	13.8
237.12762	8.7
237.16373	5.2
239.17964	7.4
241.19464	6.6
243.99077	6.6
244.12653	4.9
245.13315	8.8
247.14801	10.6
249.16483	7.3
251.14375	10.6
253.15858	7.3
259.14917	5.5
262.03937	4.6
275.17917	4.9
277.15848	7.8
279.17413	6.1
285.16150	7.2
297.21582	5.7
306.61862	4.7
315.21228	6.1
319.20560	6.3
329.22586	5.0
341.22739	6.7
357.25867	8.9
359.23486	10.7
375.26849	9.8
381.25000	5.0
399.26865	32.7
417.19946	8.6
417.27823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97094	0.8
52.54153	0.9
55.02401	1.0
65.03947	1.2
69.03408	1.1
70.06593	7.3
70.89741	2.1
72.08159	3.3
84.08130	1.1
85.02889	2.1
86.09712	2.2
88.02441	0.8
91.05473	6.0
95.02840	0.9
97.02901	0.8
98.97565	0.9
119.04940	15.8
120.67739	1.0
123.39164	1.0
127.03924	1.3
147.04417	100.0
148.32545	0.9
167.07094	1.2
181.05023	1.4
213.09015	0.9
228.08823	1.1
279.52048	1.0
402.31793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90952	0.3
56.96562	0.4
58.33615	0.2
61.02924	0.5
65.03925	0.4
69.03420	0.7
70.06588	1.0
70.93483	0.6
72.08154	0.7
80.60937	0.3
81.03445	0.8
84.04475	0.3
84.08140	0.8
85.02909	2.3
86.09700	0.7
91.05489	5.4
91.06020	0.2
97.02917	0.7
98.97591	1.0
99.04471	0.4
109.02885	0.6
119.04959	16.1
127.03941	0.5
135.94188	0.3
145.04997	0.6
147.04424	100.0
148.04773	0.9
164.92844	0.3
167.07069	1.4
168.07349	0.6
181.04913	0.3
218.08142	0.6
223.07373	0.3
239.09189	0.7
256.37436	0.3
309.09848	0.3
374.12158	0.4
418.15555	0.9
419.15259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
52.15408	0.6
53.03953	6.2
55.01872	1.5
55.05513	2.8
56.96560	0.6
57.03434	1.4
59.03922	0.6
61.02933	1.3
63.17830	0.6
63.77940	0.7
65.03947	1.6
67.05508	2.3
69.03438	4.6
69.07081	2.0
71.05003	0.9
73.02923	1.1
77.03937	1.5
79.05064	0.8
79.05502	11.5
81.03429	6.4
81.07066	1.7
85.02911	13.0
87.00848	4.4
91.05490	24.2
93.07053	82.7
95.04982	4.4
95.99623	0.7
97.02892	4.6
98.21447	1.5
99.04454	3.4
99.05568	0.9
105.01884	4.8
105.04536	2.1
105.07048	7.4
107.08604	100.0
108.04471	1.5
108.08952	1.1
109.02901	4.8
109.06529	2.3
109.10216	0.7
117.01859	0.7
119.06083	1.7
127.03915	7.7
135.11708	31.1
139.12338	0.9
145.04997	4.9
147.04430	1.5
159.02921	3.3
167.07109	3.0
168.07358	1.1
174.06511	0.7
181.04968	0.8
182.05243	0.9
195.11285	3.2
203.80376	0.7
231.04997	2.0
240.32857	0.6
388.14459	0.9
418.15356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.6
51.02379	1.0
53.03701	0.4
53.03952	4.0
55.01875	1.4
55.05518	2.7
56.96560	0.3
57.03448	0.6
57.07076	0.3
61.02934	0.5
65.03948	2.4
67.05510	1.4
68.67157	0.2
68.99797	0.4
69.03433	2.5
69.07080	1.8
69.60889	0.4
69.61298	1.1
71.05006	0.3
73.02924	0.8
77.03948	1.1
78.04726	0.4
79.05502	10.3
81.03432	3.6
81.07059	1.7
83.05020	0.2
83.08649	0.3
85.02914	7.4
87.00848	3.6
91.05492	31.3
92.05781	0.3
92.06310	0.3
93.07056	92.8
94.07389	0.8
95.04382	0.3
95.04983	5.3
97.02898	3.4
97.06541	0.4
99.04477	1.7
99.16534	0.2
101.24940	0.2
102.45596	0.2
105.01871	2.5
105.04533	2.4
105.07049	7.4
106.04161	0.5
107.00290	0.3
107.08607	100.0
108.04484	1.0
108.08943	0.9
109.02891	2.7
109.06527	2.7
112.89687	0.2
117.01840	0.5
117.07011	0.2
119.06080	2.1
119.08598	0.6
121.10161	0.3
126.05576	0.4
127.03933	5.3
133.10052	0.3
135.11710	17.3
145.04994	2.3
147.04486	0.3
159.02902	1.7
163.03938	0.3
167.06998	0.8
168.07414	0.7
173.11678	0.3
213.03922	0.3
221.03073	0.3
229.14197	0.5
230.06572	0.4
231.05042	1.3
248.07664	0.5
372.04834	0.2
418.15945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12982	1.7
56.96557	1.7
65.25628	1.3
69.07056	1.9
69.99269	5.6
70.06586	2.3
74.06065	1.4
84.04508	2.5
84.08151	3.3
86.09705	4.2
98.20763	1.8
98.97596	3.0
101.95253	1.3
103.05473	5.9
103.80074	1.5
110.06057	3.9
112.03914	2.0
120.08112	100.0
129.10231	2.6
131.04906	2.6
134.05943	1.9
149.06017	1.9
152.07083	6.5
158.99641	2.4
166.08649	45.3
170.08176	2.1
174.94183	1.7
186.79182	1.3
192.67953	1.5
200.13846	1.7
201.64436	1.3
210.40779	1.5
212.06093	2.3
285.10895	2.3
286.11761	3.6
318.82095	1.7
364.32559	1.7
418.26791	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	419.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45069	0.9
57.53745	1.0
58.52010	1.2
62.15297	1.0
69.82251	5.5
70.06579	1.7
86.09707	5.4
93.82182	0.9
94.39246	1.0
98.97568	1.1
99.06426	0.9
118.87974	1.0
153.12747	1.6
163.90877	1.1
169.72368	1.0
171.09956	13.0
177.05537	1.3
181.04974	1.9
199.09438	8.1
200.97412	1.3
315.14261	2.6
333.15253	28.1
375.16296	94.1
376.16876	2.0
419.15298	100.0
420.15576	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	419.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95283	5.2
53.03962	5.6
53.04420	4.5
55.01871	12.2
55.05510	9.6
56.96564	18.6
57.03454	5.1
59.14165	4.9
61.29978	5.2
65.03941	6.1
68.05039	5.2
68.85105	4.6
69.03429	8.3
69.07071	6.2
70.06596	34.0
71.05014	5.7
71.55040	7.6
72.08155	21.7
75.04468	7.8
76.40619	4.7
77.99085	5.8
78.04710	5.3
78.52796	5.0
79.05479	15.6
81.03437	7.2
81.07063	4.9
82.06565	5.4
83.04974	6.9
84.08147	10.3
85.02914	14.9
86.09692	15.9
91.05476	27.3
93.03419	11.6
93.07061	8.0
95.04977	9.2
97.06493	6.1
98.97580	23.8
99.00903	5.6
103.05500	16.1
105.07043	28.0
106.04182	19.3
107.04948	16.4
107.08595	5.6
109.02943	4.8
110.97512	7.1
111.74714	5.3
115.05430	7.6
116.07092	11.7
116.98605	6.0
120.08115	12.2
121.02892	8.9
121.06525	40.5
125.06059	6.0
127.03928	8.7
129.06978	5.1
133.06511	25.5
137.06020	16.9
144.05675	5.6
145.06532	10.5
147.04355	6.8
149.06010	42.0
152.08347	7.3
153.09071	6.0
153.12750	10.8
156.05664	6.8
159.08049	8.3
161.05994	40.2
163.04039	8.7
163.07497	10.5
167.07072	55.3
167.08440	7.1
168.07411	13.0
171.13795	5.4
173.04642	5.7
173.06071	12.4
177.00700	6.3
177.05489	21.2
181.04933	17.4
181.06471	6.9
181.08598	27.0
183.08153	8.0
187.07532	5.5
188.07083	5.6
191.07004	12.1
192.13795	6.8
193.08633	39.3
195.08116	7.2
197.05974	6.1
203.07178	6.0
205.06560	7.4
205.08395	5.9
205.10126	6.3
206.07417	7.6
209.08080	42.6
215.06970	8.1
217.08632	16.7
218.07359	6.7
219.01746	12.1
219.08083	17.9
219.10101	7.3
220.08730	7.1
221.06055	6.2
221.09688	7.5
225.08952	5.8
231.08069	10.0
234.06746	9.7
235.07582	13.7
236.08327	10.2
237.02869	6.4
237.09071	9.5
243.10146	7.8
247.07582	18.8
248.08279	12.3
249.09129	11.8
250.06039	7.0
251.07167	6.7
251.10527	6.5
253.08678	7.9
263.07101	18.7
263.10721	7.1
264.07837	18.3
265.08585	16.3
267.10278	7.2
269.11801	6.0
276.07919	9.0
277.08542	14.3
279.10181	18.7
280.10901	7.6
281.11682	9.1
283.09659	6.2
291.10178	7.8
292.07172	5.5
293.08084	12.1
295.09784	18.8
296.10458	7.7
297.11044	9.4
304.15671	5.9
307.09540	24.2
309.11288	9.0
311.09201	5.5
311.12729	11.7
312.09763	6.1
313.10843	6.7
319.10257	7.5
323.12695	8.1
327.12073	7.4
329.13745	8.4
337.11282	20.5
339.12296	13.7
341.13950	8.4
343.11731	6.5
359.14886	32.2
369.13516	39.8
371.14856	6.2
373.16440	14.3
383.14923	41.3
387.14444	100.0
391.17471	50.8
401.15723	12.8
419.11063	11.7
419.17020	24.5
419.21866	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	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96005	10.0
52.40604	9.2
52.58624	10.2
53.03938	15.2
55.01871	21.7
55.05506	30.8
56.96542	13.3
57.03439	24.2
57.07072	33.4
61.02914	18.2
67.05507	18.6
68.69680	10.4
69.03432	32.8
69.07066	26.2
70.06598	100.0
71.55029	12.5
72.08167	62.1
74.06068	10.0
79.05494	13.4
81.03428	31.5
81.07047	41.1
83.04973	11.2
84.08161	25.3
85.02916	88.8
85.06553	26.0
86.09717	71.3
87.00815	26.7
91.05479	24.9
93.07077	17.2
95.04990	16.3
96.95038	10.2
97.02908	44.0
97.06595	12.1
98.06007	12.4
98.97599	45.2
99.04478	39.7
99.08099	42.2
103.86088	9.1
105.01862	16.8
106.87766	10.0
107.04948	11.5
107.08594	19.0
109.02861	23.5
109.10152	25.8
116.98617	15.3
119.08604	12.9
120.08140	21.0
121.06529	16.2
127.03933	48.1
128.98602	15.9
129.10275	12.4
135.08043	13.5
136.07602	33.4
145.05002	29.2
145.06450	15.9
148.51688	11.5
151.03905	20.6
151.11281	15.7
153.12807	32.4
155.14340	65.3
157.76549	10.4
158.12102	9.4
159.02879	19.6
167.06985	12.3
171.13864	24.4
173.13005	14.7
177.05472	15.7
177.12697	17.9
181.04886	13.0
182.08153	55.5
184.09692	30.0
192.13783	51.1
195.13882	13.8
219.01730	16.1
228.08699	43.3
237.02956	20.2
293.08957	28.4
304.15372	26.1
315.08850	16.0
330.11005	19.3
335.10117	18.0
339.14166	11.5
375.08707	14.9
419.16306	17.6
419.21545	66.7
434.29056	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01857	2.2
53.03952	9.8
53.57548	2.0
54.59023	1.9
55.01870	10.8
55.05511	6.0
57.03445	12.1
57.07086	23.9
59.05010	12.8
61.02909	8.6
63.16290	2.3
66.56284	1.8
67.05514	13.0
67.54058	1.7
67.69650	2.2
68.99774	3.4
69.03090	2.4
69.03431	39.2
69.07077	16.4
70.06590	6.8
71.05006	11.8
71.55148	2.4
72.08147	3.7
72.32757	1.9
73.02908	6.1
81.03423	39.7
81.07046	9.5
83.08620	5.0
84.08175	3.6
85.02914	83.5
85.06545	9.9
87.00832	28.2
87.04414	2.2
91.03968	2.8
91.05470	4.0
93.07022	5.2
95.04987	4.8
95.08611	71.3
97.02897	27.4
97.06513	7.4
99.04483	18.0
99.08105	14.7
105.01876	26.6
107.08603	11.5
109.02882	38.1
109.06572	9.7
109.10156	15.1
111.08111	9.7
111.11654	3.9
113.09656	64.1
114.09982	2.6
115.03933	4.1
115.24722	2.2
117.01841	4.4
123.00705	1.9
123.04390	2.6
127.03928	55.7
127.11173	6.5
129.01845	4.1
135.11679	14.7
137.13278	7.6
145.04961	26.0
147.02884	3.8
150.78825	2.2
151.07539	2.6
153.12753	100.0
155.14314	24.1
159.02904	22.7
167.07101	3.9
171.13811	18.4
177.12744	2.4
181.04964	5.1
208.07327	2.3
213.03987	3.2
213.14938	2.8
219.04935	2.1
231.05035	12.5
276.16351	2.4
289.01651	2.6
365.15347	2.4
419.15170	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	420.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.1
56.96569	3.2
69.03435	1.9
70.06594	7.0
71.54874	0.9
72.08170	1.4
80.16668	1.0
81.07052	2.0
82.06591	1.2
84.04520	1.9
84.08153	2.5
85.02905	3.6
86.09711	7.4
94.04189	3.2
97.02918	2.0
98.97606	2.7
107.04956	1.5
116.98663	1.6
120.08108	1.3
121.02892	2.4
122.03680	7.9
124.03954	1.7
127.03930	2.5
129.10266	1.3
136.07619	1.6
137.05991	100.0
142.08618	8.1
145.05077	1.1
163.03941	1.2
219.01819	1.1
245.06337	1.0
306.06577	1.1
346.15125	1.4
348.61090	0.9
361.32870	0.9
376.09772	2.0
420.08698	8.1
420.14001	1.4
420.16449	2.1
420.21924	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
54.96446	1.1
55.01875	3.6
55.05506	3.7
56.96584	2.1
57.03441	2.2
57.07073	2.7
61.02927	2.4
63.97054	1.0
65.03937	1.2
67.05525	8.5
68.99804	1.9
69.03143	1.1
69.03444	13.5
69.07082	6.0
71.01337	1.0
71.04977	2.1
71.35495	1.7
73.02927	3.6
79.05509	10.7
81.03428	12.0
81.07066	100.0
83.08620	2.5
85.02918	34.2
85.45710	1.3
87.00845	13.1
91.05491	6.3
93.07047	4.9
95.04971	2.4
95.08049	2.1
95.08620	22.7
97.02905	14.1
97.06530	1.9
99.04451	4.9
102.12926	1.0
105.01881	16.4
105.07047	4.0
107.08603	2.8
108.04505	1.1
109.02909	8.5
109.07623	1.1
109.10165	4.5
111.08092	2.7
111.11742	1.5
112.13309	1.2
115.03973	1.2
117.03426	1.3
119.04916	1.7
119.08599	2.6
121.10128	1.2
124.51448	1.0
127.03934	26.4
131.08519	2.3
133.06461	1.2
133.10135	1.4
135.08102	1.2
135.11702	2.0
137.13268	18.7
145.04988	13.1
147.04414	8.9
147.08032	1.4
147.11679	1.2
148.76125	1.0
153.09126	2.5
153.12796	1.7
155.14323	2.1
157.10054	1.3
159.02962	5.8
163.11336	1.1
177.03987	1.3
183.28288	1.0
195.10130	2.5
203.10777	1.3
204.96722	1.1
231.05054	6.9
245.15350	1.4
329.21222	1.6
394.80881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
54.66315	1.3
55.01872	2.1
55.05511	4.7
56.96560	4.3
57.03441	2.4
57.07064	1.5
65.03951	2.2
65.99145	1.5
67.05508	6.4
69.03442	10.6
69.07074	4.4
69.36352	10.1
70.06588	2.9
71.04993	2.7
75.21127	1.3
77.03900	1.3
79.05505	12.1
81.03442	6.7
81.07070	9.8
82.60641	1.3
83.04990	4.1
83.62820	1.3
84.04513	1.9
84.08095	1.3
85.02905	4.1
86.05000	1.2
86.09709	2.5
87.00822	2.6
91.05486	14.0
93.07052	6.8
94.04186	4.9
95.04961	4.4
95.08553	2.2
97.02886	5.7
97.06524	5.4
98.21468	2.2
98.97571	1.5
99.04463	3.4
103.05470	9.6
105.07046	33.8
107.04968	7.1
107.08607	20.8
109.02882	5.0
109.06526	2.9
109.10157	7.8
115.05476	10.8
117.03439	1.3
117.07052	2.6
118.04184	2.0
119.08598	6.0
121.06518	2.9
121.10152	13.2
122.03653	8.0
122.07314	7.3
123.04431	2.8
123.08107	1.7
127.03914	14.2
128.06221	4.5
129.07013	2.6
131.04947	6.4
131.08562	4.6
133.06520	16.1
133.10141	100.0
135.04411	1.5
135.08081	8.0
137.05986	74.8
137.09622	58.5
143.08598	3.1
145.06490	1.5
145.10098	3.0
146.03613	4.6
147.04391	4.0
147.08014	1.6
147.11685	4.8
149.05989	3.9
149.09642	3.5
149.13269	7.7
151.07477	1.7
155.08589	1.7
159.08015	2.9
159.11682	1.7
161.02409	1.5
161.05995	60.9
163.03923	5.2
163.07533	3.8
163.14792	2.4
165.03926	1.3
165.06963	1.5
167.07036	4.0
168.05579	1.7
171.08012	2.9
173.02403	2.2
173.05957	2.3
173.13293	7.5
175.07590	4.1
179.07056	1.7
183.06517	3.4
183.08002	1.8
184.05215	4.4
187.07582	3.0
191.08557	3.7
191.14326	43.3
192.09396	1.8
199.07555	32.1
201.09059	2.5
202.07748	17.4
203.08568	19.4
205.06511	3.3
211.07733	1.5
213.04022	3.5
215.07025	3.0
219.08095	8.2
220.08911	9.2
229.08655	9.8
230.07277	2.9
231.05563	1.5
231.08063	41.1
232.08824	7.4
237.09242	2.3
247.07492	7.4
248.08347	19.3
249.09084	3.2
258.06866	3.1
259.07501	25.5
259.09793	3.2
260.08337	17.9
263.10727	13.7
265.08585	2.5
275.07043	4.5
276.07764	14.5
277.08658	2.9
279.01730	1.9
285.10345	1.8
291.10165	93.5
292.10880	6.0
293.08026	1.6
295.13312	4.0
299.16354	2.0
308.10516	3.3
323.12778	41.3
325.06418	2.2
401.08188	1.4
403.17664	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	421.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.9
69.03419	1.1
69.73011	1.4
69.73421	0.8
70.06597	0.7
72.08165	0.4
73.14040	0.4
84.04462	0.6
85.02898	1.3
86.09700	0.7
97.02872	0.9
98.97593	1.9
119.01920	0.6
127.03892	0.5
131.01955	0.4
155.01907	0.6
158.99687	0.5
181.05042	0.4
189.00710	0.4
203.03966	0.5
219.01833	0.5
219.06987	0.9
221.05099	0.5
222.04631	0.6
231.05254	1.6
237.02863	0.9
241.07556	0.6
243.08730	0.5
245.05077	1.9
277.86356	0.4
281.03455	0.4
293.09198	0.8
303.07382	0.4
340.10773	0.6
361.11203	0.5
363.09637	0.6
421.16852	100.0
422.17072	2.4
437.13333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1687
Annotation	Pomiferin
Peak:m/z	Relative Intensity
52.41470	0.3
60.30189	0.3
69.62514	0.3
70.98499	0.6
75.36315	0.3
98.76001	0.3
100.49141	0.3
110.34113	0.3
119.01938	0.4
139.02602	0.3
143.01979	0.4
145.03543	0.3
148.95476	0.3
152.83443	0.3
155.01938	0.4
157.03465	0.4
159.43315	0.3
172.15994	0.3
203.03935	0.4
219.07005	0.6
221.05188	0.6
245.05125	1.9
257.05173	0.5
259.11429	0.4
315.20688	0.3
329.09985	0.3
421.16864	100.0
422.17172	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	421.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
54.24079	3.9
55.01863	11.3
55.05499	17.6
56.05032	10.7
57.07065	9.9
60.04524	5.2
61.01152	9.1
67.05507	12.0
68.99796	5.8
69.03428	24.5
69.07075	21.1
70.06250	6.8
70.06602	100.0
71.04998	6.2
71.55094	6.1
72.07784	7.0
72.08161	59.7
74.06052	4.4
79.05500	22.0
81.03426	26.3
81.07044	20.3
83.04982	13.3
83.08615	7.3
84.08146	13.8
85.02925	25.9
86.09701	11.4
87.00812	9.4
91.05478	35.6
93.07057	27.6
95.04949	9.2
95.08626	19.0
97.02918	43.4
97.06517	12.1
98.70089	4.1
99.04465	6.2
104.05329	8.4
105.07050	27.9
107.04932	4.9
107.08607	53.7
109.02871	24.3
109.06522	8.2
109.10152	22.4
111.04433	14.4
115.03915	5.4
115.05476	5.4
116.07117	37.6
117.07029	14.2
119.04952	5.2
119.08596	42.2
121.06517	11.3
121.10165	39.3
123.04352	5.3
123.08109	9.0
125.02369	86.2
127.03927	28.7
129.07036	7.2
129.10237	10.0
130.06500	9.9
131.08591	28.5
133.10149	37.1
133.36009	4.7
135.08084	21.2
135.11667	11.2
136.07594	47.1
137.07896	4.1
141.07039	7.8
143.08545	11.0
145.06479	8.8
145.10130	28.6
147.08148	5.1
147.11702	30.0
149.09630	8.8
149.13278	18.2
155.08549	5.2
156.09383	11.0
157.10152	12.3
158.10899	14.2
159.07999	8.2
159.11667	14.7
161.09636	8.0
161.13264	14.2
163.07559	5.1
163.14836	4.8
169.09993	6.0
171.11671	15.8
173.09634	5.5
173.13306	73.0
175.11163	6.8
175.14905	23.4
183.11650	5.1
183.14975	8.7
185.09702	5.7
185.13257	9.2
187.07495	4.5
187.14682	5.5
189.12769	17.3
191.14326	40.2
193.15936	9.2
197.13229	4.0
203.14246	7.4
207.11414	4.7
211.14694	4.6
213.03885	8.5
213.12756	5.9
215.14395	6.7
231.13681	4.5
235.14529	9.2
239.14177	5.8
246.14987	6.1
251.08220	5.2
263.13986	4.9
271.16949	4.5
279.07712	6.0
281.15390	9.9
299.16431	12.6
317.17499	33.4
325.08298	9.6
343.09180	9.0
353.07867	5.1
360.04208	4.0
403.17441	8.7
421.18652	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.05508	1.8
59.10733	0.6
65.03929	0.9
67.05509	3.2
68.99800	1.4
69.03442	7.4
69.07056	1.7
70.99278	1.4
71.04987	1.2
79.05499	7.1
81.03428	3.9
81.07055	6.4
83.04995	3.4
85.02912	1.6
85.27383	0.5
87.00826	2.3
89.06051	0.6
91.05492	7.8
93.07040	4.1
94.53555	0.8
95.04982	1.2
95.08619	2.4
97.02917	2.7
98.97569	0.8
99.04475	0.7
103.05486	1.0
104.49191	0.7
105.07039	8.8
107.04955	3.8
107.08604	21.9
109.02896	4.4
109.06541	2.8
109.10168	7.2
111.08089	0.7
115.05464	2.3
117.07036	2.4
119.06120	0.8
119.08576	3.9
121.06514	2.5
121.10160	11.2
122.07291	7.3
123.08080	2.2
127.03926	13.3
127.04805	1.0
131.08534	3.9
133.10143	100.0
134.10489	1.7
135.04443	0.6
135.08061	8.1
135.11700	1.5
137.09628	60.2
138.09995	1.4
143.08575	1.5
145.04939	1.2
145.10086	1.6
147.11687	1.9
149.09613	2.2
149.13266	8.1
158.10904	1.2
163.11272	0.9
163.14850	1.6
173.13277	5.9
191.14316	42.9
192.14700	0.9
195.02841	0.6
213.03963	4.5
231.05052	1.5
265.54700	0.6
301.87158	0.6
317.17569	1.2
335.18716	1.2
403.17822	1.2
409.35046	0.7
421.18524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2585
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03942	4.0
55.01868	9.0
55.05511	30.6
56.33778	2.1
56.96554	2.9
57.03449	12.5
67.05505	78.2
69.03416	6.8
69.07082	12.9
69.26931	10.4
69.27357	9.6
71.04980	6.7
79.05495	43.1
81.03422	34.0
81.07059	40.5
82.46768	2.2
83.04976	6.7
83.08624	17.0
85.02901	2.9
85.06536	3.5
91.05481	52.6
91.06019	4.3
93.07050	36.0
95.04966	72.3
95.08607	29.7
97.02885	3.1
97.06518	7.8
97.10176	14.4
105.03374	2.4
105.07030	29.2
107.04958	22.2
107.08587	17.5
109.06534	7.8
109.10165	41.9
111.08076	5.9
112.21136	2.1
115.05436	3.7
117.07021	15.2
119.04960	2.6
119.08585	26.5
120.23721	2.4
121.06521	24.1
121.10152	11.7
123.08073	9.0
125.09614	14.2
128.06226	3.8
129.05554	2.2
129.07016	16.2
131.04903	3.1
131.08559	19.9
133.06497	6.6
133.10118	13.4
135.08038	10.1
135.11649	3.8
137.09650	12.3
141.07045	5.4
143.08543	10.2
145.06503	5.7
145.10139	13.3
147.08009	11.5
147.11710	7.0
149.09590	5.0
149.13316	2.5
155.08646	3.9
155.10667	4.5
157.06541	3.3
157.10129	15.4
159.08063	5.7
159.11642	11.2
161.09628	6.3
163.11148	10.7
167.08612	2.5
169.10045	2.7
171.08031	2.8
171.10289	3.3
171.11684	7.8
173.11755	8.5
173.13133	3.0
175.11205	11.8
177.12813	5.6
181.10127	4.3
183.11746	4.5
185.09598	2.3
185.13284	3.7
187.11201	4.1
189.09122	7.8
189.11255	7.3
189.12802	3.4
193.12230	15.9
195.11607	3.3
197.13155	3.9
199.11206	4.7
201.12840	2.2
203.10690	8.9
203.12747	6.5
205.12265	6.0
219.13741	3.5
223.13278	6.6
231.13895	5.4
233.15439	2.7
234.67522	2.1
249.14899	9.8
263.16486	2.6
263.48215	2.8
269.12479	3.0
269.51077	2.1
270.82181	2.1
283.20609	2.6
301.21683	10.1
311.19998	22.3
329.21109	100.0
330.21613	4.5
347.22061	16.2
367.22607	2.9
377.23199	3.2
385.23859	5.4
394.78815	2.1
403.24780	52.1
403.29788	4.0
404.25113	3.7
421.25906	76.3
421.31335	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	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
55.05514	15.2
57.03441	7.9
57.07077	37.5
59.05006	2.6
67.05510	30.7
69.07068	14.2
69.27575	23.8
77.00935	2.4
79.05495	18.9
81.03421	8.8
81.07062	37.0
83.04987	7.9
83.08634	12.1
85.06546	14.7
91.05490	13.2
93.07040	21.2
95.04980	15.7
95.08623	25.6
97.06533	6.6
97.10191	3.4
105.07029	15.9
107.08605	22.1
109.06548	20.6
109.10166	12.5
111.08122	4.7
117.07023	4.0
119.08599	11.9
121.06553	4.6
121.10186	12.3
123.08069	11.1
123.11713	3.3
125.06040	3.2
131.08531	9.9
133.10130	9.9
135.08093	22.7
135.11722	4.8
137.05983	22.7
143.08572	4.1
143.76517	2.5
145.10138	8.0
147.11662	5.9
149.09563	4.2
149.13309	5.1
151.07565	6.7
151.11111	3.4
157.10164	6.1
159.11731	5.8
161.09625	5.5
161.13255	4.0
163.11166	4.6
165.12741	10.5
171.11674	3.9
173.11928	2.5
175.11217	3.1
177.12753	9.9
179.14381	3.1
184.04411	2.9
185.01259	3.0
187.53503	2.6
191.14401	3.5
193.12256	5.2
206.05812	4.0
207.13828	10.9
263.19873	3.5
271.46994	2.6
287.85709	3.0
306.66287	2.8
319.26376	14.6
329.21106	14.6
329.24707	5.7
337.27286	4.0
338.96725	5.9
347.25833	100.0
365.26956	21.1
375.14890	4.3
393.15955	6.8
393.29868	13.7
403.24557	4.9
421.25186	9.1
421.30020	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01862	3.7
55.05512	9.1
57.03440	10.0
57.07078	35.9
65.03913	0.8
67.05176	1.3
67.05505	14.1
69.07065	12.4
69.63303	4.5
70.74136	0.7
71.04993	2.4
74.20298	0.7
74.66328	0.7
79.05496	12.1
81.03400	1.3
81.07061	24.4
83.04969	3.3
83.08610	3.0
85.06545	15.5
85.71458	0.7
86.42558	0.8
91.05492	7.3
93.07042	14.2
95.04987	3.1
95.08049	1.3
95.08613	14.9
97.06534	4.2
97.10173	1.4
99.08060	1.0
105.07030	7.8
107.08598	15.3
109.06528	15.0
109.10154	8.9
111.04442	2.7
111.08132	4.0
111.08811	0.8
115.59622	0.7
117.07007	2.0
118.97305	0.8
119.08587	9.1
121.06527	1.3
121.10140	7.1
123.08080	11.1
123.11723	3.3
125.06015	3.6
125.09666	1.7
131.08534	2.4
133.10132	5.6
135.08066	15.2
135.11691	4.7
137.05981	25.0
137.09637	1.6
137.13245	1.7
139.07538	3.2
143.08543	1.3
145.10107	3.4
147.08072	0.9
147.11673	4.8
149.09641	4.4
149.13274	3.4
151.07553	5.8
151.11195	3.3
152.26163	0.9
153.12682	1.0
157.10178	1.4
159.11661	2.4
161.09587	4.0
161.13252	2.4
163.11186	2.2
165.09164	1.2
165.12778	9.6
171.11758	1.3
173.13242	1.6
175.11166	2.7
177.12718	6.7
179.10641	1.1
179.14331	4.3
181.12216	1.0
184.36067	0.8
185.13237	0.9
189.12863	1.3
191.14354	2.9
193.12262	4.0
203.14345	1.1
207.13794	10.6
215.17963	1.0
233.18950	2.6
235.20474	1.1
257.85138	0.8
261.18491	1.6
263.20084	4.4
277.18082	1.8
291.19540	1.8
301.25439	1.0
305.24796	1.7
319.26352	12.1
329.21045	2.3
329.24826	3.1
337.27390	6.9
338.96814	1.1
347.25812	100.0
348.26242	1.1
350.15540	1.0
358.70343	0.9
365.26901	19.0
393.29996	11.1
403.28580	3.1
421.29526	52.8
422.29745	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00756	1.5
53.03942	3.6
55.01875	6.5
55.05510	14.5
57.03440	11.5
57.07082	11.3
67.05515	28.2
69.06721	2.2
69.07073	31.3
69.97760	6.7
71.04993	3.4
71.08624	2.4
79.05498	22.9
81.03404	2.2
81.07065	35.4
83.04992	5.5
83.08618	9.2
85.06555	8.6
91.05498	12.1
93.07057	29.7
95.04964	8.9
95.08607	29.6
97.06542	11.7
97.10161	2.2
98.21426	2.3
99.08081	3.0
105.07041	12.4
107.04964	3.4
107.08601	23.7
109.06530	19.7
109.10157	11.8
111.04447	6.1
111.08092	6.7
117.07054	2.7
119.08597	14.4
121.06519	3.3
121.10158	9.8
123.08097	12.4
123.11724	4.7
125.06023	7.3
131.08600	4.4
133.10104	8.7
135.08066	26.9
135.11705	18.4
137.05983	18.8
137.09613	2.9
137.13258	3.0
143.08536	3.3
145.10138	5.4
147.08080	3.1
147.11705	7.4
149.09657	5.8
149.13292	6.5
151.07578	6.9
151.11295	3.7
153.12772	3.5
157.10176	3.0
159.11681	3.5
161.09608	3.3
161.13239	2.9
163.11203	2.5
165.12775	6.7
167.14372	4.4
171.08031	2.0
171.11790	2.3
175.11154	2.8
177.12753	7.3
179.14323	4.3
181.12233	7.9
191.14328	2.3
193.12285	4.2
217.14278	1.9
221.19034	5.3
235.20642	4.3
259.70978	1.7
263.20187	3.1
301.25455	2.9
305.24765	79.4
306.25320	2.2
311.20105	2.2
319.26364	29.4
329.21332	3.7
329.24808	6.4
337.27179	3.1
347.25833	100.0
365.26929	13.1
393.30026	6.4
403.28992	3.6
421.25314	4.0
421.29715	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01870	4.0
55.05519	12.6
56.96563	2.4
57.03434	3.7
59.04989	1.5
67.05516	26.4
69.03429	2.4
69.07059	4.9
69.34407	4.8
69.34830	8.6
71.05005	2.5
79.05498	11.5
80.05006	3.2
81.03416	8.0
81.06728	1.3
81.07069	14.6
83.05000	3.6
83.08624	4.6
91.05489	13.2
93.07059	8.7
94.06574	17.2
95.04994	17.1
95.08624	10.9
95.09134	2.0
97.02872	1.6
97.06516	4.9
97.10176	3.8
98.20694	2.6
98.97579	4.3
105.07048	8.5
106.06572	6.5
107.04967	7.0
107.07333	9.1
107.08579	4.9
108.08129	29.1
109.06548	2.2
109.10155	10.9
111.08095	3.1
116.98676	1.8
117.07026	3.5
118.06533	2.7
119.04892	2.0
119.07317	1.8
119.08596	7.3
120.08141	9.3
121.06514	6.3
121.08952	2.0
121.10130	4.1
123.08082	1.9
125.09624	2.9
129.07007	4.1
131.08560	5.8
132.08096	3.8
132.60550	1.6
133.08870	3.6
133.10097	4.0
134.09625	5.7
135.04430	3.0
135.08040	2.9
135.11606	2.0
137.09621	3.5
143.08580	3.5
145.08841	1.6
145.10103	4.3
146.09656	6.5
147.04395	3.2
147.11685	2.7
149.09554	2.6
151.03766	1.5
155.08588	1.9
157.10075	3.5
159.11656	2.8
160.11223	2.9
163.03917	5.5
173.11780	2.4
175.11174	2.8
189.11156	2.0
193.12209	2.3
202.16016	2.2
203.10706	1.6
221.30554	1.7
222.14848	2.6
226.68857	1.5
230.15311	1.9
236.16475	66.2
236.18846	3.4
244.17032	4.0
248.16444	8.5
249.15080	1.8
250.18071	49.5
262.18018	10.5
276.19693	3.6
286.21573	1.4
301.21701	2.0
311.20114	3.0
314.24753	12.2
329.21158	17.8
332.02051	2.9
332.25735	4.2
336.64914	1.6
342.24304	19.4
347.22153	3.4
357.02893	2.2
360.01508	5.6
360.25385	37.8
366.26483	2.8
375.03891	10.9
378.26437	82.9
379.27136	1.9
386.26675	3.4
403.24832	10.2
404.28018	100.0
405.27853	1.8
421.05414	1.8
421.25745	10.6
421.30664	59.3
422.30969	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	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
55.05504	1.3
56.96565	0.9
57.03442	0.6
57.07081	16.3
59.17196	0.4
61.02897	0.4
67.05508	3.8
69.03419	0.7
69.07067	0.7
70.06594	0.5
71.04970	0.4
71.55252	0.5
79.05505	2.2
80.11256	0.3
81.03410	1.6
81.07074	1.8
83.04967	0.6
83.08630	1.1
85.02915	0.7
85.06538	0.4
85.38068	0.3
88.07633	0.4
91.05483	2.5
93.07043	1.6
95.04967	1.5
95.08617	1.2
97.02964	0.4
97.06522	0.6
97.10165	0.6
98.97578	0.4
102.09179	0.5
104.17599	0.3
104.99286	0.4
105.07044	1.0
107.04974	1.0
107.08600	0.9
109.06538	0.5
109.10159	2.3
117.07068	0.4
118.36736	0.3
119.08592	1.3
121.06519	1.0
121.10164	0.3
123.08069	0.4
125.07095	2.2
126.05511	2.4
131.08560	0.9
133.10120	1.1
135.08080	0.7
143.08582	0.6
147.11772	0.4
149.02321	2.1
149.09651	0.5
157.10184	0.4
161.09769	0.5
163.03836	0.7
163.11183	0.5
168.20407	0.4
169.09961	0.4
173.11729	0.4
175.11156	0.4
189.11295	0.5
191.11855	0.6
192.10231	0.4
193.04974	2.1
193.12228	0.6
202.96489	0.4
203.10774	0.5
208.14503	1.4
209.12877	7.4
210.11220	0.5
218.12886	3.0
219.11356	1.3
256.26453	0.9
260.15414	0.7
267.08963	0.6
275.17538	4.9
285.10175	0.7
292.20230	3.7
293.18579	4.8
302.18607	10.7
311.19943	0.4
329.21274	1.9
347.25925	0.6
358.24762	1.2
376.25949	100.0
377.26282	3.7
394.27051	2.0
403.24704	1.5
421.25815	3.3
421.31702	3.2
422.29013	2.0
434.60223	0.4
437.05768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
52.94692	0.6
53.03947	4.1
55.01875	1.0
55.19130	0.8
56.05037	1.0
56.96571	1.7
57.03427	2.2
65.03931	0.9
69.03438	10.6
70.06602	12.1
71.01353	0.7
71.05000	0.7
71.55626	0.7
72.08131	1.3
73.02921	1.8
78.03019	1.4
78.03464	20.9
79.05481	0.8
80.05029	3.1
81.03425	25.6
81.07092	0.9
82.57249	0.6
83.04982	0.8
84.08165	2.4
85.02909	9.5
86.06085	0.8
86.09711	2.8
93.77774	0.6
95.08601	0.9
96.02123	1.5
96.04506	4.8
96.38007	0.7
97.02901	5.7
98.06098	0.8
98.97591	2.6
99.04465	3.7
103.03951	0.7
103.38911	0.7
105.03397	1.7
106.02928	65.6
107.03311	0.6
109.02891	12.9
110.93261	0.7
110.97559	0.9
111.04455	2.1
115.05011	0.6
116.98773	1.0
117.80418	0.6
120.08076	0.7
121.02888	1.1
124.03968	100.0
125.04256	0.8
127.03944	9.2
129.06946	0.8
129.10233	0.9
130.06511	0.9
133.34830	0.7
137.02359	62.9
137.03316	2.2
138.02657	0.8
144.08098	1.8
145.04974	1.2
147.04382	1.2
155.03426	1.2
156.08138	2.3
161.05937	0.7
166.05029	1.0
174.09103	0.7
183.15012	1.3
183.28032	0.7
196.06161	1.4
199.08908	0.6
200.85634	0.7
202.05080	1.0
232.06090	0.8
241.09779	1.1
250.07126	30.3
250.38455	0.6
255.11348	1.1
261.10364	0.8
268.08194	48.3
269.08447	1.2
283.10870	1.1
287.10336	0.8
301.11908	2.2
386.08960	1.0
404.09760	17.8
405.09970	0.9
422.10587	10.2
422.23685	0.9
423.12579	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	422.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05106	0.3
53.48768	0.4
55.05516	0.6
56.05038	2.7
56.96563	0.9
57.03433	0.7
59.52517	0.4
67.05504	0.7
69.03428	0.5
69.07066	1.0
71.55270	0.4
74.06084	8.8
79.05505	0.7
81.03429	0.6
81.07059	1.2
84.04486	2.4
84.08172	0.6
85.02911	1.3
86.09709	100.0
87.10053	0.8
91.05467	0.6
93.07055	0.9
95.04993	0.6
95.08607	0.8
97.02888	0.8
97.06570	1.4
98.06051	1.1
98.97601	0.5
99.05621	0.6
102.05517	0.5
103.05463	0.6
105.01868	0.4
105.06992	0.4
107.04886	0.4
107.08623	0.7
111.04519	0.4
116.07121	0.9
120.08112	14.5
121.10153	0.5
122.92794	0.3
123.89935	0.4
126.05523	5.0
127.03934	1.0
130.05026	0.9
131.08534	0.3
139.12306	0.8
141.13879	0.4
142.12386	0.4
143.00171	0.4
145.10214	0.4
148.06084	1.2
159.11772	0.4
163.03969	1.2
166.08638	5.3
167.11835	0.5
180.10236	2.2
181.05003	0.3
193.77982	0.4
195.11313	3.5
205.46037	0.4
211.14474	0.7
215.07140	0.7
215.13965	1.3
239.13925	10.7
257.15045	0.4
259.09723	1.2
279.17062	8.1
285.03476	0.4
347.72760	0.4
360.19330	1.1
390.30630	0.4
406.64523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05521	0.5
56.05041	2.7
57.03441	0.7
67.05502	0.9
69.03435	1.0
69.07067	0.9
70.06622	0.9
70.66339	1.4
74.06086	8.7
79.05495	0.7
81.07060	1.1
84.04510	2.7
85.02917	1.3
85.83449	0.4
86.09712	100.0
87.10072	0.6
91.05482	1.2
93.07053	1.1
95.04997	0.6
95.08595	0.9
96.36005	0.5
97.06541	1.3
98.06040	1.1
99.05575	0.6
102.05550	0.7
107.04861	0.5
109.02887	0.7
109.10174	0.8
116.07089	1.1
119.08599	0.5
120.07247	1.0
120.08109	16.0
121.10165	1.1
126.05530	5.3
127.03975	0.5
130.05058	0.6
133.10182	0.7
139.12318	0.6
144.06630	0.5
148.06070	1.1
163.03917	0.9
166.08667	4.7
180.10223	1.8
181.03587	0.5
181.64723	0.4
195.11298	2.7
211.14436	1.0
215.07112	1.0
215.14020	0.8
221.34634	0.5
239.13928	9.3
259.09680	1.4
275.20212	0.6
279.17047	7.3
280.17468	0.5
360.19400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38746	1.3
50.80904	1.4
53.03959	1.3
54.75203	1.3
55.05503	3.5
56.05020	2.4
56.19891	1.2
56.96561	3.8
60.04508	1.4
67.05496	3.7
69.03415	4.4
69.07070	2.4
69.80067	8.4
70.06612	7.2
71.55500	1.2
73.02914	1.5
79.05492	4.6
81.03410	6.1
81.07051	3.6
83.08622	3.4
84.04504	8.7
84.08154	2.8
85.02931	7.4
85.04856	1.5
86.09724	18.1
91.05467	5.1
93.07047	3.1
95.04976	3.1
95.08567	2.0
97.02874	3.4
97.06511	2.0
98.20752	2.5
98.97600	2.5
99.46293	1.3
102.05565	2.7
105.07021	5.3
107.08569	2.9
109.02889	2.0
117.07051	2.2
119.08568	6.3
120.08136	11.9
121.02873	2.2
121.10118	1.8
127.03922	3.6
130.05023	3.6
130.06561	2.0
130.45016	1.2
131.00180	1.5
133.10138	4.8
137.05913	3.3
143.05441	3.2
145.10094	2.7
147.04395	1.7
147.11699	2.9
148.06071	3.5
149.01236	2.9
149.06320	1.8
151.03949	1.4
152.14307	1.9
158.99663	1.7
159.09262	2.0
161.06079	2.5
163.03960	1.7
167.07071	3.4
170.64876	1.4
171.06717	5.3
173.13026	1.9
175.03671	5.6
175.14865	10.4
180.07248	2.0
182.08153	1.9
185.04266	2.3
191.07048	1.5
196.17293	1.4
223.10603	2.8
227.05254	3.4
228.08679	1.8
240.13367	3.1
252.09393	25.8
252.59497	3.3
267.08923	1.9
271.04187	7.2
276.20212	2.0
279.17041	1.9
285.10114	3.6
337.09045	6.6
341.60281	1.8
379.10010	58.5
423.08936	100.0
423.25281	3.8
424.09268	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	423.1263
Annotation	Plicatic acid
Peak:m/z	Relative Intensity
55.05500	0.7
56.05030	0.6
56.15267	0.4
69.07053	1.3
69.38007	3.3
70.06598	4.8
72.08139	1.3
78.37031	0.5
81.07058	0.7
84.08160	3.1
85.02908	0.9
86.09705	2.2
91.05489	1.3
93.07056	0.5
98.97581	1.6
99.08078	0.7
109.02882	0.6
116.98598	0.5
120.08091	1.1
127.82768	0.5
129.10260	1.4
137.06032	0.5
147.04431	2.8
150.55461	0.5
155.01834	0.5
175.11748	0.5
183.14905	0.5
184.07358	0.5
196.09230	0.5
222.81064	0.5
261.07523	1.0
349.07755	1.1
401.31323	0.6
423.12646	100.0
424.13135	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	423.1267
Annotation	Fortuneanoside K
Peak:m/z	Relative Intensity
50.35450	0.4
53.03931	0.5
53.60333	0.4
55.01861	0.4
56.96555	0.8
58.24578	0.4
60.48639	0.4
69.03436	0.9
70.06603	4.2
70.09837	1.6
72.08163	0.8
79.59354	0.4
81.03423	0.9
84.04515	1.0
84.08149	1.6
85.02918	1.6
86.09732	2.5
88.03998	0.5
91.05470	0.5
97.02904	1.3
98.06042	0.5
98.21429	0.6
98.97593	1.1
99.04451	1.0
100.07603	0.4
103.03941	0.7
109.02872	1.2
109.41063	0.4
116.98637	0.5
118.03232	0.5
120.08109	1.4
124.03919	0.5
127.03922	1.4
129.10263	0.9
136.07573	1.7
142.11714	0.4
147.04395	1.9
147.07739	0.5
151.50294	0.4
185.04189	0.5
213.12337	0.5
215.05974	0.4
216.55980	0.4
219.01775	0.7
237.02753	0.5
261.07379	5.8
328.08438	0.7
349.07892	0.4
423.12653	100.0
424.12991	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1441
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
52.88095	0.5
53.03960	0.4
55.05517	3.6
56.96566	0.9
57.03436	1.1
65.54857	0.5
67.01854	0.8
67.05173	0.8
67.05510	12.6
68.99788	1.5
69.03425	0.6
69.07077	2.2
69.87119	1.1
69.87520	1.3
71.04984	0.5
79.05492	2.6
81.03429	0.5
81.07066	5.1
82.18667	0.4
83.08623	0.8
85.02920	0.6
85.06545	0.6
91.05494	2.3
93.07037	3.6
95.04948	0.8
95.08614	4.8
97.02885	0.4
97.06544	0.7
98.20853	0.6
104.25157	0.4
105.07053	0.9
107.08595	1.5
109.06548	0.4
109.10161	4.8
111.00793	0.6
111.08103	0.7
115.05424	0.5
119.08605	0.9
121.10139	0.6
123.04433	0.9
129.07024	0.5
131.04976	0.4
131.08569	1.1
131.66940	0.4
133.10106	0.5
137.02350	0.5
137.05951	0.6
139.03909	2.7
141.07028	0.9
147.04437	1.5
149.13229	1.2
153.01837	33.8
153.07033	0.7
155.08543	0.7
157.06505	0.5
159.04413	0.6
161.02409	0.8
161.05960	0.5
163.03893	1.0
165.05452	1.1
165.06863	0.5
169.06505	0.5
171.02939	0.7
173.05965	1.5
173.11774	1.2
175.03912	0.8
181.06517	0.5
183.08083	0.8
185.05997	1.1
187.03952	0.5
187.07651	0.9
197.05965	1.3
199.03856	0.5
207.02913	0.7
207.10204	2.1
209.05988	0.8
213.05585	0.7
229.05025	1.6
229.07333	0.6
231.02946	0.5
237.05435	4.3
241.05006	1.6
242.05786	0.6
243.13718	0.6
246.36887	0.4
251.07040	1.4
253.05013	2.7
253.67303	0.5
257.04456	2.8
258.05255	6.4
265.04999	8.4
266.05527	0.6
267.06616	0.8
269.04504	1.8
271.06140	0.7
279.06546	3.2
281.04575	3.1
282.05200	1.5
283.06052	1.0
286.04736	8.3
287.05502	4.3
293.04459	2.4
293.07666	0.6
295.06015	3.0
297.03986	8.5
297.07431	0.7
298.04767	4.3
299.05530	4.4
303.06546	1.8
307.06018	1.7
309.03922	1.3
310.04745	1.6
311.05511	19.7
313.03473	1.2
319.06195	0.5
321.04053	0.7
321.07617	0.9
323.05515	8.1
324.06409	0.6
325.07214	1.7
326.04129	0.7
327.04990	3.6
331.06036	1.6
335.05478	1.4
337.06979	0.6
339.04779	0.9
339.08850	0.8
348.06616	0.6
349.07224	2.5
353.06573	0.5
353.85989	0.5
395.15057	1.0
405.13382	0.9
423.14413	100.0
424.14932	2.9
439.76990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.4
56.96539	1.1
59.18715	0.5
67.01849	0.9
67.05514	6.9
69.07073	7.9
71.55452	0.9
79.05470	1.6
81.03382	0.9
81.07056	4.8
83.04973	0.9
83.08595	0.7
85.02885	0.7
91.05457	1.8
93.07059	3.1
95.04960	1.5
95.08574	0.6
97.06499	2.0
99.04382	0.6
105.06998	1.3
107.08561	1.8
109.10183	3.6
114.40921	0.6
119.08553	1.0
121.10129	0.8
135.11684	1.1
139.20441	0.6
145.10158	0.7
149.13190	0.8
153.01848	14.2
173.06047	1.0
173.11800	0.8
203.03412	2.0
213.05493	0.9
237.05530	3.9
243.06610	0.8
251.06981	0.8
253.12306	0.7
255.06660	1.1
257.04483	1.7
258.05362	1.4
261.09186	1.6
262.09830	1.7
265.05020	3.9
265.11584	0.6
269.04507	1.1
279.06558	1.7
282.05322	1.3
283.05957	1.4
286.04779	2.3
287.05618	1.8
293.04501	1.2
295.06049	1.4
297.04126	1.3
298.04813	2.3
307.06110	1.2
308.06961	1.4
310.04755	6.1
311.05521	100.0
312.05893	1.4
323.05518	12.6
324.06152	3.3
325.07098	16.2
335.05490	3.8
337.07138	1.8
339.05090	2.1
349.07043	1.2
353.06573	25.1
379.11707	4.9
396.43515	0.7
405.13510	1.5
423.14426	23.2
423.27118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04399	0.6
53.19197	0.6
67.05517	1.5
71.50945	0.8
78.93845	0.7
79.05500	2.0
81.07070	1.2
84.38163	0.5
88.92429	0.6
90.33780	0.6
91.05495	4.3
93.07056	6.6
97.06535	1.3
98.97617	0.7
101.00887	1.1
105.07052	1.7
107.08604	10.8
119.01958	0.8
127.00079	1.3
135.11691	3.2
136.92522	0.7
143.01952	0.8
161.02951	0.8
187.00871	0.9
227.05295	1.1
243.04895	4.2
245.06424	3.4
252.69606	0.6
271.04309	3.0
281.08218	0.8
287.03732	10.9
289.05341	13.9
337.16196	4.3
361.16168	0.9
379.17337	26.6
385.22235	0.7
423.16306	100.0
424.16608	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	423.1629
Annotation	Calealactone B
Peak:m/z	Relative Intensity
59.75156	0.5
67.05499	1.2
69.07048	0.6
71.55155	0.9
79.05491	1.8
81.07066	1.3
86.95113	0.5
88.01982	0.5
91.05479	3.9
93.07054	8.5
95.04949	1.1
97.06517	1.6
105.07053	1.9
107.08604	11.3
109.06522	0.9
119.01917	0.8
127.00085	1.3
135.11713	3.3
143.01862	0.7
146.02412	0.5
161.03006	0.7
161.83922	0.5
185.04143	0.7
187.00787	0.6
187.59296	0.6
227.05257	1.2
229.02034	0.7
243.04745	4.5
245.06372	4.6
271.04297	2.1
287.03732	10.7
289.05301	11.6
311.05569	0.6
319.15329	0.8
337.16080	3.1
361.15897	1.1
379.12369	1.2
379.17310	25.4
380.17831	1.0
423.16299	100.0
424.16766	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	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01869	4.0
55.05540	2.7
56.96583	3.4
58.99585	6.1
61.01148	7.5
62.11327	1.9
64.45683	1.8
67.05495	3.6
69.03423	4.0
69.07079	1.8
70.06612	8.9
70.21616	4.0
71.05043	2.3
72.04530	13.5
72.08160	9.7
73.02913	3.6
76.02229	6.1
78.03796	18.3
81.03413	4.0
81.07044	1.7
83.05004	3.2
83.06128	2.6
84.04512	2.4
84.08125	6.1
85.02920	16.7
86.06097	3.2
86.09707	6.0
86.99033	2.1
88.02229	5.6
88.03976	2.5
91.05470	2.4
93.07056	1.6
95.04977	3.2
97.02885	2.6
97.06551	3.2
98.02422	2.8
98.20857	1.9
98.97594	5.2
99.04449	6.8
99.05589	5.0
100.02214	7.1
102.03778	29.2
103.02171	4.3
103.03966	14.7
105.00123	1.9
107.04977	2.3
109.02881	6.3
113.06015	3.2
114.03768	3.4
114.05517	3.0
114.54179	1.7
115.07136	1.8
116.98603	1.9
120.04812	6.9
120.08106	8.8
123.04466	2.1
126.05523	21.5
127.03924	9.3
129.10252	3.5
131.06401	12.7
132.04810	15.0
136.07576	5.9
142.08652	5.6
146.02687	8.9
149.07457	52.9
150.05577	2.2
152.07138	4.2
154.08621	4.1
158.99678	3.9
159.05807	2.1
167.07120	2.7
175.05379	2.1
177.05539	2.7
177.10333	3.2
180.06549	13.0
184.09801	2.2
186.09134	3.4
198.07602	3.9
199.09471	2.6
205.09833	1.8
213.10165	2.9
214.08580	3.9
214.10455	2.6
216.08765	3.2
218.08130	2.9
218.10115	2.1
219.13618	1.8
229.85857	2.0
231.11571	6.5
236.11086	1.8
241.09929	3.5
242.08014	4.4
242.10144	7.3
243.08891	10.5
243.11258	3.7
244.11607	5.1
256.11859	2.8
257.09445	3.1
259.10797	5.4
259.13089	2.7
260.08908	4.1
260.11221	7.0
261.12708	3.4
263.07434	5.4
275.10522	3.3
275.28967	2.1
284.08908	3.1
286.12643	5.4
293.11673	100.0
294.12189	1.9
300.09070	3.0
301.11725	6.8
302.12445	12.1
318.14038	6.5
327.09915	2.0
333.11758	2.8
342.12479	5.5
355.09442	2.9
360.10818	3.2
363.10172	5.8
387.11505	3.4
405.11932	13.1
405.16992	29.9
423.13596	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
53.47359	2.7
55.01880	3.5
55.05514	19.8
56.96568	3.9
57.03436	7.8
57.07071	5.6
57.25621	2.5
61.02898	2.7
65.03934	4.0
67.05508	100.0
68.05836	2.5
69.03439	13.6
69.07071	18.5
69.66704	2.6
71.55721	2.8
71.56075	3.4
79.05499	33.7
81.03424	15.5
81.06587	3.6
81.07061	58.4
83.04987	5.3
83.08611	10.8
85.02897	7.0
85.06552	3.4
91.05486	32.5
93.07054	44.7
95.04967	5.6
95.08614	26.8
97.02885	6.0
97.06506	4.4
97.10155	3.3
97.64902	2.6
99.04479	3.5
105.07038	25.3
107.04925	2.5
107.08591	21.0
109.06482	8.7
109.10159	54.2
111.08071	5.8
117.06952	13.8
119.08573	19.1
121.06471	4.8
121.10141	20.2
123.08093	3.6
123.11704	5.5
129.07027	5.5
131.08572	17.3
133.10194	14.7
135.11707	11.5
143.08562	6.6
145.10130	10.5
147.08047	3.0
147.11703	7.4
149.09651	3.8
149.13228	13.0
155.08537	3.4
155.10651	3.3
157.10147	8.0
159.11691	11.8
161.13304	4.3
163.11232	3.7
163.14771	4.1
171.11766	6.5
173.11758	13.8
173.13202	6.2
177.12685	3.5
185.13289	3.2
187.11234	2.8
187.14801	4.5
195.11852	3.3
195.13776	5.1
197.13379	3.8
229.07440	5.3
249.14990	2.5
257.04269	2.7
259.20621	5.2
261.22073	4.7
267.38599	2.5
277.73984	3.2
287.05420	3.1
303.23160	5.0
369.24274	7.7
387.25333	2.9
405.26389	5.5
423.14276	10.2
423.27359	33.6
423.32285	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	423.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01861	3.0
55.05512	15.2
56.96564	5.4
57.03434	3.7
57.07075	3.8
59.04992	3.2
65.03951	4.2
67.05509	100.0
69.03428	10.3
69.07072	17.6
69.95245	12.0
71.04980	7.9
79.05492	31.2
81.03434	16.5
81.07063	66.4
83.04988	6.5
83.08624	14.3
84.95869	2.9
85.02908	6.7
85.06537	7.2
91.05491	32.7
92.39923	2.9
93.07051	45.7
93.24219	2.7
95.04974	9.8
95.08610	30.8
97.02910	5.4
97.06519	6.3
99.04447	4.6
105.07034	17.0
107.08596	25.3
107.33254	2.8
109.06514	3.0
109.10167	55.9
111.08090	5.5
117.07030	13.5
119.08585	17.8
121.06504	3.5
121.10155	17.0
123.08057	3.5
123.11691	3.9
129.06979	3.2
131.08580	12.1
133.10135	16.3
135.08046	5.3
135.11679	10.7
143.08592	5.5
145.10158	10.4
147.11694	9.5
149.09544	3.0
149.13269	12.8
155.10605	3.3
157.10132	7.2
159.08069	3.6
159.11703	10.5
161.13263	4.4
163.14746	2.7
167.10782	3.5
171.11751	3.2
173.11752	16.1
173.13194	5.8
179.14331	4.1
195.13841	5.8
229.07410	4.6
257.04449	3.0
259.20633	3.4
261.22235	3.3
285.09937	3.1
287.05582	3.2
303.23077	5.1
339.79999	2.8
369.24243	6.5
387.25375	4.3
405.26279	6.1
423.14236	10.2
423.27423	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	423.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.5
54.35350	2.8
55.01863	9.4
55.05308	3.5
55.05519	34.9
55.83876	3.3
57.03426	11.8
57.07067	5.6
65.03935	3.2
67.05515	100.0
69.03444	36.7
69.07066	32.2
70.05499	10.0
71.04980	9.2
73.02898	3.4
79.05505	69.9
79.97730	3.6
81.03044	3.8
81.03429	37.9
81.07070	95.1
83.04975	9.5
83.08646	18.0
85.02914	19.0
85.06536	6.4
91.04976	4.0
91.05494	57.9
93.07056	92.7
95.04992	21.3
95.08054	5.5
95.08620	81.1
97.02895	11.8
97.06529	11.1
97.10189	5.9
98.21468	3.7
98.40019	3.1
99.04444	10.4
103.05479	4.2
105.03778	3.8
105.04539	3.4
105.07037	64.2
107.04960	9.8
107.08611	51.4
109.02870	8.7
109.06528	9.7
109.10178	36.7
111.04419	6.5
111.08044	6.1
117.07021	30.1
119.08595	45.3
121.06505	9.0
121.10170	44.4
123.04458	6.9
123.08073	13.5
123.11726	11.6
127.03916	8.6
129.05487	8.3
129.06996	11.4
131.08578	39.5
133.06488	4.5
133.10138	27.3
135.08037	9.1
135.11711	26.5
137.09616	6.8
137.13240	4.4
141.07016	6.8
143.08546	12.4
145.06473	4.5
145.10127	27.6
147.08023	3.7
147.11697	24.3
149.09656	6.2
149.13321	19.0
151.07811	2.9
155.08572	5.3
155.23653	3.6
157.10152	14.5
159.08028	4.1
159.11708	21.9
161.09679	4.5
161.13248	18.0
163.14758	6.2
167.08475	5.0
169.10103	6.5
171.11676	16.6
173.09598	4.1
173.13298	19.3
175.14766	8.5
177.12752	6.8
179.14230	9.7
183.11678	5.5
185.09682	3.9
185.13316	7.5
187.11061	4.2
187.14828	9.6
189.12704	4.7
191.14296	4.4
197.11461	3.7
197.13254	5.1
199.14812	5.7
201.12712	4.6
213.16364	3.2
223.14970	3.7
241.19588	4.9
243.21138	8.0
249.14899	5.5
255.20988	3.6
259.20673	16.0
261.22253	24.0
273.22012	8.5
277.21689	4.4
289.21609	4.3
301.21689	3.5
303.23450	16.4
313.21484	4.5
319.22766	3.7
331.26074	4.8
341.24884	5.2
345.24231	6.9
351.22897	4.6
369.24240	25.3
370.87915	3.8
387.25485	21.6
405.26303	16.9
423.26508	19.6
423.32114	7.2
423.36588	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	423.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49698	2.4
53.03937	8.4
55.01868	10.0
55.05521	26.8
57.03455	5.3
57.07080	5.4
59.05016	6.3
65.03941	3.3
67.05176	5.4
67.05515	86.6
69.03431	25.6
69.07074	22.6
71.01337	3.8
71.04985	7.7
71.55872	3.9
73.02930	4.8
76.34736	2.3
79.05502	71.4
81.03429	23.0
81.07069	100.0
81.64259	2.5
83.04958	5.8
83.08638	14.4
84.02727	2.6
85.02893	4.2
85.06541	3.5
91.05486	53.1
91.75275	2.4
93.07060	82.8
95.05000	12.4
95.08619	61.2
97.02908	67.9
97.06515	8.4
97.10184	4.9
99.04482	27.2
99.74002	2.4
102.51676	2.4
103.69471	2.6
105.07054	34.8
107.08617	43.6
109.02896	9.0
109.06532	8.0
109.10168	36.1
111.08100	7.3
113.63830	3.0
117.07042	13.8
119.08591	31.9
121.06520	4.3
121.10153	44.0
123.08116	16.9
123.11709	10.8
127.03920	30.6
129.07022	4.5
131.04951	3.7
131.08591	25.1
133.10167	24.0
135.08080	3.8
135.11728	28.4
137.09633	3.0
137.13272	3.3
143.08588	5.2
145.04962	3.2
145.10168	21.4
147.04355	2.5
147.11719	17.8
149.09631	4.6
149.13301	16.2
151.07373	2.8
153.01781	4.2
157.10136	7.0
159.11711	14.9
161.09633	2.5
161.13289	12.5
163.14838	6.2
171.11700	5.6
173.11815	5.3
173.13261	11.7
175.14851	5.8
177.12750	3.5
179.14346	19.3
187.11212	3.6
187.14839	7.6
189.12819	2.8
197.13387	3.2
198.57603	2.9
199.14821	3.0
200.93149	2.5
225.95584	2.4
243.20930	6.1
243.42751	2.6
257.04517	10.9
258.05328	5.4
259.20557	5.2
261.22217	30.2
279.23154	3.0
286.04849	7.9
287.05515	10.2
313.21741	3.0
331.26236	6.2
339.23206	5.5
357.24136	5.4
405.26160	3.2
406.35721	2.5
423.14566	32.1
423.27023	15.5
423.32162	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95029	0.6
55.01866	1.0
55.05517	5.0
57.03425	1.7
57.07088	4.1
61.41156	0.6
65.03921	0.8
67.05508	9.1
69.07075	5.8
69.37029	5.4
71.04981	1.2
71.08620	3.3
72.48058	0.7
79.05502	5.4
81.07066	14.8
83.08604	3.5
85.06549	2.3
91.05482	5.8
93.07053	8.2
95.04991	1.4
95.08609	11.6
97.06524	1.5
99.08077	2.1
105.07030	4.4
107.08608	8.5
109.05780	1.2
109.06519	18.0
109.10160	6.7
111.08083	1.1
119.08607	6.0
121.10182	5.1
122.07276	2.0
123.08081	34.6
123.11671	1.5
131.08572	2.1
133.10138	3.1
135.08041	6.4
135.11687	2.5
136.08786	0.7
137.09630	2.1
137.13257	0.7
145.10152	3.1
147.11687	2.1
149.09689	1.6
149.13222	1.3
159.11703	1.5
161.13326	1.1
165.12785	1.4
167.14349	1.9
173.13255	0.7
175.14873	1.5
177.12773	2.1
177.16446	0.7
179.14325	87.6
179.29955	0.6
179.73975	0.6
180.14632	1.2
191.14244	1.0
193.15945	3.4
205.15808	3.7
215.18010	1.0
233.19087	1.1
275.20087	2.7
289.25342	1.0
293.21030	1.0
303.26865	2.3
331.26346	37.7
332.26605	1.2
337.64868	0.7
349.27417	8.9
367.24765	0.9
405.30191	1.3
422.19205	0.7
423.31104	100.0
424.31198	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99450	0.8
51.12863	0.8
55.05514	7.7
57.03431	2.8
57.07077	2.0
65.03929	1.3
67.05508	9.5
69.06786	1.0
69.07078	11.5
71.04990	2.1
71.08634	1.2
79.05492	5.4
81.07067	15.0
83.04984	1.5
83.08618	4.7
85.06561	1.5
91.05479	3.6
93.07051	8.1
95.04989	1.5
95.08609	12.5
97.06545	2.6
97.10184	1.0
99.08086	1.2
105.07031	7.9
107.08611	9.7
107.47750	1.0
108.27429	1.0
109.06523	11.4
109.10167	6.3
111.08125	2.4
117.07037	1.2
119.08610	8.4
121.06565	1.0
121.10134	7.1
122.07302	1.2
123.08080	53.7
123.11677	2.5
131.08597	1.4
133.10104	4.2
135.08078	10.7
135.11685	3.5
137.09608	3.4
145.10118	2.5
147.11734	2.1
149.09642	4.7
149.13286	2.7
159.11702	2.5
163.11255	1.7
165.12833	1.1
173.13193	1.2
177.12798	3.8
179.14316	22.1
191.14310	1.1
205.15833	1.5
210.98723	0.9
233.19052	1.2
253.40656	0.9
263.20184	2.1
266.19046	0.9
275.20123	4.2
289.25247	1.6
293.21133	3.4
303.26859	4.9
331.26364	34.9
332.26453	1.3
349.27417	10.3
367.24969	2.8
405.30069	3.1
423.31097	100.0
424.31271	1.5
436.51740	1.0
439.27182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
59.04992	2.1
61.02936	3.3
68.05016	2.0
69.03437	13.7
69.88004	7.3
70.06593	3.3
71.04989	4.7
73.02905	4.7
81.03435	13.2
83.05000	2.0
85.01131	1.7
85.02913	61.8
87.04402	1.8
97.02908	38.1
98.21403	2.2
99.04464	40.7
103.03953	57.0
108.62929	1.5
109.02884	22.3
118.03252	20.8
127.03931	100.0
145.04971	50.3
163.06049	11.0
169.05026	2.3
177.02234	2.7
187.06087	5.1
271.08157	4.9
298.20596	1.3
322.26715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83059	1.3
53.03952	6.8
53.09368	1.4
56.05024	1.8
56.96553	1.9
57.03422	2.3
59.05001	2.4
61.02927	4.1
65.93783	1.4
67.05477	1.2
68.05027	1.6
69.03433	18.9
69.07071	2.5
70.06258	1.3
70.06604	19.6
70.94155	3.9
71.04988	6.0
73.02924	3.9
75.02706	2.7
75.11703	1.4
76.00956	1.3
81.03430	18.3
83.05002	1.7
84.04511	3.9
84.08159	4.1
85.01115	2.2
85.02913	63.4
86.09716	13.1
87.04459	2.0
97.02902	44.4
98.97586	3.0
99.04469	41.6
100.02226	1.5
103.03955	61.2
109.02897	26.3
115.03954	2.3
118.03251	20.4
119.04987	1.6
120.08087	1.9
122.02407	3.7
127.03930	100.0
136.07584	4.6
137.05969	2.1
145.04968	46.3
163.06070	12.8
177.02144	2.8
182.08147	2.2
187.06049	6.0
197.08217	1.5
199.06253	2.0
271.08102	5.8
289.09201	1.6
371.19315	2.0
424.14624	1.7
424.20816	1.7
425.10669	3.0
449.53976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.05510	3.3
56.96564	4.4
57.03444	3.3
69.03438	14.0
70.06612	7.3
70.79287	6.5
71.05002	5.0
81.03443	16.6
81.07067	3.7
85.02913	74.6
95.04977	3.0
96.73287	3.3
97.02900	16.6
98.97614	5.4
99.04465	43.7
103.03956	92.8
109.02892	13.2
121.02890	3.1
127.03935	100.0
129.17953	2.6
133.06586	2.8
141.12726	5.9
145.04970	57.1
145.06009	4.9
147.04430	3.5
147.11609	2.8
163.06062	43.0
184.09708	3.4
187.06029	3.3
191.07057	3.1
196.17014	3.4
203.03435	4.0
210.42574	3.5
228.08844	3.7
229.09091	3.2
243.02946	3.7
261.04056	17.1
271.08145	5.6
278.54883	3.6
289.09290	5.7
307.10239	11.3
424.10904	8.6
424.25162	7.3
425.11737	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	424.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
64.04622	2.4
69.03413	7.7
70.78937	6.8
71.05001	4.9
71.42731	2.6
71.98986	2.3
75.52695	2.8
77.73299	3.0
81.03409	11.6
85.02427	5.0
85.02911	66.8
97.02893	18.1
99.04475	33.1
103.03949	81.3
109.02891	11.0
113.30299	2.7
120.15906	3.4
121.61812	2.6
124.98170	2.6
127.03931	100.0
145.03917	4.5
145.04990	58.9
146.12502	2.5
163.06024	41.2
187.05928	4.9
205.07088	6.3
271.08112	5.2
307.10266	7.2
372.20969	2.6
398.24045	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	424.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.05512	3.1
57.03434	4.4
61.02919	3.3
64.60943	2.6
69.03437	11.7
69.25617	26.4
71.04996	3.5
81.03429	14.8
81.07039	2.6
85.02905	71.4
94.14497	3.1
97.02901	26.5
99.04473	39.1
103.03945	94.1
103.69367	2.6
109.02888	15.4
110.08890	2.5
110.22504	2.7
127.03921	100.0
128.04312	2.8
133.66547	3.1
145.03900	4.8
145.04974	66.2
155.06798	2.4
161.93542	2.6
163.06033	36.7
169.11635	2.7
176.75063	2.8
180.26862	2.7
187.05998	4.2
205.07072	3.7
239.74837	3.1
253.06987	2.8
269.13788	5.2
271.08096	6.0
289.09305	5.3
307.10269	7.0
323.41098	2.4
432.67416	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	424.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19914	0.8
55.01862	1.5
55.05516	9.2
56.05044	1.4
56.96566	1.9
57.07080	1.1
61.02917	1.2
67.05521	8.6
69.07076	10.8
70.06603	2.2
71.04995	0.9
72.08142	2.0
79.05491	5.6
81.03426	1.6
81.07063	11.6
82.06582	2.5
83.08625	6.5
83.96730	0.9
84.04528	1.0
84.08139	1.9
85.02905	1.0
85.06530	1.1
86.06079	13.7
91.05490	3.1
93.07056	8.8
95.04996	1.5
95.08593	4.2
96.08143	9.2
97.06559	2.8
97.10172	1.7
98.06067	3.4
98.09722	2.7
98.21484	2.2
98.97601	1.2
99.04443	4.0
105.07049	2.6
107.08595	6.1
108.08142	2.9
108.26259	0.8
108.46064	0.8
109.06539	2.0
109.10196	3.1
110.09733	5.8
110.10420	1.3
111.08077	1.3
114.09227	1.0
116.10758	5.8
121.10190	3.8
122.09700	1.0
123.08135	1.5
124.07649	4.2
124.11238	2.9
129.07106	0.8
135.11633	1.1
136.11266	0.8
137.06001	1.4
138.09219	2.0
142.08641	12.3
147.04413	1.2
149.13237	4.3
150.09151	1.1
151.11255	2.5
152.10762	1.0
154.12317	2.6
157.10187	1.1
163.03984	1.6
166.08641	2.5
166.15941	18.6
169.12231	7.2
194.15417	2.4
210.18513	2.2
212.16479	70.0
213.16843	1.1
229.07712	0.7
229.10648	1.2
238.18034	41.6
239.18483	0.8
256.19110	100.0
257.17203	4.1
259.09683	1.0
267.09119	1.6
302.21231	0.9
328.24817	1.2
363.25491	2.7
406.29803	5.2
424.15039	1.2
424.30692	55.5
425.31439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	1.4
70.69286	0.6
70.69624	0.8
80.62309	0.3
97.23400	0.4
98.97592	10.8
99.97921	0.4
101.00906	0.4
116.98640	6.4
119.01894	0.9
134.99690	2.5
143.01926	1.4
153.00647	0.5
161.02956	1.7
173.02950	0.4
174.97670	0.7
177.00995	0.7
180.96828	0.4
185.02969	1.8
192.98911	0.8
197.02905	0.7
198.97942	1.4
203.03949	0.4
215.04073	0.5
216.98970	5.9
217.99190	0.4
219.02003	0.8
222.97920	1.5
235.00017	15.3
236.00064	1.5
240.98944	11.3
241.99031	1.3
245.05083	2.5
253.01112	1.9
259.00018	53.2
260.00024	7.6
260.99780	1.4
261.03082	1.9
262.03174	0.5
263.02951	0.8
263.05923	0.7
264.03064	0.9
264.98849	3.1
273.98898	1.9
274.97879	1.5
277.01050	32.0
278.01114	5.4
279.00723	0.9
282.01596	0.8
283.00018	98.5
284.00137	8.3
285.00101	1.2
291.99783	1.5
298.97873	1.4
301.01086	100.0
302.01163	8.2
303.01093	1.6
315.02554	0.8
316.98947	1.5
317.98859	0.6
318.98773	0.6
319.02060	3.8
322.98245	0.6
324.02679	2.4
359.00104	1.4
364.99280	1.1
383.00156	1.4
384.00195	1.1
391.97723	0.4
400.93634	0.6
401.01346	5.2
402.01456	2.6
403.00842	0.6
406.99985	6.8
408.00494	1.1
425.01196	46.7
426.01379	5.6
427.01117	0.5
443.02316	83.9
444.02460	9.9
445.02362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73779	0.7
69.15144	0.7
70.19141	3.1
74.05347	0.7
78.99699	0.7
82.99870	2.6
89.04590	0.7
97.02885	1.3
97.20951	0.7
98.97569	1.0
101.00890	20.9
113.00895	5.0
115.02522	0.8
118.32330	1.0
119.01937	17.9
127.02414	3.4
131.01918	6.9
134.95061	0.7
137.00909	1.4
137.02975	0.8
139.02417	2.7
143.01918	39.2
145.03490	8.6
149.02951	0.9
155.01921	14.9
157.03453	5.2
161.02972	37.6
167.01927	13.2
169.03470	2.8
171.04947	1.8
173.02980	18.7
175.04549	0.9
176.51253	0.9
176.56291	0.8
178.32455	0.7
179.01929	5.4
181.03299	0.8
185.02974	33.2
186.03036	1.1
187.04494	3.6
191.04013	3.7
197.02977	14.1
203.04034	14.5
208.04611	0.9
209.03075	1.8
215.03998	5.9
221.05075	2.1
227.04008	8.2
245.05101	100.0
246.05138	3.6
257.05115	5.5
263.06158	21.6
275.06171	11.0
277.57098	1.0
293.07156	2.5
295.80713	0.7
305.07208	7.8
335.08325	1.6
365.09433	5.1
425.11377	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	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34387	0.6
70.75765	1.5
74.84833	0.6
82.99802	3.1
86.54214	0.6
94.99871	0.8
97.02885	0.7
101.00894	19.6
105.65156	0.6
113.00877	5.3
119.01936	17.3
127.02412	3.0
129.00403	0.8
129.03961	1.0
131.01915	7.0
133.03494	0.8
139.02443	1.2
143.01910	38.3
145.03487	8.4
147.01445	0.9
153.04044	0.7
155.01909	13.8
157.03517	6.4
161.02974	36.7
162.03116	1.0
163.04471	0.7
167.01910	11.4
169.03496	3.5
171.05037	1.8
173.02986	15.5
174.03148	1.0
175.04587	1.8
179.01921	4.1
181.03580	0.9
185.02974	33.5
187.04489	3.9
191.03984	3.6
197.02966	14.3
199.04599	0.7
203.04012	14.9
209.02977	2.3
215.03992	5.6
221.05061	1.0
227.04016	7.7
233.05038	0.7
245.05098	100.0
246.05196	3.1
247.50551	0.7
257.05087	5.8
263.06158	22.4
264.06409	0.9
275.06134	11.3
293.07266	3.6
305.07172	8.2
335.08408	1.7
365.09381	4.7
425.11429	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	425.1597
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
55.05512	1.1
60.41603	0.7
67.01871	0.8
67.05501	3.2
68.99790	1.5
70.84229	1.3
73.11723	0.6
79.05479	1.3
81.07044	1.4
83.08659	0.7
85.02880	0.7
91.05467	1.8
93.07063	1.5
95.08605	1.9
104.69674	0.7
105.07037	1.2
107.08578	2.5
109.10156	1.7
111.00832	0.9
119.08643	0.9
121.10133	0.9
131.08565	1.0
131.41356	0.6
133.10114	0.9
139.03876	0.9
145.10118	0.8
153.01836	15.1
161.05913	0.8
173.06003	1.5
187.07683	1.0
197.06085	0.7
203.03488	2.8
213.05531	0.9
221.82027	0.6
228.14044	0.7
237.05450	3.4
242.05629	1.2
243.06573	1.9
243.13765	1.0
253.04924	1.5
255.06552	1.0
257.04544	1.0
258.05392	1.5
260.32184	0.7
265.05002	2.9
269.04449	1.1
271.13269	1.1
283.06009	1.6
286.04752	1.6
287.05554	2.3
297.04037	1.8
298.04779	3.8
299.05545	2.2
310.04822	0.9
311.05502	86.1
312.05914	2.7
323.05627	4.6
324.06488	1.9
329.14032	0.7
368.12952	0.8
381.13354	100.0
382.13641	3.8
383.12790	1.0
425.16049	21.1
425.27249	0.7
428.07953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1599
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
53.03938	0.4
55.05266	0.4
55.05518	7.1
57.07067	0.6
66.26824	0.3
67.01867	0.7
67.05520	2.0
68.99792	0.8
69.07076	1.2
70.04887	1.0
74.93166	0.9
79.05495	0.7
81.03423	0.5
81.07063	1.0
91.05473	0.6
93.07097	0.6
95.04967	0.5
95.08597	0.5
97.02891	0.4
97.06529	0.5
97.10172	0.4
98.98415	0.4
105.07021	0.6
107.08563	0.4
109.10171	1.1
111.04459	0.4
115.05463	0.8
117.07051	0.4
119.08601	0.5
120.95434	0.3
123.04473	0.7
129.07016	1.0
136.93106	0.5
139.03926	4.3
143.04970	0.9
145.06517	0.4
145.10210	0.4
147.04434	1.5
153.01845	35.9
154.02269	0.5
157.06541	1.0
157.10109	0.4
159.04463	0.5
161.02245	0.5
161.06017	1.6
163.03941	0.6
169.06529	0.6
170.94751	0.3
171.03001	0.5
172.86430	0.3
172.95367	0.6
173.05977	1.2
175.03899	0.5
175.07509	0.8
179.03387	0.5
181.06435	0.6
183.08086	0.3
185.05965	0.6
187.03960	0.5
187.07608	0.5
189.05522	0.6
190.87427	0.9
194.97377	0.9
197.05937	0.7
203.03462	0.5
208.88512	0.7
211.07574	0.6
212.98352	1.0
213.05612	0.4
215.03477	0.5
225.05467	0.7
226.89511	0.6
229.05070	1.7
229.07050	0.4
230.95079	0.7
237.05536	1.8
239.07057	0.4
248.96175	0.7
249.05542	0.5
253.05029	2.5
257.04504	0.8
258.05261	8.3
265.05002	3.7
266.92654	0.8
267.06598	0.6
269.04495	1.1
271.06027	0.7
279.06479	0.5
281.04477	4.3
282.05225	1.5
283.06308	0.5
285.03937	0.8
286.04739	13.9
287.05478	1.8
288.99161	0.9
293.04547	1.9
293.07666	0.3
295.06027	3.6
297.04102	3.7
298.04782	1.6
299.05487	3.7
305.08032	0.4
307.06110	0.8
309.04010	2.1
310.04730	1.0
311.05536	19.3
312.05872	1.0
313.03394	2.3
319.06100	0.7
323.05545	11.7
324.05948	0.5
325.06958	0.7
327.05069	3.0
336.42593	0.3
337.07135	1.1
339.08884	0.5
397.16553	5.6
407.14938	0.9
425.16000	100.0
426.16394	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	425.3415
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
55.05518	3.6
57.07075	0.9
65.92828	0.6
67.05231	0.7
67.05509	7.9
69.07072	8.4
70.13033	3.0
79.05492	2.8
81.07059	15.1
83.08621	2.6
88.73345	0.8
89.69697	0.7
91.05482	1.7
93.07037	1.7
95.08603	10.7
97.10184	2.0
105.07011	2.1
107.08598	3.4
109.10168	10.0
111.11703	0.9
119.08572	3.8
121.10149	1.9
122.07266	2.0
123.11682	2.8
131.08585	1.0
135.08063	1.0
135.11705	2.1
137.09619	9.7
137.13239	2.2
143.08644	1.0
145.10143	0.7
149.09624	3.4
149.13271	1.4
151.07590	1.7
153.74536	0.8
159.11748	1.1
161.09596	0.8
163.11166	0.8
163.14780	0.8
165.09120	100.0
175.07559	1.0
175.11142	1.3
177.09154	1.4
179.10551	0.8
187.11212	1.2
189.09102	2.5
191.10674	2.6
197.05510	0.9
201.12752	1.2
203.10707	3.2
205.12259	6.4
217.12244	2.2
231.13678	1.6
245.15326	1.5
360.93729	0.8
425.21887	3.6
425.28778	1.2
425.34134	10.9
444.96439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93493	0.6
56.96558	1.8
64.05483	0.6
66.42921	0.5
67.05511	1.0
69.07052	0.8
69.37162	4.9
70.06580	1.8
72.70579	0.6
79.05486	1.1
81.07047	1.5
84.04494	2.8
85.02940	0.6
87.07147	0.6
89.49672	0.6
91.05476	0.7
93.07027	1.5
95.08622	0.9
97.06519	0.9
98.20788	1.5
100.11274	0.7
102.05544	1.2
107.08606	0.8
130.04996	1.6
148.06035	1.9
163.04022	0.7
165.09161	0.8
192.98112	2.0
210.99168	1.8
225.00845	0.7
248.34308	0.7
251.01988	0.7
275.02170	0.9
315.01743	0.9
325.00110	6.5
325.03333	0.7
332.60471	0.7
343.01282	17.8
344.01581	0.8
361.02332	100.0
362.02612	2.6
366.02875	2.4
379.03406	21.1
379.99695	0.9
384.03888	6.1
385.02924	0.7
403.03320	1.0
437.41626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
54.58681	2.4
56.96558	3.3
58.16883	2.5
68.24993	2.8
69.03423	8.1
69.07026	4.0
69.27312	15.1
69.27731	8.9
71.04980	4.7
77.43743	3.1
81.03432	13.9
85.02909	68.1
97.02908	15.3
97.06519	3.5
99.04456	37.0
103.03950	79.5
109.02889	17.1
127.03928	100.0
131.42906	2.8
145.04964	58.3
149.22707	2.7
163.03935	4.2
163.06020	41.4
205.07098	6.4
271.08096	7.9
289.09378	6.3
307.10327	5.5
369.95395	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	426.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
57.03439	4.0
57.06821	1.6
57.07084	21.1
62.06094	24.8
67.05499	5.3
69.07073	5.5
69.93198	2.3
69.93609	4.2
71.08645	12.0
80.92953	1.0
81.07079	6.9
82.87392	1.4
83.08618	2.6
85.10187	8.4
93.07060	1.8
95.08611	10.9
97.10166	1.2
98.21434	1.4
98.98496	5.6
107.08575	1.4
109.10183	3.5
109.35969	1.3
111.11758	1.2
121.10195	1.3
134.59442	1.0
155.01062	7.2
168.08357	1.4
196.16914	1.5
198.05290	1.4
211.20680	2.1
214.18001	11.6
216.06357	1.6
218.98792	1.1
228.23303	1.4
254.24818	10.9
285.24265	100.0
286.24551	2.3
328.24020	1.2
365.20758	5.6
408.25449	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	427.1216
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
56.96555	0.5
69.89819	1.8
70.06616	1.0
89.08025	0.5
98.97579	0.5
117.92697	0.4
121.02895	0.9
150.07704	0.7
219.01775	0.6
281.71661	0.6
425.84402	0.5
427.12137	100.0
428.12717	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83136	0.4
56.64046	0.4
56.96563	0.9
63.90541	0.4
70.06580	1.6
71.27507	1.1
85.02907	0.8
91.00193	0.4
97.02883	0.5
98.97606	0.7
119.55238	0.4
126.53297	0.5
150.07750	1.5
151.84329	0.5
235.05934	0.6
265.06702	0.5
278.99506	0.5
397.09811	0.7
427.12155	100.0
428.12601	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00928	0.4
50.08517	0.4
53.99766	0.4
56.96561	1.5
59.13688	0.4
69.03420	0.8
70.06598	3.1
70.12669	1.5
72.08164	0.5
81.03418	0.5
84.04530	0.4
84.08144	0.9
85.02893	1.4
94.04050	1.5
97.02930	0.8
97.06514	0.3
98.97599	2.6
99.04446	0.5
109.02832	0.6
111.04440	0.4
116.98601	0.8
121.02930	0.7
123.06637	0.9
127.03947	1.1
128.04251	0.5
129.10275	0.9
133.05142	0.4
145.05000	0.6
147.04402	0.8
147.08574	0.4
150.07765	100.0
158.99696	0.6
163.03972	0.6
177.00751	0.8
179.07034	0.4
198.44048	0.4
223.52859	0.4
247.06639	0.4
247.17114	0.4
265.07468	2.9
265.12277	0.7
282.12210	0.6
283.08521	3.2
295.11530	19.2
301.10052	0.5
307.05167	0.6
307.08432	2.9
325.09680	0.8
345.84265	0.5
427.10373	2.3
427.14322	1.5
427.19522	13.3
451.13443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01869	6.8
55.05512	21.4
56.96563	7.4
57.03424	5.5
59.04966	3.2
61.02939	3.5
65.03959	4.7
67.05505	44.3
68.99780	3.7
69.03434	37.8
69.07070	15.2
69.88051	17.1
70.06601	4.3
71.01371	4.0
71.04984	13.3
73.02896	3.2
77.15380	3.1
79.05501	38.0
81.03420	100.0
81.07059	50.0
83.04980	28.0
83.08626	13.1
84.04485	6.1
85.02897	19.1
85.06525	5.7
86.06079	18.1
87.00854	3.7
91.05482	33.2
93.07040	36.9
95.04971	17.0
95.08608	37.9
97.02886	14.4
97.06530	31.0
97.10186	4.1
98.97596	3.7
99.04452	5.5
105.07036	27.7
107.04951	9.1
107.08579	21.5
109.02884	12.0
109.06519	16.4
109.10155	24.7
109.29863	3.1
111.04359	4.3
111.08109	5.1
117.07040	10.3
119.08573	20.1
121.06498	16.8
121.10133	8.5
123.04417	5.5
123.08036	7.1
123.11686	5.5
125.09628	5.5
127.03926	26.1
129.07022	6.1
130.18405	3.2
131.08588	11.4
133.06493	7.5
133.10129	11.6
135.08087	11.0
135.11703	6.7
142.39987	3.1
143.08574	5.0
145.10147	8.7
147.04431	7.5
147.08104	5.1
147.11639	7.9
149.05902	6.5
149.09584	5.1
149.13269	4.8
151.07544	88.1
155.08517	5.4
155.10646	4.7
157.10144	8.2
159.07970	4.5
159.11722	9.3
161.09660	3.4
161.13284	9.4
163.03877	3.9
163.14822	5.0
171.11732	5.5
173.11729	15.2
173.13150	6.3
177.12761	4.5
179.14304	5.4
183.11688	4.0
187.11107	4.2
207.13831	5.9
209.15480	7.4
213.03882	3.9
219.13792	7.4
225.14873	10.6
237.14819	16.0
249.14871	3.6
251.16487	7.5
259.09601	3.3
265.12265	8.3
277.12222	8.7
277.18155	4.0
285.97211	3.1
287.16385	14.7
296.10373	3.3
303.16040	5.8
305.17490	35.5
323.18488	10.3
357.18839	3.3
365.19571	28.3
391.17783	8.4
409.18591	53.4
427.14032	4.7
427.19333	12.0
427.25806	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	427.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
57.07083	0.5
58.38675	0.5
67.35572	0.3
69.07075	7.5
70.78718	0.4
70.79057	0.8
73.06560	2.1
80.41833	0.3
82.13297	0.3
83.05000	0.4
84.08135	0.4
85.22011	0.3
86.09711	100.0
87.10059	0.8
112.07578	1.0
127.64243	0.3
168.13863	1.0
186.14900	72.4
187.15233	1.0
214.14398	26.6
215.14699	0.7
297.36301	0.4
314.19620	9.7
315.20120	0.5
399.28625	5.3
427.27570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05517	8.7
57.06824	0.7
57.07082	7.7
66.79039	0.6
67.05220	0.6
67.05511	6.3
69.07078	30.3
69.07458	1.6
71.08636	3.3
71.12075	0.6
71.12425	1.3
72.72748	0.5
79.05493	3.2
81.07070	12.4
83.08630	9.4
85.10184	1.5
91.05479	3.4
93.07054	4.7
95.08620	9.5
97.06515	0.6
97.10177	5.7
105.07031	2.6
107.08620	4.8
108.11676	0.5
109.06499	1.5
109.10175	6.5
111.11736	3.6
119.08603	3.8
121.06519	1.4
121.10165	4.2
122.07291	1.3
123.08080	1.0
123.11700	2.9
125.13282	1.1
131.08583	1.2
133.10152	1.5
135.08093	3.0
135.11702	3.7
136.08897	0.7
137.06013	2.8
137.09630	7.9
137.13231	1.3
139.07533	1.1
145.10130	1.7
147.08089	0.9
147.11783	1.0
149.09645	9.5
149.13264	2.0
151.07521	1.8
151.14803	1.1
157.10110	1.0
158.40080	0.7
159.11658	1.6
160.08783	0.7
161.09630	2.2
163.07590	1.5
163.11201	5.8
163.14836	1.1
164.08443	1.3
165.09137	100.0
166.09444	0.7
171.11682	1.0
173.09625	1.8
173.13258	1.2
175.07547	1.1
175.11221	3.2
176.08391	1.0
177.09163	6.6
177.12752	1.4
177.16470	1.2
179.10666	2.3
187.11282	1.4
189.09160	3.8
189.12788	1.4
190.09906	1.4
191.10699	7.8
199.11166	1.2
201.12759	1.8
203.10742	5.7
203.14406	1.8
205.12253	8.5
217.12260	1.5
219.13841	2.2
231.13861	1.4
233.15288	1.2
245.15431	1.0
247.17056	0.7
275.20010	1.5
275.27383	1.7
289.21738	0.7
303.26947	0.7
345.27872	1.4
359.86505	0.7
371.29401	0.9
399.36642	0.8
409.34924	1.5
412.33490	0.8
427.35779	34.3
428.36465	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	427.3574
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05265	2.6
55.05517	44.1
55.78407	1.9
57.07092	12.5
58.26217	2.2
59.64742	2.0
67.05504	4.8
67.74662	2.2
69.07075	41.0
70.80815	4.2
71.08629	10.5
79.05489	5.8
81.07060	17.9
83.08626	100.0
91.05472	3.9
93.07047	6.1
95.08595	8.9
97.10179	9.3
102.93497	2.1
105.07043	6.1
107.08613	5.8
109.10185	4.2
119.08584	2.9
121.10134	3.6
123.11671	2.2
133.10202	3.2
135.11723	2.6
139.14812	2.4
141.81523	2.2
145.10201	4.9
147.11697	2.6
149.09598	2.7
161.13211	3.0
171.11740	3.2
175.11145	4.6
253.19400	3.9
271.20502	13.1
330.27313	2.2
409.34610	4.4
427.01126	2.3
427.35764	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00137	1.1
52.45137	1.0
55.01879	2.0
57.03426	4.3
61.02922	8.5
63.09276	1.1
67.05513	1.2
69.03431	15.2
69.07072	25.8
70.06591	4.3
71.04999	2.5
71.11598	2.7
71.11923	1.5
73.02911	3.8
81.03421	6.5
85.02909	100.0
87.04451	2.5
91.03945	4.0
92.57545	1.1
97.02901	24.5
98.97601	1.6
99.04453	4.3
103.03945	2.0
105.61103	1.3
109.02885	9.2
111.04387	1.3
111.08057	1.5
115.03941	1.4
127.03931	27.0
136.90862	1.1
145.04971	67.0
146.62755	1.2
153.05499	1.2
163.06023	33.0
213.11238	2.0
231.12392	1.6
272.05173	1.2
298.11893	1.3
309.95361	1.2
325.11176	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	429.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.9
55.05482	0.8
56.96546	1.2
57.03400	2.0
57.48992	0.6
58.52422	0.7
60.69227	0.7
67.05478	1.9
69.03413	1.2
69.07049	1.3
70.25391	3.1
79.05462	2.6
79.10368	0.8
81.03377	3.4
81.07022	2.3
82.54246	0.6
83.04964	1.7
83.08624	1.7
85.02882	2.0
87.51754	0.7
91.03951	0.9
91.05436	2.4
93.07005	2.4
95.04950	2.1
95.08556	1.3
97.02853	1.6
97.06493	2.1
105.07001	1.7
107.08557	1.6
111.04405	1.5
115.03967	0.7
119.08568	1.6
121.10068	1.7
131.08540	1.2
135.04408	0.8
149.02325	1.8
149.09683	0.8
153.01804	3.6
159.73401	0.8
163.03879	2.9
173.05939	1.0
187.03865	1.5
193.04962	2.1
211.13248	1.1
213.05458	1.6
229.04927	3.4
257.04462	3.7
258.05255	58.5
259.05576	1.2
267.09024	1.2
286.04724	100.0
287.05502	32.2
311.12891	1.0
337.14691	0.9
359.02670	1.1
411.07208	0.8
411.12134	4.0
429.11850	86.9
429.18890	9.7
430.12308	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	429.1527
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
55.01861	0.9
55.05506	0.8
56.15382	0.7
56.19159	0.7
56.96550	1.8
57.03419	1.1
58.80132	0.6
58.90504	0.7
58.90793	0.7
61.02948	0.7
66.81881	0.6
67.05503	1.4
69.03410	2.2
69.07014	0.8
70.06592	1.0
70.87702	0.6
71.55372	0.9
79.05480	1.3
81.03443	4.1
81.07041	2.0
83.04958	0.9
83.08614	0.9
84.08123	0.9
85.02933	3.3
86.09685	1.7
87.28195	0.7
91.05460	1.9
92.98963	0.7
93.07014	1.2
95.04980	1.8
95.08595	1.2
96.62688	0.6
97.02876	1.7
97.06570	1.8
98.97636	0.7
99.04443	1.1
102.85622	0.8
105.01849	0.7
105.06994	1.3
105.45774	0.7
116.38998	0.7
121.02888	1.2
121.06452	1.1
121.10103	1.1
123.04439	0.9
127.03875	2.5
145.04958	0.9
145.06383	0.7
147.04396	1.3
151.03905	1.0
157.10004	0.8
163.03947	1.6
163.11223	1.7
173.05988	1.5
181.12096	1.2
187.03886	1.8
193.12225	2.1
201.05365	1.0
205.06464	0.7
211.13321	1.9
213.05492	1.5
215.06819	0.7
217.04752	3.9
223.07503	2.6
231.02805	1.7
232.07089	48.2
233.07753	1.4
235.13257	1.0
244.60712	0.7
249.05371	1.3
250.06192	0.8
251.06940	2.8
265.08493	1.2
267.10138	0.9
269.07709	0.6
269.94617	0.7
277.04907	1.5
281.47293	0.7
283.09595	1.0
289.05304	5.2
309.07755	3.2
327.08685	1.4
334.88870	0.7
337.14294	0.8
343.17148	1.2
355.07605	0.8
380.87930	0.7
385.18207	4.2
398.13260	1.1
429.15231	100.0
430.15787	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	429.1739
Annotation	Rosavin
Peak:m/z	Relative Intensity
50.03104	0.3
69.03455	0.5
69.64993	1.6
69.78773	0.4
71.14532	0.3
81.03415	0.8
81.07079	0.4
85.02899	1.1
87.00832	0.6
97.02934	0.5
98.08218	0.4
98.21532	0.4
105.01890	0.5
105.06356	0.4
109.02919	0.4
119.01996	0.4
127.03935	0.8
143.02000	0.5
150.18822	0.4
161.03006	0.6
175.09067	0.4
185.04240	0.6
187.07532	0.4
209.79326	0.3
267.10281	1.1
283.08270	0.4
285.13010	1.7
303.12872	0.5
327.13153	0.7
345.13553	0.4
353.10345	0.4
367.17352	7.2
369.15320	2.8
385.18311	0.5
411.16293	0.6
429.17395	100.0
430.17636	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.5
53.04161	1.0
54.68132	1.0
55.01870	4.1
55.05508	2.6
56.05029	1.1
57.03432	4.9
57.84582	0.9
61.02916	2.7
67.05502	2.9
68.37363	1.1
69.03439	24.4
69.07073	1.3
70.06596	7.3
70.31528	1.0
70.72268	2.4
70.72631	2.0
71.04990	2.9
72.08160	2.0
73.02932	5.5
79.05483	4.3
81.02976	1.8
81.03426	23.1
81.03907	1.2
81.07058	5.8
83.04971	2.3
84.04513	1.7
84.08144	2.7
85.02914	45.0
86.09718	8.9
87.00368	1.6
87.00839	16.5
91.05460	6.1
93.07065	9.0
95.04979	16.0
95.08604	1.8
95.98344	0.9
96.04514	1.0
97.02911	15.3
97.06567	1.5
98.97552	1.5
99.04469	11.1
101.02366	1.0
102.05488	1.1
103.03971	1.9
105.01881	12.1
105.07038	10.1
107.04948	2.0
107.08607	12.5
109.02898	24.8
109.06503	2.7
117.01873	1.7
117.07023	3.0
119.08594	7.5
121.06528	4.3
121.10150	13.0
125.06022	1.2
127.03931	36.7
129.01854	3.1
129.10208	1.6
130.07761	3.1
133.10129	1.3
135.07974	1.2
135.11681	4.3
136.93993	0.9
145.04988	11.9
145.10129	13.2
147.02921	2.4
147.08035	3.2
147.11775	1.3
149.05977	1.4
159.02895	13.7
163.11198	100.0
164.11517	1.3
167.07065	3.7
171.02911	1.4
175.11107	2.0
181.12279	6.6
183.10127	1.1
189.03923	4.1
189.12697	1.5
193.12267	1.8
203.10460	1.0
205.12209	5.7
223.13298	6.9
227.50742	1.0
231.04997	7.8
250.14545	1.5
393.15396	1.9
429.15988	1.8
429.16895	1.2
429.21295	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	429.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.05516	4.6
57.03447	7.9
57.45933	2.5
67.05527	4.0
69.03440	7.9
70.06617	6.3
71.04981	3.5
71.55132	4.8
71.67044	2.6
81.03426	17.7
81.07077	8.1
83.04996	5.1
83.08620	2.9
84.08192	4.7
85.02930	15.9
86.09741	9.7
95.05002	6.5
97.02932	13.4
98.97604	3.9
102.72164	3.5
105.07015	4.9
107.08582	2.8
109.02904	5.4
111.04494	4.7
112.96658	2.7
116.76012	3.3
121.10220	7.2
122.19868	2.8
127.03988	8.3
138.51587	2.7
147.11703	3.4
157.10158	3.4
163.11263	8.6
165.07115	4.3
167.03409	33.0
171.08148	8.2
175.11322	4.3
181.12297	4.1
182.07373	3.7
183.08070	33.1
187.07664	4.7
193.10577	3.2
193.12341	10.9
195.08130	8.0
196.08842	4.3
197.06053	6.2
197.09566	17.6
205.10272	3.7
206.07486	3.9
206.10983	3.7
208.08865	5.9
209.09583	15.2
210.10579	9.1
211.07571	75.5
211.11462	5.2
211.13469	20.9
212.08324	46.2
219.08200	8.1
221.09727	11.8
221.13393	9.5
223.07777	6.7
223.11192	25.0
224.12030	4.0
225.09146	21.5
225.12767	3.4
231.11838	4.1
232.07181	7.4
233.09651	5.2
234.10388	45.6
239.14407	33.0
249.09361	2.7
249.09982	3.6
249.12781	58.5
265.08813	3.5
267.07318	3.1
267.10474	8.7
267.14008	45.6
286.07843	3.0
309.07529	14.3
310.04913	5.7
323.05524	6.8
325.07300	29.8
325.10934	13.1
338.08087	4.7
353.10196	25.9
385.18567	4.8
397.12796	46.3
406.62772	3.0
411.21078	3.6
429.15820	100.0
429.21350	35.4
430.16141	3.6
451.06882	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27822	3.1
52.51842	3.1
53.03933	9.4
55.01859	10.7
55.05515	17.3
57.03448	20.0
58.51875	2.7
61.02933	19.9
67.05515	25.8
69.03441	30.5
69.07046	6.9
69.46304	16.5
69.46713	6.7
71.01365	4.7
71.04990	5.4
72.75866	2.6
73.02904	13.8
79.05492	23.9
81.03424	100.0
81.07059	25.7
83.04978	13.9
83.08622	16.5
85.02905	47.3
86.03252	7.0
87.00829	7.5
89.06025	12.3
91.03943	11.7
91.05489	25.3
93.07053	19.8
95.04975	56.8
95.08607	6.6
97.02903	44.3
97.06553	3.2
97.10173	4.7
99.04427	8.1
101.02339	3.3
101.09643	6.4
102.10004	3.4
103.03941	11.4
105.01852	6.3
105.07009	16.0
107.04980	14.5
107.07067	11.3
107.08599	10.1
108.07375	3.5
109.02877	22.3
109.06519	7.7
111.04427	8.7
111.08073	6.3
117.06998	7.6
119.08591	14.8
121.06504	10.6
121.10117	7.2
123.04435	30.9
123.08050	5.3
127.03919	25.4
128.04233	3.8
129.05438	3.1
129.06987	12.1
131.08568	12.4
133.10129	7.5
135.08096	5.5
135.11737	4.7
141.07019	2.8
143.08527	4.0
145.04929	6.1
145.06438	3.2
145.10092	7.1
146.05325	3.4
147.04414	5.0
147.08086	5.7
147.11682	15.5
149.05923	3.1
149.09596	3.9
151.03964	3.1
153.09134	3.7
157.10091	13.2
161.06017	6.4
161.09479	4.0
163.11179	12.3
163.13283	25.8
164.13655	27.1
165.12701	4.5
171.11656	3.5
173.09550	4.3
175.11203	11.7
185.74512	2.9
189.12653	5.9
193.12274	35.6
205.12302	2.9
207.13779	5.7
211.13281	38.7
217.12299	3.5
231.13802	4.0
234.68140	2.8
235.13339	36.2
249.14931	7.4
252.09264	3.6
252.59586	3.9
259.13254	9.4
267.15927	24.9
273.14908	20.1
277.14380	4.4
285.16898	8.9
291.15723	3.9
301.14236	17.5
309.16989	22.8
319.15308	4.5
351.18109	4.0
375.17892	11.9
385.18472	3.0
393.19083	8.9
411.20224	7.2
429.16327	12.6
429.21719	27.0
430.10260	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37876	1.5
51.03825	1.5
53.03952	10.3
55.01874	5.1
55.05514	13.9
57.03445	18.4
65.62366	1.5
67.05510	17.9
69.03080	1.9
69.03438	35.3
69.07060	4.4
70.11762	6.6
71.05005	8.6
73.02911	2.3
79.05502	21.6
81.03427	98.5
81.07064	28.3
83.04985	20.8
83.08627	18.7
85.02910	27.4
85.06573	1.5
86.09695	2.8
87.04479	2.6
87.67705	1.3
91.05477	28.3
93.07060	14.0
95.04977	25.3
95.08609	4.8
97.02908	57.9
97.06557	3.1
97.10168	4.9
99.04469	8.8
101.02393	2.6
103.03946	5.0
104.49202	1.4
105.07043	18.8
107.04327	1.8
107.04945	11.7
107.08629	9.5
109.02893	14.6
109.06502	6.0
109.10135	3.5
111.04483	10.0
111.08073	11.4
113.05982	2.1
115.05445	1.9
119.08604	16.6
121.06470	4.1
121.10143	9.0
123.04462	2.3
123.08041	3.4
123.11732	3.1
125.09621	3.0
127.03935	19.4
128.06223	1.7
129.05493	3.8
129.07025	11.8
131.08601	11.2
132.34839	1.4
133.06505	4.0
133.10155	7.5
135.08098	2.1
137.06044	1.8
137.09662	1.5
139.11153	1.4
142.07738	2.6
143.08554	2.2
145.10086	3.4
147.08046	2.9
147.11688	17.4
149.05972	2.3
149.09615	4.7
153.12761	2.5
157.10167	12.7
161.06036	1.7
162.46332	1.6
163.11166	5.1
165.12814	7.7
167.03423	2.8
171.11752	2.6
173.12872	2.0
175.11258	13.1
181.12202	3.6
183.06581	2.2
193.12265	68.5
201.07565	2.2
201.12532	2.1
211.13316	100.0
212.13676	1.8
223.07623	1.8
227.12727	4.4
229.14357	4.7
235.13324	4.0
249.14815	8.5
252.09358	2.1
267.10016	4.5
267.13446	1.8
267.15997	6.8
285.16956	18.8
301.14471	1.9
309.07730	2.5
309.17068	2.5
313.16641	3.0
325.07132	1.6
327.08423	1.7
337.16467	3.8
355.17526	5.0
385.18143	5.5
393.19067	1.8
397.12930	3.1
411.20129	5.3
429.21555	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.8
55.01871	8.0
55.05512	15.4
56.96566	4.7
57.03442	18.6
61.02939	3.6
67.05507	21.5
69.03435	41.7
69.07076	7.3
70.06592	19.2
71.05004	13.7
71.55042	2.8
73.02923	4.3
73.04783	2.3
73.71523	2.2
74.28424	2.0
77.19752	2.1
79.05503	21.0
81.03423	95.0
81.07066	24.9
83.04998	18.4
83.08624	22.2
84.04507	4.8
84.08150	7.9
84.95998	2.5
85.02917	29.5
85.06547	3.0
86.09712	14.4
87.00822	2.5
87.04452	3.3
91.05474	26.4
93.07055	17.0
94.52127	2.2
95.04970	25.1
95.08598	8.4
96.04508	4.2
97.02897	53.4
97.06529	6.9
97.10191	5.5
98.97590	6.7
99.04474	9.4
101.02409	2.7
105.07043	17.6
107.04965	6.4
107.08624	10.6
109.02881	21.5
109.06543	2.8
109.10161	3.1
111.04432	9.5
111.08096	6.2
116.07133	3.5
119.04990	3.4
119.08585	16.2
121.02923	4.3
121.06536	3.8
121.10160	12.9
123.04404	2.8
123.08076	7.4
123.11733	2.6
125.09752	2.4
127.03930	23.0
129.05484	5.0
129.07053	11.3
131.04907	2.9
131.08582	8.6
133.06477	5.2
133.10143	8.9
135.08041	3.0
135.11697	4.1
137.09631	4.1
145.10135	4.5
147.04378	5.3
147.08057	5.4
147.11687	20.5
149.09634	7.2
157.10120	11.8
163.11171	15.1
165.12782	5.7
167.03419	5.4
167.07039	2.8
174.82860	2.5
175.11186	16.1
181.12338	2.2
185.06068	2.6
191.10664	2.3
193.12256	50.2
201.97816	2.2
206.07317	2.7
211.13312	93.6
221.09575	2.5
223.13287	2.8
228.08853	2.5
231.05061	2.9
235.13354	2.6
249.14893	8.7
250.14427	8.2
267.10107	9.6
267.13464	3.3
268.15475	6.3
285.16983	18.3
287.11060	3.1
301.14526	2.8
323.05499	10.9
325.07037	7.8
337.16702	2.7
338.07730	3.1
353.10318	10.5
355.17581	4.7
411.19781	3.5
428.05252	2.9
429.15543	27.0
429.21167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.1
55.01873	12.2
55.05514	21.7
56.05039	7.5
56.96563	10.0
57.03441	29.6
61.02934	41.6
67.05231	3.2
67.05516	32.8
67.40408	4.1
69.03434	27.0
69.07081	10.7
69.17522	31.2
69.17937	5.4
70.06599	73.8
71.01374	6.1
71.04986	6.2
72.08152	13.8
73.02937	18.9
74.06110	4.4
74.73426	3.1
79.05521	28.9
81.02985	6.8
81.03428	100.0
81.07067	22.4
83.04985	9.6
83.08627	19.7
84.04514	6.1
84.08149	37.0
85.02914	51.7
85.06529	8.1
86.09718	23.6
91.03965	21.2
91.05452	35.7
93.07037	27.4
95.04974	93.1
95.08612	12.4
97.02904	37.5
97.06552	5.4
97.10174	5.7
98.97587	22.2
99.04472	6.8
101.02343	5.6
101.79219	3.6
103.03962	16.4
103.05447	4.4
105.03400	14.0
105.07030	24.1
107.04982	23.3
107.08609	15.1
109.02898	22.4
109.06516	10.4
109.10153	8.0
111.04457	8.2
111.08083	9.2
115.03902	4.9
116.07079	18.2
116.98626	10.4
117.07026	11.6
118.54065	3.6
119.04948	6.2
119.08619	19.6
121.02901	6.3
121.06494	15.3
121.10135	8.1
123.04435	45.4
125.09615	8.1
127.03941	21.5
128.06189	4.2
128.98543	4.3
129.07022	13.3
129.10252	11.2
131.00160	6.7
131.04945	7.8
131.08557	17.2
133.06467	7.0
133.10143	9.4
135.04424	6.9
135.08080	6.7
135.11694	12.9
137.05942	6.6
143.08600	3.9
145.04964	7.1
145.06525	8.5
145.10143	19.6
147.04436	19.4
147.08009	6.9
147.11691	10.2
149.01250	5.7
149.05930	7.2
149.09641	6.0
155.08499	4.5
157.10135	7.6
158.99692	6.8
159.08044	4.1
161.05995	9.3
161.09561	5.7
163.03864	4.1
163.11169	18.5
165.05470	4.8
167.05446	4.2
171.11725	7.2
171.61375	4.3
173.06039	3.8
173.09587	7.0
173.13036	4.0
175.11177	9.6
177.00726	6.8
183.14969	5.8
189.05443	4.3
189.11218	4.8
189.12782	9.4
193.12279	30.0
195.08157	6.7
205.12279	7.9
207.13759	8.5
216.85463	3.4
217.12257	10.2
223.07573	8.2
223.13358	5.8
231.13794	6.2
235.10963	4.6
235.13324	75.5
237.02869	4.2
237.14975	3.4
240.10147	9.9
243.08896	41.8
243.59062	5.8
249.14941	4.7
249.18303	3.3
253.08795	3.4
253.14386	5.2
259.13376	17.8
267.09796	10.0
267.15915	33.4
268.09732	9.0
273.14926	27.8
277.14365	9.2
283.09839	4.2
283.13312	4.0
286.10800	13.5
289.14474	7.0
299.72385	3.9
301.14352	27.5
309.17004	36.5
311.43433	3.2
315.38324	3.7
319.15244	8.7
333.17041	4.6
339.92545	3.7
340.09805	4.0
345.17108	4.2
351.17856	4.7
359.02866	3.6
363.18057	5.4
369.12259	5.5
375.17996	21.9
380.54602	3.5
385.14349	5.6
385.84216	4.5
393.19080	10.7
394.13214	3.6
411.20206	11.0
429.21127	15.2
430.16232	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	429.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01873	0.8
55.05520	5.1
57.03240	0.6
57.03446	6.9
57.07076	0.6
58.56623	0.6
65.03939	1.3
67.05173	0.9
67.05514	14.5
68.05767	0.5
69.03426	1.3
69.07066	3.0
71.04984	1.2
71.55409	0.8
79.05070	0.7
79.05503	14.0
81.03427	7.3
81.07068	14.7
83.04985	2.0
83.08616	2.5
85.06521	1.1
89.03930	0.6
91.05483	10.1
93.07057	16.2
95.04974	3.5
95.08620	9.7
97.02859	0.9
97.06557	1.0
97.10181	0.8
98.98495	0.8
99.08140	0.6
103.05485	1.0
105.07043	8.6
107.04977	1.0
107.08601	7.8
109.10175	5.3
113.00031	100.0
115.05444	0.9
116.49828	0.6
117.07012	2.6
119.08605	5.8
121.10149	9.6
123.11704	2.6
129.07001	1.7
131.08556	5.4
133.10136	3.8
135.04364	1.2
135.11723	4.8
137.13239	1.2
145.02864	1.0
145.10172	4.3
147.04430	0.9
147.11716	3.0
149.09621	2.0
149.13298	4.9
151.11258	0.9
151.14867	0.7
157.06491	0.8
157.10167	1.2
159.04433	3.4
159.11690	3.2
161.02367	2.4
161.13292	2.0
163.03896	8.8
163.14845	2.4
169.02631	89.0
170.03024	0.8
171.04453	1.1
173.02370	5.4
173.05959	1.1
173.13287	2.7
175.14894	1.3
175.16512	0.7
177.16400	1.1
185.06033	1.2
187.03969	4.7
187.14853	1.6
193.12308	2.1
199.03970	2.7
199.07535	0.6
200.96715	0.6
201.05502	1.7
201.16408	0.7
213.05453	4.3
215.07042	0.8
233.22646	1.7
242.52609	0.6
243.21179	6.4
261.22189	20.8
267.13846	2.4
283.13309	1.3
293.11795	1.3
311.12851	2.4
311.16238	0.7
327.15826	1.6
337.14166	1.0
355.15436	4.0
429.19168	39.8
429.23795	1.4
429.31784	4.6
429.37015	1.0
430.19641	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	26-Hydroxystigmast-4-en-3-one
Peak:m/z	Relative Intensity
51.40644	1.6
53.03891	1.6
55.05514	13.7
57.07082	17.9
66.73983	1.4
67.05511	12.6
69.07072	31.4
70.72389	1.6
70.87743	2.2
71.08631	15.1
73.71339	1.8
75.72106	1.6
75.84309	1.7
79.05489	6.9
81.07062	25.7
83.04995	4.2
83.08616	10.4
85.10184	9.1
91.05473	7.7
93.07065	15.7
95.08617	34.0
97.06537	4.8
97.10172	12.9
105.07027	14.9
107.04966	3.0
107.08611	16.5
109.06500	3.4
109.10168	12.9
111.11732	4.7
111.27367	1.6
117.07053	3.6
119.08582	13.9
121.06516	5.6
121.10140	10.3
123.08069	7.1
123.11713	6.5
125.13254	2.3
129.07011	3.3
131.08577	9.8
133.06500	2.3
133.10144	11.3
135.08055	4.3
135.11687	8.5
137.09599	4.3
137.13318	3.3
141.06943	2.5
142.07745	2.0
143.08583	7.1
145.10110	9.0
147.11703	11.2
149.09613	11.7
149.13248	6.2
155.08595	2.5
157.10100	9.5
159.11688	9.8
161.09654	4.2
161.13287	4.4
163.11191	7.0
163.14847	4.2
165.09134	20.2
169.10165	3.2
171.11752	6.2
173.13293	5.4
175.11200	17.1
177.12787	5.1
177.16281	3.9
179.18027	2.1
183.11739	3.1
183.87796	1.9
185.13252	5.1
187.14853	4.9
189.12752	5.3
197.13193	4.5
199.14865	5.3
201.12814	2.2
201.16425	2.9
203.14272	4.0
210.12164	1.7
211.14836	3.1
213.16466	3.0
215.14372	2.7
217.15944	5.2
225.16348	2.3
229.15900	6.9
231.17534	2.2
235.24219	1.8
243.17407	2.2
253.19539	5.0
257.19049	4.8
267.21216	1.8
271.20633	6.4
287.27966	1.7
295.24109	2.1
299.23846	1.8
313.25464	1.9
353.31995	2.1
383.37024	4.0
393.35028	10.4
411.31183	1.4
411.36206	39.8
429.32413	4.2
429.37302	100.0
430.37677	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	430.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.6
69.03469	1.9
69.82837	3.6
69.83244	6.7
70.06581	5.5
72.08172	2.1
77.16404	1.4
81.03381	2.0
84.08134	4.1
85.02904	5.3
86.09715	2.2
91.05795	2.7
91.18645	1.4
97.02910	2.2
98.21458	1.6
98.97561	3.2
103.05492	7.0
106.06567	9.4
120.08115	100.0
124.07608	13.8
130.08702	2.2
131.04913	2.1
133.18932	1.6
136.06200	40.6
140.00220	1.9
142.01794	2.5
146.01042	1.7
149.05923	1.7
149.69791	1.5
160.02773	2.0
166.08653	46.8
186.46815	1.5
199.12303	1.5
202.61130	1.5
210.08774	1.8
316.08960	2.1
430.17148	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	430.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01865	1.8
55.05495	1.1
56.96560	1.6
57.03438	4.5
60.32651	1.0
61.02928	8.3
61.24485	0.7
62.91778	0.7
65.05790	0.8
69.03437	15.0
69.07053	3.7
69.73479	4.4
70.06610	6.4
71.04981	2.6
72.08157	5.9
73.02904	3.3
79.05501	1.0
81.03419	8.1
84.04492	3.7
84.08138	5.3
85.02910	100.0
86.09711	47.4
87.04480	1.6
91.03960	5.0
95.04984	1.2
97.02890	22.1
97.06523	1.5
98.97577	2.1
99.04455	3.7
100.00906	0.9
102.05552	1.2
103.03961	1.3
109.02892	10.7
121.02898	1.0
124.03893	0.9
127.03928	27.9
129.10229	2.1
130.04985	2.4
131.00259	0.9
132.10202	1.1
137.02357	1.0
143.11754	2.3
145.04964	54.6
147.07629	5.4
157.13385	0.8
158.99644	0.9
163.03964	1.2
163.06024	18.7
171.11319	1.7
173.56561	0.8
174.19138	1.1
176.09038	1.0
195.01108	2.7
196.01447	3.5
199.36890	0.8
209.02721	1.3
229.15396	1.2
251.14986	1.6
253.62860	0.8
258.13300	0.9
260.03885	0.9
260.16110	1.6
298.14825	1.3
309.13217	0.8
412.15866	2.1
430.10623	1.1
430.16345	2.5
430.30298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01880	2.0
56.96574	1.8
56.97387	0.8
57.03434	5.1
61.02934	9.3
69.03080	1.7
69.03434	18.7
69.07063	2.6
70.06593	6.2
71.04978	2.3
71.54956	1.2
72.08173	5.4
73.02905	3.7
74.62503	1.1
81.03424	6.0
81.26277	1.1
84.08143	2.9
85.02913	100.0
86.09713	11.6
87.04482	1.9
91.03971	5.6
91.05457	1.2
97.02902	26.8
97.06519	1.0
98.97594	2.6
99.04459	3.8
100.02289	0.9
102.05559	1.0
102.40222	0.9
103.03951	1.1
105.03387	1.0
107.74119	0.9
109.02895	8.8
127.03925	27.7
127.07417	0.9
128.98669	0.9
129.10283	2.2
130.60747	1.0
142.89316	0.9
145.04977	59.5
147.04424	1.1
147.07703	1.6
149.01181	1.1
158.04184	0.9
163.06041	20.2
163.07393	1.7
221.13017	0.9
251.15117	1.2
254.11053	1.2
263.57239	1.1
274.09784	1.0
323.09256	1.4
325.11182	0.9
430.21539	1.3
430.30914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
56.23680	1.9
65.63034	2.0
67.05508	3.1
69.42419	18.5
79.05478	6.6
81.03422	3.8
81.07065	4.2
85.02910	4.8
89.03902	15.7
91.05470	3.6
93.07045	4.3
95.08622	3.6
97.02898	2.6
97.06515	4.4
107.08561	2.3
117.03385	36.5
117.05452	2.1
119.08627	2.7
134.03670	4.2
135.04425	7.7
137.05960	2.9
145.02858	59.6
149.05977	9.5
163.03908	31.0
171.06476	2.5
177.05479	100.0
215.07002	2.8
237.07590	2.6
241.13495	2.1
251.09203	3.4
254.05656	2.5
259.09747	2.5
269.12329	7.6
270.12567	5.2
271.12161	2.6
315.08609	5.4
399.77216	2.5
413.12415	3.0
417.18002	2.1
431.13672	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	431.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65780	0.5
55.05511	1.0
56.96573	0.6
57.02075	0.5
60.04505	0.5
69.73091	3.0
70.06606	2.5
72.08176	3.5
82.50611	0.5
84.04494	1.3
84.08167	3.7
85.02908	1.3
86.09715	3.2
98.21533	0.6
98.97578	1.2
129.10298	0.8
131.23772	0.6
136.44917	0.5
142.08699	0.7
143.01935	0.5
147.04466	0.7
177.05428	0.7
185.06639	0.9
201.12390	0.5
287.11014	4.0
329.11539	1.7
347.09500	0.7
369.15298	12.0
371.13168	6.3
387.15683	0.6
393.24716	0.5
413.14215	1.6
431.15308	100.0
432.15457	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05522	0.6
55.45638	0.5
56.96566	1.2
57.03431	0.5
57.59265	0.5
62.73915	0.5
67.05512	0.8
69.03432	1.2
71.34898	1.0
77.08711	0.5
78.10866	0.5
79.05502	0.8
81.03426	0.7
81.07057	1.0
84.08174	0.8
85.02923	0.9
86.09726	0.9
93.07049	1.3
95.04945	0.7
95.08598	0.8
97.06559	1.0
98.97604	1.1
104.57654	0.5
107.08566	0.5
121.02864	0.8
121.06541	0.5
121.10169	0.5
126.92345	0.5
131.05009	0.5
145.10126	0.8
163.03940	0.7
185.09702	1.3
214.09998	0.6
235.26646	0.5
253.12248	1.2
259.09616	0.6
267.09048	0.6
269.12042	1.0
269.15408	1.8
287.05438	1.0
287.14859	2.0
347.15616	1.2
369.18832	7.0
371.16769	1.4
399.13547	1.2
413.17712	1.0
431.18991	100.0
432.19302	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	431.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03838	1.0
61.42976	0.9
68.86945	1.1
69.03441	1.7
69.82568	1.1
69.82878	6.4
81.07069	1.9
85.02925	1.1
86.09711	1.2
89.62502	1.3
97.06552	1.7
98.97607	1.5
109.06511	1.4
109.82466	1.0
121.06505	2.0
145.06511	1.6
147.08089	5.5
153.01772	1.1
159.08083	2.7
161.09644	10.5
171.08034	7.6
173.09705	1.6
179.08675	1.4
181.06517	1.2
185.09607	3.3
186.10384	1.7
188.56190	1.1
195.08127	1.6
195.11635	1.1
196.08861	1.1
197.09668	9.0
199.07539	8.3
199.11246	1.3
209.09581	2.0
210.10516	1.6
211.07658	1.3
211.11198	2.9
213.09140	26.5
213.12540	5.2
214.09903	100.0
215.10294	2.2
221.09682	1.9
222.10461	1.8
223.11189	2.3
225.12830	9.3
227.10690	3.2
227.14404	2.4
236.12051	1.7
241.15843	3.3
251.14391	8.2
269.15381	74.1
275.12808	1.2
341.90955	1.1
344.64609	1.2
431.19086	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	431.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03838	1.0
61.42976	0.9
68.86945	1.1
69.03441	1.7
69.82568	1.1
69.82878	6.4
81.07069	1.9
85.02925	1.1
86.09711	1.2
89.62502	1.3
97.06552	1.7
98.97607	1.5
109.06511	1.4
109.82466	1.0
121.06505	2.0
145.06511	1.6
147.08089	5.5
153.01772	1.1
159.08083	2.7
161.09644	10.5
171.08034	7.6
173.09705	1.6
179.08675	1.4
181.06517	1.2
185.09607	3.3
186.10384	1.7
188.56190	1.1
195.08127	1.6
195.11635	1.1
196.08861	1.1
197.09668	9.0
199.07539	8.3
199.11246	1.3
209.09581	2.0
210.10516	1.6
211.07658	1.3
211.11198	2.9
213.09140	26.5
213.12540	5.2
214.09903	100.0
215.10294	2.2
221.09682	1.9
222.10461	1.8
223.11189	2.3
225.12830	9.3
227.10690	3.2
227.14404	2.4
236.12051	1.7
241.15843	3.3
251.14391	8.2
269.15381	74.1
275.12808	1.2
341.90955	1.1
344.64609	1.2
431.19086	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	432.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03936	1.1
53.66032	0.4
57.03417	0.5
65.03931	0.9
69.03440	2.9
70.06597	1.0
70.66805	1.0
71.04981	0.4
73.02895	0.6
78.03457	5.0
80.05013	0.9
81.02994	0.4
81.03429	5.7
81.07049	0.4
84.57654	0.4
84.58215	0.4
85.02895	3.1
91.05488	8.8
93.07037	0.6
95.04941	1.3
96.04504	1.1
97.02905	2.2
99.04436	1.0
106.02924	20.2
106.16292	0.4
109.02884	4.1
119.04945	21.8
121.06506	8.2
123.04456	5.3
124.03958	34.3
127.03922	2.1
147.04414	100.0
148.04750	1.2
163.03867	0.4
165.05482	1.8
166.05035	0.9
173.30783	0.4
219.43451	0.4
231.06540	0.5
240.10191	0.5
250.07161	6.6
268.08163	19.3
271.06064	0.8
328.67773	0.4
350.80692	0.5
389.17834	0.9
414.11841	3.0
432.12985	5.8
433.16837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49880	1.8
53.03934	4.5
57.03435	2.2
61.02922	3.2
65.03928	1.8
69.03433	9.4
69.62147	4.2
69.62561	8.6
71.04991	4.6
76.66416	1.9
81.03419	12.5
83.04978	2.6
83.80629	1.5
85.02916	72.8
85.03434	4.0
91.05488	68.2
97.02900	28.4
99.04464	45.7
103.03953	93.5
103.04642	4.4
109.02877	17.8
127.03931	100.0
129.07047	2.6
145.04977	70.5
163.06024	47.4
187.06035	6.8
199.07582	2.8
203.01726	1.8
205.07074	4.6
213.09120	2.3
214.09805	5.4
215.07047	2.7
215.10190	5.1
217.08546	4.8
235.09520	1.8
259.09326	1.9
269.15173	2.0
270.15643	2.9
271.05850	22.8
271.08282	3.9
289.09082	4.1
304.80267	1.7
307.10144	5.9
337.31491	1.9
432.18811	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	432.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19827	2.3
56.96560	4.2
59.04984	2.1
69.03416	4.2
70.06597	6.4
71.54070	2.9
72.08154	7.9
73.06559	23.5
81.03443	2.4
83.06078	2.0
84.04527	3.2
84.08140	3.9
85.02909	22.7
86.09701	7.3
91.07578	5.8
97.02894	6.9
98.97585	3.4
103.05437	6.3
109.02920	3.2
120.08115	100.0
127.03921	6.0
131.04994	3.4
134.06068	4.9
136.45674	2.3
140.07318	2.0
142.01736	2.3
145.04991	9.6
149.05974	2.7
152.07069	4.2
163.06032	2.9
166.08647	43.6
170.08086	2.3
229.11974	2.1
260.43832	2.1
289.12772	2.4
299.10614	3.2
432.15466	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	432.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	62.4
67.05514	82.3
69.07063	69.6
71.54939	88.8
75.24122	50.6
81.07099	78.2
93.07063	80.8
95.08577	87.5
107.08616	63.0
109.10159	75.9
109.89075	48.0
138.80244	49.7
177.12778	81.3
269.17551	100.0
387.73346	55.5
459.09793	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
60.04521	0.2
67.01861	0.3
67.05499	0.2
68.99799	0.5
69.03457	0.2
69.66913	0.9
70.06567	0.2
72.08163	1.2
81.03438	0.3
85.02927	0.3
86.09689	0.5
89.03900	0.2
91.05490	1.6
97.06543	0.2
107.04918	0.4
109.02855	0.2
111.00798	0.4
115.05437	0.2
116.07116	0.2
119.04921	0.6
121.02855	0.7
121.74998	0.2
127.03888	0.2
129.06914	0.2
131.04971	0.2
133.02838	0.2
133.06439	0.2
137.02397	0.2
138.72957	0.2
141.07005	0.3
145.02858	1.2
145.06526	0.3
146.11713	0.2
147.04404	0.3
147.08064	0.2
149.02354	2.4
150.41269	0.2
153.01846	5.5
159.04436	1.0
159.08098	0.2
165.01849	0.5
169.06487	1.1
173.06012	0.2
175.07597	0.3
181.04926	0.3
185.06079	0.2
187.03900	0.3
187.07538	0.5
189.09166	0.2
197.05991	1.0
200.04759	0.2
213.09149	0.2
215.07054	5.7
217.08652	0.2
225.05528	0.4
241.08786	0.3
243.06540	3.7
244.06943	0.2
253.04958	2.0
259.09561	0.3
269.15381	0.2
270.14548	0.3
271.06033	100.0
272.06396	2.2
362.95004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
60.21618	0.2
62.63329	0.1
64.86806	0.2
64.87129	0.1
67.01862	0.5
68.99815	0.3
69.20905	1.3
70.02513	0.1
80.50903	0.2
91.05475	0.3
119.04966	1.5
121.02869	0.4
125.02422	0.1
145.02853	0.6
153.01840	4.5
159.96376	0.1
161.95872	0.1
163.03877	0.4
171.02939	0.3
187.03929	0.2
225.05516	0.2
229.04994	0.2
243.06464	0.3
247.06160	0.2
254.05769	0.2
269.08118	0.3
270.05423	0.2
270.08325	0.3
271.06027	100.0
272.06369	1.9
325.48822	0.2
330.33688	0.2
433.11243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1137
Annotation	Genistin
Peak:m/z	Relative Intensity
51.24954	0.2
53.03949	1.1
55.01862	0.8
55.05508	0.3
57.03439	1.7
61.02932	2.0
64.36621	0.3
67.05529	0.2
68.99803	0.4
69.03436	7.8
69.60250	0.8
69.60656	0.5
70.06577	0.3
71.01360	0.4
71.04988	0.6
73.02936	1.8
78.47170	0.2
79.05470	0.3
81.03431	3.4
81.07072	0.3
83.05028	0.2
84.08162	0.3
85.02912	21.4
85.49660	0.2
86.09724	0.2
87.04469	0.9
91.03960	0.6
91.05498	1.9
93.07054	0.5
95.04977	0.3
95.35332	0.2
97.02279	0.4
97.02896	5.4
97.06532	0.5
99.04506	1.3
101.02364	0.3
103.03941	0.9
103.05436	0.3
106.02941	0.6
107.03299	0.4
107.04988	0.3
109.02898	3.3
115.03970	0.3
119.04945	1.3
119.08555	0.4
120.05282	0.4
121.02863	0.7
121.10165	0.3
124.03967	0.8
125.04289	0.4
127.03925	5.0
131.05008	0.3
131.08607	0.3
141.07001	0.6
145.02876	1.1
145.04964	1.8
145.06046	0.2
145.06361	0.2
147.04425	2.1
148.04784	1.4
149.02347	2.2
151.03885	0.3
153.01840	5.1
159.04439	1.0
163.03893	0.6
165.01837	0.6
167.07077	0.4
169.06450	1.2
173.02335	0.4
181.04933	0.7
187.04012	0.3
187.05998	0.7
187.07520	0.5
197.05981	1.7
200.04564	0.3
215.07048	4.6
225.05391	0.4
241.08597	0.3
243.06522	3.5
253.04964	2.7
254.05650	0.3
255.06415	0.3
259.09705	0.3
267.06369	0.3
269.08728	0.4
271.06030	100.0
272.06363	2.0
283.06030	0.7
295.06015	1.0
299.05817	0.3
313.07071	2.8
337.07034	0.7
433.14999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85461	1.0
53.03962	1.6
55.01890	2.2
55.05517	1.7
56.96573	2.2
57.03426	2.3
59.66308	1.1
61.02935	1.3
65.03937	2.1
67.05498	1.8
69.03431	4.4
69.07075	1.5
70.06608	5.5
71.04991	1.6
71.55061	1.3
72.08160	2.0
74.09738	1.9
79.01900	1.2
79.05499	2.4
81.03430	3.6
83.04990	2.1
85.02916	8.2
85.06557	2.1
85.84889	1.3
86.09725	3.2
91.05501	3.0
93.07055	1.6
95.04986	3.7
97.02904	1.8
97.06541	3.3
98.97570	2.7
99.04444	3.2
103.03979	1.3
107.04958	2.6
109.02901	5.1
112.05087	3.0
119.04951	4.1
120.08110	2.7
121.02880	13.3
124.05243	1.2
127.03923	6.9
131.04967	1.5
137.02339	1.4
137.06001	2.1
140.04594	3.2
141.01831	1.8
145.02838	4.0
145.06438	1.7
147.04434	2.1
149.02356	1.3
151.03920	5.2
153.01837	1.5
161.06026	3.2
163.03877	5.6
165.01852	12.8
167.03439	3.8
167.07106	2.7
167.08484	1.5
167.14368	2.0
169.06519	2.8
175.03880	1.4
181.04968	9.7
181.06418	2.1
183.02948	4.4
185.06703	2.5
185.11761	4.3
187.04019	1.9
187.06046	1.2
187.07542	2.0
189.05519	2.1
193.08699	1.6
193.44308	1.2
195.02957	1.8
195.08159	2.0
197.06020	2.5
200.04752	2.3
207.25668	1.1
213.05496	3.3
213.09126	2.3
215.07042	8.9
217.04996	2.0
221.08180	2.4
227.07086	1.4
229.05008	1.7
237.02820	1.2
241.08739	4.7
243.02971	1.8
255.06487	2.6
256.07257	3.9
259.09689	4.5
267.06497	5.4
270.05301	2.8
271.06009	8.3
281.08206	6.7
283.06046	100.0
284.06796	20.5
285.07523	1.4
287.05386	2.1
295.06061	14.2
295.09558	2.1
295.51276	1.2
297.07556	7.7
305.08047	2.4
307.06165	3.6
308.06888	2.9
309.07556	18.7
311.05560	2.1
313.07086	80.4
314.07339	2.3
321.07544	2.7
323.05743	1.5
323.09140	16.3
333.07581	3.0
337.07089	32.7
341.10272	3.3
349.07086	8.7
351.08688	2.6
361.07025	7.1
367.08154	21.6
379.08197	19.3
397.09213	24.1
403.13922	4.5
415.10165	19.1
418.59192	1.4
433.10883	19.4
433.19974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03936	1.5
55.01874	0.9
55.05510	0.5
56.05034	0.7
64.60326	0.5
65.03946	3.4
67.05510	1.3
69.03417	2.9
70.06600	6.2
71.54799	0.7
72.08150	1.5
74.06076	0.7
79.05502	3.6
81.03429	4.1
82.04205	1.0
82.26945	0.4
84.04502	0.7
84.08161	4.0
85.02918	9.1
86.09724	3.4
88.91113	0.5
91.05479	1.1
91.45509	0.6
93.03423	0.8
95.04972	2.7
97.02900	4.0
97.06549	0.8
98.97591	0.9
99.04451	4.1
103.03949	4.1
104.05312	0.6
105.07034	2.9
107.04974	7.1
109.02903	3.9
109.06525	0.4
110.03658	1.8
111.04419	0.6
115.05462	1.1
123.04446	1.9
124.05151	0.9
125.05998	1.4
127.03932	100.0
129.10269	1.5
132.34789	0.5
133.06508	3.2
138.03123	0.6
142.02647	1.3
145.04993	3.8
152.04799	0.8
153.05438	1.1
155.07034	0.9
161.05983	5.0
163.03886	0.5
167.07057	10.0
171.06561	0.7
171.11444	0.5
181.04976	46.8
183.06567	1.0
187.06126	1.1
189.05484	0.6
190.58652	0.4
193.08615	6.3
221.05963	0.6
221.08107	11.7
233.08173	0.9
249.07602	7.7
271.05960	2.7
341.10159	0.7
351.24936	0.5
372.12238	0.7
373.12900	0.6
403.13950	23.0
404.14240	0.5
433.15561	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	433.1503
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.49660	1.0
56.96576	1.1
67.05504	2.7
69.07079	1.4
70.20268	5.2
77.22500	1.2
79.05499	2.3
81.07042	2.3
83.04981	1.3
91.05518	2.6
93.07059	2.5
97.06517	3.0
97.71594	1.0
99.04475	1.0
104.27444	1.2
104.65027	1.0
105.07023	1.7
106.41337	1.0
109.06530	1.5
109.10188	1.1
119.08610	1.7
131.08603	1.8
133.10120	1.2
147.04413	3.5
161.47876	1.1
163.03969	2.4
165.05469	7.8
178.06332	1.5
183.02910	3.9
183.62921	1.2
191.97638	1.3
211.02318	2.1
231.40288	1.1
271.06046	3.2
283.06012	1.1
286.08215	1.2
289.07138	1.6
299.05585	2.1
311.05618	2.0
317.06635	4.7
327.05029	3.7
329.06805	2.5
335.23615	1.1
339.05112	2.9
342.07547	1.7
345.06073	7.9
354.07477	1.4
357.05948	1.6
357.09970	1.9
359.07529	2.3
360.08545	3.3
370.06894	1.4
373.05563	5.0
375.10681	2.5
385.09317	7.2
387.07095	4.2
388.07916	5.0
399.10693	1.6
403.10272	67.7
404.10855	2.2
417.12061	3.5
418.12534	10.7
433.15018	100.0
434.15384	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1499
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03943	2.1
55.01869	0.7
56.05025	0.6
59.78169	0.4
60.04516	0.6
61.02941	0.6
65.03947	4.5
67.05496	1.9
68.19048	0.4
69.03439	3.3
69.07058	0.5
69.20280	4.1
70.06246	0.5
70.06597	4.8
71.04981	0.5
72.08158	1.0
73.02911	0.7
74.06088	1.0
75.97475	0.5
79.05500	5.3
81.03425	3.6
81.07023	0.6
82.04189	1.5
84.04524	0.8
84.08154	2.5
85.02427	0.7
85.02914	10.5
86.09713	4.2
91.05476	0.8
93.03434	1.0
93.37875	0.4
95.04990	3.0
96.40594	0.4
97.02901	5.6
97.06537	1.3
98.97578	0.7
99.04462	4.9
103.03938	4.8
103.05439	0.6
104.05334	0.7
105.04539	0.5
105.07039	4.2
107.04288	0.8
107.04964	9.9
108.02079	0.6
109.02892	4.4
110.03682	2.2
111.04471	0.8
115.05450	0.9
117.71722	0.5
119.04956	0.5
121.02876	0.6
123.00768	0.6
123.04478	2.5
124.05200	1.3
125.05991	1.6
127.03925	100.0
128.04256	1.1
129.10246	1.2
133.06502	5.2
136.07578	0.5
138.03146	0.9
142.02623	2.0
145.04999	3.5
145.06091	0.6
147.04408	0.6
149.02509	0.4
151.03966	0.7
151.54414	0.4
152.04666	1.0
153.01765	0.6
153.05460	2.0
155.07040	1.1
160.05193	0.7
161.06000	6.3
163.03983	0.8
163.06026	0.7
167.07063	13.8
171.06549	3.0
181.04970	55.3
182.05318	0.7
183.06609	1.4
187.06009	1.0
189.05493	1.2
191.03337	0.5
193.08607	7.6
193.10286	0.6
206.05748	0.7
207.06549	0.8
221.05959	0.7
221.08084	18.0
233.08200	1.2
234.72150	0.5
249.05028	0.6
249.07594	11.2
254.15054	0.5
271.06006	5.5
271.08337	0.6
283.06107	0.6
318.06143	0.5
325.10629	0.6
329.10330	0.7
357.13867	0.5
372.12054	1.0
403.13910	36.3
404.14227	0.9
415.14130	0.6
433.15723	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	433.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01880	0.7
61.09098	0.6
69.03393	0.6
69.53061	1.8
69.53475	2.8
74.63206	0.7
81.03435	1.2
85.02907	1.4
91.05471	1.4
95.04932	1.2
98.97598	0.9
102.11755	0.9
119.04929	1.7
121.06461	0.8
124.03971	0.9
125.52737	0.7
127.03922	1.7
147.04433	3.1
148.04796	1.3
151.03860	1.0
152.06252	0.9
153.01865	2.1
161.05927	0.9
164.74060	0.7
167.08624	1.0
171.06544	0.7
173.06013	1.5
181.05016	1.4
185.11520	11.8
195.08075	1.0
201.13972	0.7
213.11012	6.8
215.07018	2.1
217.05037	1.3
234.11397	0.7
241.08618	9.1
245.74167	0.7
259.09753	1.0
271.06055	33.5
313.16785	0.7
329.15848	2.6
347.16803	26.7
347.21094	1.4
348.17136	0.9
389.17868	88.8
390.18164	1.5
433.16888	100.0
434.17511	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	433.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37788	0.4
53.03942	0.7
55.05518	0.9
56.96556	0.8
60.04526	1.2
69.03423	0.6
69.07053	0.5
70.06591	1.2
71.54266	0.7
72.08161	8.1
72.32298	0.4
74.06073	1.7
81.03410	1.2
83.11308	0.4
84.04493	1.5
84.08149	0.9
85.02908	2.4
86.09707	5.6
88.04013	0.6
95.04984	0.5
97.02926	0.8
98.97588	1.5
98.98383	0.5
99.04481	0.7
100.97350	0.4
102.05566	0.6
103.03944	0.5
105.03410	0.5
106.89266	0.6
109.02866	0.6
119.04948	0.4
120.06615	0.4
127.03922	6.6
132.10225	0.8
167.04906	0.5
173.12878	0.9
181.04950	2.2
185.05974	1.0
187.10820	1.0
191.10262	1.0
201.12354	1.7
208.30099	0.5
213.05521	1.0
215.10277	1.1
215.14058	0.8
219.01747	0.5
219.13434	1.7
221.08138	1.1
228.95891	0.4
237.02805	0.5
241.05173	0.5
249.07732	0.6
259.06052	1.8
263.81308	0.5
271.06274	0.5
271.11658	0.7
302.13449	0.4
305.08432	0.9
313.11383	0.6
315.07349	0.6
333.08594	0.6
363.08966	7.0
365.10535	4.9
389.17984	0.9
403.14038	0.8
433.12332	3.6
433.16843	100.0
434.17175	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	433.2356
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.10295	2.4
53.03944	2.5
53.13777	2.3
55.05512	10.4
57.03444	11.6
57.07074	3.2
65.03949	2.2
67.05180	3.0
67.05513	59.6
67.62798	2.3
69.07053	12.1
69.76084	11.3
70.06590	3.2
76.50085	2.7
79.05499	34.2
81.07068	67.6
81.67950	2.5
83.08627	4.7
90.06653	2.4
91.05476	19.9
93.07061	45.9
95.04994	3.3
95.08054	4.5
95.08620	51.7
97.06543	2.6
97.10181	2.8
98.98480	89.0
105.07044	18.6
107.08613	27.9
109.06532	3.3
109.10180	26.7
117.07031	7.9
119.08605	13.2
121.10161	32.0
123.11728	11.6
131.08606	15.0
133.10156	13.1
135.11726	16.3
137.13249	7.6
145.10153	14.1
145.17609	2.5
147.11713	9.2
149.13280	13.6
155.01042	9.9
159.11713	7.5
161.13281	6.2
163.14830	8.5
173.02164	17.2
173.13295	10.6
175.14861	5.5
177.16331	2.6
187.14841	3.2
194.07753	2.6
194.76765	2.5
200.25246	2.7
203.10466	2.3
243.21130	18.7
261.22202	57.4
271.06006	3.3
317.24811	8.9
331.09613	2.2
335.25854	100.0
415.22348	5.0
433.16516	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	433.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.9
53.03937	10.1
55.01875	8.8
55.05516	32.5
56.96567	5.7
57.03440	33.4
57.07079	3.4
61.02643	5.3
61.02933	68.3
65.03943	6.3
67.05165	4.5
67.05510	52.3
69.03435	36.6
69.07076	32.6
69.95084	2.5
70.06559	3.5
70.25890	4.1
71.04996	15.6
71.34726	4.6
73.02924	31.7
78.67445	2.5
79.05488	37.1
79.50968	3.4
81.03417	33.9
81.07063	91.6
83.04984	13.7
83.08631	16.6
85.02910	78.4
85.06554	14.0
85.42337	3.1
87.00837	3.2
87.04462	7.1
89.03951	2.7
91.03958	45.9
91.05489	36.2
93.07056	37.4
95.04980	22.3
95.08609	100.0
95.73971	2.7
97.02903	65.1
97.06540	53.8
97.10198	13.1
98.97582	3.1
99.04462	14.1
99.08086	7.9
101.02383	12.4
103.03929	8.5
105.07040	31.1
107.04986	5.2
107.08615	18.5
109.02890	20.8
109.06509	5.3
109.10173	18.0
111.04452	3.8
111.08073	4.1
114.59636	3.0
115.03922	5.2
115.05469	2.9
117.07024	10.0
119.08600	34.8
121.06467	5.5
121.10133	12.2
123.08084	5.5
125.09691	4.0
127.03924	38.5
129.05487	7.8
129.07021	4.6
131.04909	3.8
131.08580	12.3
133.10146	25.9
134.34102	3.4
135.04425	4.3
135.08083	3.7
135.11690	11.6
137.09612	6.7
137.13258	9.4
143.08542	3.5
145.02847	7.2
145.04945	9.9
145.06453	6.7
145.10107	4.8
147.06514	4.6
147.08006	4.0
148.11928	3.1
149.09593	5.3
149.13225	7.9
151.03975	3.2
153.01848	6.5
157.10052	3.4
159.06596	2.8
159.11719	4.9
161.02386	6.5
161.05983	4.1
161.13263	54.7
161.75319	2.6
163.03909	27.7
167.07077	5.1
167.14349	7.0
169.10138	3.6
171.08069	4.5
171.11671	4.3
173.02374	13.8
173.09569	3.8
179.14316	47.4
181.04967	12.3
183.06557	7.0
185.11691	4.4
185.13300	5.3
185.15297	6.1
189.12761	3.5
191.03293	3.7
197.15390	8.6
201.07617	5.0
205.12364	3.0
211.11174	4.9
211.45068	2.9
215.06996	17.0
218.56271	3.5
233.08057	3.7
253.18062	14.8
257.04547	3.3
258.05325	3.6
259.09723	23.5
271.06024	45.6
271.19101	83.1
283.05945	9.9
286.04739	7.3
287.05573	21.5
307.01968	3.1
313.07114	11.7
323.20047	4.7
333.03928	3.6
337.06967	5.2
341.21213	23.3
359.22296	5.0
389.06680	3.9
403.13846	3.2
415.24307	7.4
433.08105	8.0
433.14621	26.3
433.19540	9.5
433.24405	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	433.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
54.03196	1.2
55.01874	10.3
55.05266	2.4
55.05517	32.9
56.96558	1.5
57.03444	8.8
59.05003	1.2
65.03954	2.9
67.05512	43.5
69.03429	3.1
69.07081	9.8
71.04994	4.1
79.05503	47.3
80.08231	1.6
81.03423	8.8
81.07064	32.9
83.04990	7.8
83.08624	14.5
91.05489	36.4
93.07053	35.2
95.04975	29.6
95.08620	15.2
97.06531	4.1
97.10181	22.8
99.08092	1.5
103.05497	2.7
105.04534	1.4
105.07040	26.5
107.04957	16.1
107.08607	20.7
109.06529	4.8
109.10145	8.7
111.08092	3.6
115.05470	3.8
117.03336	1.7
117.07043	17.8
119.04956	6.5
119.08605	13.6
121.06506	19.7
121.10144	15.5
123.08096	5.8
125.09635	17.5
128.06236	7.4
129.05499	3.9
129.07028	27.3
131.04932	11.9
131.08582	28.3
133.06525	8.9
133.10152	7.6
135.04433	3.1
135.08084	6.2
135.11702	2.9
137.09650	1.8
141.07011	10.3
142.07771	2.7
143.08582	13.5
145.02850	3.9
145.06502	21.8
145.10149	13.4
147.04451	7.0
147.08066	8.7
147.11714	3.6
149.05963	1.7
149.09659	21.3
153.09100	2.4
154.07758	3.3
155.08577	9.1
156.09380	1.7
157.06537	3.0
157.10088	7.2
159.08110	7.5
159.11725	10.2
161.09669	4.8
161.13295	3.8
163.11218	4.2
165.06917	1.8
167.08548	2.7
169.10117	11.5
171.08076	4.5
171.10251	2.4
171.11685	17.5
173.09570	6.9
173.13345	1.5
175.11308	2.3
177.05528	4.8
177.12711	1.8
179.08607	1.8
181.10185	5.0
183.08035	3.6
183.11713	6.1
183.40765	1.3
185.09650	4.8
185.13303	4.9
187.11150	8.5
189.09171	3.8
189.11197	8.9
189.12785	14.1
193.12349	2.8
195.11717	2.9
197.09621	5.6
197.13335	2.7
199.11188	3.1
201.12740	3.1
203.14345	2.4
205.12245	7.4
209.13361	2.3
211.11212	6.0
213.12758	4.3
215.10706	3.5
215.14331	2.7
223.11424	1.5
223.13338	6.2
225.12814	3.8
227.12746	5.1
227.14677	1.6
229.12303	4.0
231.13843	2.6
239.02280	3.0
239.14218	1.6
243.13808	5.1
245.13768	1.5
247.13406	2.2
249.14969	2.4
257.15472	4.0
267.15939	2.6
271.05820	2.3
273.14984	3.4
295.20593	3.3
297.17316	1.2
305.19034	2.2
313.21597	7.8
323.20056	24.1
331.22717	2.6
341.21155	100.0
342.21634	2.0
349.20648	1.7
351.01251	1.7
359.22229	8.8
377.23080	2.5
397.23877	3.1
415.24808	33.9
427.17145	1.3
433.25928	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25500	1.0
51.02379	1.2
52.09949	1.2
53.03946	5.2
55.01879	11.6
55.05262	1.8
55.05518	30.2
56.96561	1.7
57.03446	8.0
57.07062	1.6
65.03944	3.5
67.05175	2.1
67.05513	39.3
69.03441	7.4
69.06726	1.3
69.07072	13.8
71.04990	4.3
77.03939	1.8
79.05502	50.6
81.03417	10.6
81.07064	34.4
83.04994	7.3
83.08627	15.6
84.04521	1.5
85.02912	3.4
85.06544	1.5
91.05492	46.9
93.07061	35.0
95.04982	33.0
95.08624	18.9
97.02880	2.1
97.06547	20.6
97.10178	21.3
99.04505	1.6
103.05482	3.6
105.03406	2.6
105.04522	1.4
105.07042	32.9
107.04979	16.0
107.08607	24.0
109.02912	2.6
109.06554	6.8
109.10147	10.2
111.04468	1.4
111.08081	2.3
115.05463	4.6
117.07027	18.2
119.04951	3.9
119.08599	13.2
121.06525	17.1
121.10152	17.9
123.04409	1.5
123.08094	7.4
123.11750	2.0
125.09638	17.0
126.89108	1.2
127.03949	1.9
128.06247	6.0
129.05536	2.8
129.07027	24.5
129.07928	2.6
131.04938	13.6
131.08583	29.0
133.06497	10.6
133.10147	9.3
135.04442	4.5
135.08084	10.3
135.11702	4.7
137.06004	1.6
137.09650	2.8
141.06987	11.8
142.07791	2.7
143.08577	15.3
144.05730	1.9
145.02902	1.8
145.06512	22.4
145.10141	13.0
147.04419	2.4
147.08063	8.4
147.11694	4.3
149.09642	22.1
151.07542	2.2
151.11218	1.4
153.06950	2.6
153.09172	2.5
154.07770	3.3
155.06111	1.5
155.08589	10.1
156.09305	1.3
157.06516	4.6
157.10147	6.2
159.08046	7.4
159.11687	8.5
161.06046	1.9
161.09630	4.8
161.13257	3.5
163.03964	9.6
163.11177	4.3
165.06960	2.6
167.08589	4.2
169.06348	1.4
169.10132	13.0
171.08029	4.6
171.10254	2.5
171.11685	16.3
173.02354	3.8
173.09657	8.0
173.13272	3.5
175.11195	2.1
177.12794	2.7
179.08617	3.3
180.59219	1.3
181.10146	2.5
183.08105	2.7
183.11682	6.0
185.09648	5.2
185.13257	4.6
187.11240	9.6
189.09166	3.2
189.11237	9.0
189.12796	13.5
191.03421	1.7
193.10202	3.1
193.12114	2.9
195.11746	2.8
197.09647	3.2
197.13286	3.1
199.11238	4.9
199.14833	1.8
201.09410	1.2
201.12785	3.0
203.10643	3.1
203.14253	1.7
205.12282	8.1
207.11821	2.6
207.13829	1.5
209.09718	1.6
209.13364	1.8
211.11150	5.9
211.14789	2.9
212.12036	1.7
213.12738	3.7
215.06973	7.0
215.10641	2.4
215.14401	1.6
219.13919	1.6
221.13396	1.8
223.13246	5.6
225.12921	5.7
227.12648	5.8
229.12273	5.6
231.13759	1.5
239.14326	1.7
243.13849	3.9
247.13478	1.8
249.14944	2.2
257.15411	3.6
259.09726	7.9
267.15982	4.3
271.06039	10.3
273.14954	3.4
277.19641	1.7
295.20648	4.1
305.19147	3.9
313.18384	1.5
313.21701	5.5
321.16858	1.4
323.20087	23.7
335.18460	1.8
341.21167	100.0
342.21548	4.3
359.22153	7.7
379.22791	2.3
397.23718	2.9
415.24869	32.8
433.09048	3.1
433.14758	13.5
433.25906	64.9
434.26303	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.05263	2.7
55.05518	32.7
57.07036	2.1
59.05008	69.3
67.05504	16.3
69.03425	2.2
69.07063	8.9
69.23289	22.8
71.04997	3.6
75.04485	2.9
79.05499	16.1
81.07047	13.4
83.05013	4.2
85.06551	100.0
91.05493	45.2
93.07048	35.1
95.04980	4.6
95.08614	19.3
97.06499	2.2
99.08102	3.9
101.05943	2.2
103.05511	3.5
105.07049	42.8
107.08596	23.3
108.44379	2.5
109.06510	9.3
109.10168	20.2
111.08094	10.1
113.00043	18.7
115.05458	7.6
117.07056	16.7
119.08587	64.0
121.06564	3.1
121.10154	28.1
122.07288	5.7
123.08106	11.2
123.11701	2.3
125.09640	27.4
128.06227	7.5
129.07027	9.2
130.07805	6.2
131.08580	23.5
133.10152	19.5
135.08107	4.9
135.11678	8.9
137.09644	24.1
141.07025	3.5
142.07747	15.1
143.08566	21.9
144.09378	4.6
145.10136	26.8
147.08041	7.0
147.11649	10.4
149.09630	12.8
151.11201	26.5
155.08551	11.2
156.09373	9.1
157.10152	29.0
158.10890	3.0
159.08144	2.8
159.11703	13.8
161.09593	2.6
161.13278	3.3
163.11168	5.6
165.07074	3.8
166.07817	3.3
167.08617	7.7
168.09325	6.0
169.02623	14.9
169.10114	13.4
170.10820	3.2
171.11713	20.9
173.09587	4.5
173.13278	8.1
175.11192	4.6
175.14810	3.9
177.12772	3.0
179.08591	7.9
180.09418	3.4
181.10170	8.3
182.10892	4.5
183.11685	19.2
185.13275	10.2
187.11148	3.4
187.14842	5.4
189.12764	8.1
191.14413	3.0
193.10202	8.5
194.10962	5.1
195.11748	10.5
195.13255	2.3
196.12497	3.6
197.13286	9.7
201.12843	3.5
203.14330	6.9
206.10954	7.2
207.11728	4.2
209.13293	13.3
211.14816	6.8
213.12791	3.7
215.14310	5.9
219.11853	2.9
220.12605	3.2
221.13284	8.3
223.14775	8.6
225.16434	4.9
235.14853	6.9
237.16333	2.8
247.14879	2.4
249.83049	2.4
251.17964	2.2
263.17773	2.6
265.19617	4.6
275.20212	2.9
354.25540	3.5
366.49643	2.1
433.30939	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	433.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32893	1.7
53.03950	6.2
55.05521	36.3
57.07073	2.1
59.05013	66.1
67.05510	18.5
69.03405	3.3
69.07061	7.9
71.04995	3.0
71.22247	3.4
73.06565	1.8
79.05496	15.3
81.07067	19.8
83.04992	3.9
83.08594	2.3
85.06554	100.0
91.05490	45.8
93.07056	35.2
95.04979	8.2
95.08625	23.3
97.06555	3.7
99.08118	3.4
101.06046	2.3
103.05463	4.2
105.04514	2.4
105.06384	3.5
105.07051	47.6
107.04976	1.9
107.08611	21.1
109.06542	11.3
109.10158	18.6
111.08094	11.3
113.00020	4.7
115.05490	5.9
117.07029	17.4
119.08597	71.9
121.06555	2.9
121.10165	28.2
122.07288	4.9
123.08112	9.8
123.71091	1.7
125.09645	27.2
128.06224	7.4
129.07030	9.6
130.07811	6.2
131.02206	1.8
131.08601	24.8
133.10146	20.7
135.08090	8.5
135.11711	12.8
137.09634	24.3
141.07007	4.0
141.09256	1.7
142.07811	16.0
142.19562	1.6
143.08591	26.0
144.09332	4.0
145.06546	2.0
145.10141	32.3
147.08028	4.7
147.11739	8.8
149.09653	9.6
150.10515	2.1
151.11208	31.0
153.07014	2.3
154.07780	2.1
155.08528	10.7
156.09407	10.3
157.10144	31.3
158.10924	2.5
159.08141	2.3
159.11697	13.1
160.08914	1.9
161.09630	3.9
161.13277	5.3
163.11211	8.1
165.07016	5.8
166.07729	3.2
167.08546	6.3
168.09427	4.3
169.02606	5.7
169.10156	11.7
170.10910	3.8
171.11714	17.4
173.09592	3.2
173.13319	6.9
175.11194	6.1
175.14899	4.6
177.12782	2.8
179.08580	6.9
181.10138	7.6
182.10915	4.8
183.11707	15.8
184.12611	1.8
185.09657	2.3
185.13348	10.3
185.39040	1.9
187.11211	3.6
187.14854	2.8
189.12753	6.0
191.14246	2.3
193.10139	5.4
194.10905	6.0
195.11734	13.3
196.12450	2.7
197.13364	8.4
199.11253	2.6
199.14897	4.4
201.12910	2.0
203.14357	8.7
205.10202	2.7
206.10843	5.2
207.11714	10.0
208.12508	2.4
209.13335	14.2
211.14799	5.4
213.12785	3.0
215.14359	6.5
217.16008	3.0
219.11758	2.8
220.12450	4.1
221.13310	5.6
223.14894	6.4
225.16408	3.7
227.14333	2.2
230.24786	3.4
233.13040	2.1
235.14839	4.4
235.17003	2.5
237.16461	4.2
241.15799	1.9
247.14986	3.6
249.16342	3.8
261.16461	3.5
263.17960	3.3
265.19501	3.8
291.21167	2.5
338.33041	1.9
341.24524	2.2
354.25626	4.8
383.27087	2.0
433.31580	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	434.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01881	0.6
56.96574	1.3
57.03440	1.7
61.02928	2.0
64.38315	0.4
64.39119	0.4
65.03947	2.9
65.09570	0.4
69.03437	8.7
69.22919	1.5
69.23340	2.5
70.06602	1.4
71.01353	0.6
71.05007	0.6
72.08163	0.5
73.02917	1.5
75.02938	0.4
80.05012	0.4
81.03419	2.9
84.00530	0.4
84.04507	0.5
84.08154	0.7
85.02911	18.5
86.09731	0.5
87.04475	1.1
91.03986	0.7
92.05012	38.2
93.05799	3.9
94.06570	6.2
97.02899	7.0
98.97601	1.4
99.04473	1.6
101.02388	0.7
103.03954	0.4
106.06522	0.5
109.02889	1.8
109.04029	0.4
110.06051	100.0
113.00869	0.5
115.03980	0.4
116.07047	0.6
116.98599	0.5
119.01938	0.6
126.06653	7.6
127.03908	3.8
129.10237	0.5
131.38144	0.4
143.00165	0.4
143.01921	0.6
145.04979	3.0
152.07047	2.5
155.01945	0.7
161.03052	0.5
162.05093	0.5
171.05685	0.5
173.03014	0.5
177.04851	0.4
180.06120	0.8
184.04628	0.7
186.05342	0.5
188.07718	1.0
201.01051	0.5
205.05083	0.7
206.08667	0.5
214.05768	0.6
219.01843	0.6
235.06207	1.6
237.02866	0.5
241.19254	0.4
245.05052	1.5
246.08182	1.3
254.10220	3.1
259.06332	0.7
264.07745	0.7
272.11304	74.1
273.11652	1.5
276.07388	0.6
287.37643	0.4
354.76300	0.4
359.06012	0.5
384.44763	0.4
425.22742	0.4
434.16605	12.8
434.59775	0.6
435.07416	0.6
435.16516	0.7
452.08237	1.0
457.38358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43694	2.7
53.03944	8.5
55.01875	9.4
55.05518	9.1
57.03433	4.2
59.93708	2.9
61.02941	6.5
62.04714	3.2
62.99387	3.2
65.03932	4.7
67.05500	15.5
68.99780	3.7
69.03441	20.0
69.07068	4.1
69.65218	14.0
69.65635	6.7
70.06629	4.0
71.05011	3.7
73.02921	3.8
79.05502	30.8
81.03433	21.9
81.07052	26.5
83.01355	3.6
85.02914	43.3
87.00838	18.8
91.05488	64.3
93.07047	42.1
95.04992	9.4
95.08627	12.1
96.87338	3.0
97.02925	19.8
98.97589	16.3
99.04456	7.1
99.97853	3.3
103.03985	3.8
103.05441	3.8
105.01855	16.0
105.07041	100.0
107.08619	15.0
109.02853	16.8
109.10143	4.1
123.11755	5.5
127.03947	33.8
129.01842	3.4
131.08572	8.3
133.10147	66.6
145.04976	16.4
157.10004	3.3
159.02890	10.7
165.01889	4.0
181.04973	5.1
185.04811	3.2
193.13847	3.1
195.02916	7.7
209.08270	3.2
217.04869	3.5
223.42334	3.1
223.57941	2.8
225.07986	6.3
231.05075	6.4
231.93144	2.9
271.06076	5.1
272.06363	11.9
292.08951	5.5
294.62048	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	434.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02274	4.8
54.13304	5.2
55.05523	25.1
57.07075	6.6
59.04737	7.6
59.05004	69.9
60.05977	4.3
63.46006	4.8
66.59022	5.0
67.05513	25.0
69.07064	8.4
71.04987	6.0
71.55575	8.6
79.05495	21.7
80.87985	4.7
81.07069	28.5
83.04984	7.7
83.08617	5.9
85.06548	83.3
86.06901	6.6
91.05481	55.1
93.07050	48.8
95.04973	10.5
95.08619	36.0
99.08087	6.4
100.78782	4.9
105.07038	63.8
107.08617	42.7
109.06513	22.1
109.10158	19.2
111.08080	9.1
113.00048	14.1
117.07048	30.3
119.07802	7.9
119.08587	100.0
121.10167	29.4
121.95235	5.1
122.10401	4.9
123.08082	33.6
123.11715	8.5
125.09662	27.6
128.06230	9.2
129.07002	18.4
130.07748	6.5
131.08588	47.9
133.10123	37.1
135.08066	25.6
135.11703	9.4
137.09605	18.6
138.10378	19.1
141.06963	10.5
142.07831	17.6
143.08575	45.8
144.09392	10.9
145.10129	52.1
147.08069	11.9
147.11688	15.8
148.12045	6.8
149.09648	26.0
151.11179	29.0
153.07031	11.0
155.08557	24.4
156.09352	20.8
157.10144	52.0
158.10861	7.0
159.08130	4.5
159.11702	25.0
161.09644	10.0
161.13257	6.2
163.11183	11.0
165.07074	8.0
167.08505	8.6
168.09370	9.9
169.02611	14.3
169.10136	32.4
170.10939	12.4
171.11707	30.2
173.13295	22.7
175.11195	12.4
175.14903	16.2
177.12799	13.0
179.08609	15.2
180.09323	9.3
181.10147	21.7
182.10884	7.7
183.11711	45.5
185.13268	26.9
187.14851	10.4
189.12810	16.0
193.10063	9.7
194.10913	11.1
195.11688	26.7
196.12439	8.4
197.13254	21.0
199.14841	9.0
201.12747	14.8
203.14328	13.7
206.11133	5.5
207.11652	10.7
208.12454	6.3
209.13234	22.9
210.13918	6.6
211.14850	12.7
213.12738	5.7
215.14291	14.6
217.15881	11.8
221.13271	14.0
221.15276	9.7
223.14726	12.9
225.16364	8.4
227.14484	7.3
231.17538	6.3
233.13235	6.4
237.16357	6.8
239.17770	5.6
249.16348	6.8
251.17947	5.1
255.17482	11.9
281.18982	5.9
295.20831	9.6
327.23175	12.9
342.25580	97.6
434.31699	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	434.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.05524	19.7
57.07082	8.9
57.97162	3.5
59.05008	54.2
67.05515	19.4
68.92393	4.2
69.07082	10.6
71.55898	6.8
79.05509	20.7
81.07063	22.4
81.07472	3.5
83.08641	5.9
85.06075	4.6
85.06557	74.1
88.34950	3.4
91.05495	45.0
93.07053	43.6
95.04977	7.4
95.08620	24.8
99.08084	5.3
105.07051	63.2
107.08617	39.5
108.47801	4.0
109.06547	22.3
109.10167	16.1
111.08093	8.6
115.05444	5.2
117.07027	25.4
119.08598	83.1
120.09408	5.2
121.10135	19.3
121.64153	4.0
123.08067	36.1
124.08887	5.7
125.09671	32.3
128.06250	9.5
129.07030	17.4
130.07744	5.1
131.08600	39.7
132.09398	6.5
133.10118	32.5
135.08069	15.9
135.11690	9.4
136.08902	4.5
137.09608	11.9
138.10446	18.8
141.07007	7.3
142.07776	20.0
143.08571	34.1
144.09357	7.0
145.10123	46.9
147.08092	9.9
147.11681	15.2
149.09673	25.3
149.13300	7.2
150.10457	8.2
151.07504	5.5
151.11227	21.4
155.08533	17.5
156.09387	18.2
157.10133	46.6
158.10904	8.6
159.11708	31.8
161.09660	8.8
161.13287	7.8
163.11223	10.6
164.11961	5.1
165.07042	6.6
165.12834	5.2
166.07877	5.2
167.08546	11.1
168.09361	12.1
169.10172	24.1
170.10980	6.1
171.11731	29.1
172.12396	4.5
173.13274	23.7
175.11200	13.8
175.14844	15.2
177.12779	15.8
179.08553	5.7
180.09373	5.0
181.10179	21.3
182.10921	6.9
183.11716	36.6
184.12431	6.1
185.09628	5.0
185.13329	13.4
187.11208	6.1
187.14801	8.6
189.12752	9.7
191.14432	4.4
193.10165	9.9
194.10941	9.3
195.11711	16.0
196.12526	7.6
197.13248	14.8
199.11191	5.0
201.12646	10.0
201.16367	4.7
203.14319	16.1
207.11768	7.0
208.12587	4.6
209.13289	16.0
211.14816	17.9
212.15359	4.6
213.12796	4.4
213.52730	3.9
215.14349	11.0
217.15915	6.7
221.13263	9.8
221.15379	11.0
223.14835	9.9
231.17569	7.2
235.14749	4.9
237.16478	7.7
239.18039	5.6
241.15955	5.8
247.14830	5.5
247.17102	6.2
249.16357	6.3
251.17880	4.2
255.17363	5.1
260.99222	4.0
263.20288	5.6
277.19543	9.5
283.20581	5.3
295.20438	6.0
327.23175	12.5
328.23877	5.5
342.25562	100.0
355.22766	5.5
399.59537	5.2
434.20721	10.5
434.31903	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	435.1653
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
52.22556	1.2
53.03949	2.8
55.01870	2.0
56.96553	2.3
65.03954	7.8
67.05518	5.7
69.03419	6.5
69.88203	5.2
70.06590	4.6
72.08169	1.4
78.04697	1.4
79.05509	9.5
81.03430	5.7
81.07044	1.3
82.04208	2.7
84.08123	1.1
85.02911	7.7
86.09728	2.3
91.05471	7.8
93.03378	1.9
93.07065	1.8
95.04977	5.1
97.02874	3.8
97.06543	3.4
98.20826	1.8
98.97600	6.3
99.04447	1.6
103.05490	1.9
105.07034	3.5
106.16947	1.2
107.04967	22.1
108.02084	1.3
109.02854	2.1
110.03667	4.2
111.04443	2.2
115.05468	5.4
117.07014	4.7
119.04984	1.6
121.02883	1.5
121.06507	1.6
123.04456	3.5
124.05214	3.9
125.06016	5.6
127.03937	7.7
129.06979	2.0
131.04935	2.2
131.08604	2.7
133.06502	6.6
134.06825	2.0
135.04453	1.5
137.05966	2.5
138.03116	2.4
141.07010	1.9
142.02634	3.8
144.05699	3.8
145.06502	7.7
147.04434	5.1
147.08076	1.7
152.04695	1.6
153.05508	3.2
155.04935	1.4
155.06032	2.8
157.06462	2.2
158.03661	1.2
158.07414	1.2
159.08104	4.5
161.05975	5.7
163.03931	2.5
167.05632	2.6
167.07051	53.2
171.06538	4.4
172.05208	12.0
173.05969	6.1
175.07576	2.5
177.05421	1.8
177.09085	1.3
181.04976	100.0
182.05367	1.7
183.85670	1.2
187.07552	9.0
189.05484	2.3
189.09087	1.9
190.06310	2.5
191.07143	1.5
191.10567	2.6
195.02934	2.0
195.06395	2.2
200.04683	5.3
201.05533	6.7
205.08580	5.5
206.05772	4.2
209.08041	1.6
212.85374	1.1
215.07065	2.2
217.08640	2.3
218.05775	9.1
219.01692	1.5
219.06435	2.8
219.10162	4.9
221.08098	8.0
231.06526	1.5
233.08104	67.8
243.77173	1.2
245.08081	1.7
246.75092	1.2
251.06880	1.3
251.09192	5.2
256.03894	1.3
263.06879	1.5
263.09180	12.8
265.08264	1.4
277.08856	1.7
279.10309	1.6
307.09674	2.4
309.07147	1.8
331.08023	2.3
332.08463	1.6
339.08627	1.9
339.12314	2.2
355.11798	4.4
367.11789	3.3
371.14978	1.8
381.13297	1.8
384.12036	1.4
387.14511	8.7
399.14346	5.2
417.15479	28.9
435.11819	1.5
435.24664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01878	2.3
55.05520	1.2
57.01505	1.0
58.35271	0.9
65.03950	6.8
67.05506	4.8
69.03416	3.0
71.06359	1.4
78.04699	1.6
79.05522	9.5
81.03407	5.0
81.07056	3.6
82.04202	2.5
85.02925	6.7
89.16811	1.0
91.05492	4.3
92.00952	1.0
93.03383	1.6
93.07032	2.4
95.04962	3.2
95.08618	1.3
97.02884	1.6
97.06521	4.8
104.46519	1.2
105.07050	2.4
107.04972	17.0
107.08611	1.3
108.02062	1.2
109.02880	1.3
110.03643	3.3
111.04440	2.4
115.05457	4.4
116.98417	1.2
117.07006	5.1
118.05769	1.1
119.08572	1.3
121.06548	1.4
121.10115	1.6
123.04417	3.6
124.05241	2.0
125.06004	4.4
127.03939	6.4
128.06218	1.2
129.07007	3.3
131.04980	1.9
131.08565	2.1
133.06487	3.0
137.05898	1.8
138.03094	1.7
141.06973	1.8
142.02617	2.6
144.05711	3.6
145.06496	8.9
147.04443	1.9
147.08051	1.6
149.05983	2.8
152.04680	1.9
153.05472	3.9
153.12665	1.3
157.06549	3.0
159.08035	3.4
160.05298	1.3
161.05971	4.6
163.03915	1.2
167.05623	2.4
167.07062	45.3
169.07481	1.1
171.06523	3.1
172.05220	8.8
173.06004	5.0
174.06746	1.4
175.07491	1.3
181.04976	100.0
187.07535	8.7
189.05460	2.8
190.06242	1.1
191.10565	1.8
193.08565	1.3
195.06543	1.6
197.92702	1.1
200.04680	4.3
201.05473	6.9
203.07007	1.7
205.08699	5.1
206.05728	2.2
207.06483	1.3
207.10129	1.5
217.08659	1.5
218.05734	7.6
219.10184	3.2
221.08141	7.2
231.06610	1.4
233.08104	56.2
235.09711	2.0
245.08189	2.8
249.09053	1.2
251.09145	3.1
263.09280	10.6
264.07736	1.5
277.08704	1.9
291.14587	1.3
293.08179	1.2
307.09586	1.9
309.07654	1.2
323.09045	2.1
339.12155	1.7
346.10645	1.3
355.11765	4.1
367.11774	3.2
381.13467	2.7
387.14508	9.5
399.14337	4.7
417.10114	1.7
417.15500	28.3
435.19656	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	435.165
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03934	7.3
55.01864	6.1
55.05499	5.0
56.36300	1.8
58.08522	1.9
58.15313	2.1
65.03950	10.5
67.05492	7.4
67.22011	2.0
69.03412	5.4
70.10983	2.4
70.11319	8.1
75.04469	6.0
76.93878	2.4
78.04725	3.7
79.05499	10.3
81.03410	3.7
81.07038	3.7
82.04163	4.1
83.37416	2.0
84.60556	2.1
85.02890	8.3
91.05495	18.7
93.03402	15.3
93.07038	8.2
95.04955	8.3
97.06532	8.4
99.58773	2.2
100.11250	8.4
103.05454	7.7
105.07013	3.3
106.04187	36.8
107.04981	13.7
110.03667	2.6
111.04432	5.3
115.05444	6.0
117.06999	4.6
119.04956	4.1
121.06506	41.6
123.04469	3.2
124.05253	3.3
125.06020	12.5
127.03912	4.4
128.06230	2.6
131.04906	4.0
131.08553	3.7
133.06458	3.8
133.10065	4.3
134.03641	7.2
137.05954	9.7
139.07509	2.8
142.02641	3.7
144.05711	3.5
145.06483	9.3
148.05147	4.9
149.05986	57.4
151.07549	3.9
153.05472	7.0
153.09076	15.6
155.07013	5.2
157.63905	2.2
158.35547	2.0
158.37000	2.2
161.05992	3.9
165.05479	2.9
166.06259	2.7
167.07071	41.3
171.06578	4.3
172.05167	8.2
173.05943	3.5
177.05484	30.6
180.07863	2.1
181.04974	100.0
181.08537	26.2
182.15405	5.3
187.07544	7.1
189.05511	3.3
191.06999	4.2
191.10651	2.1
195.06657	3.2
200.04657	3.6
201.05432	6.9
205.08633	3.9
206.05646	2.2
208.07318	8.5
209.08113	76.5
210.14880	5.9
218.05661	5.3
219.10126	5.5
221.08183	5.6
225.07542	3.9
233.08107	46.1
235.09724	2.9
245.08325	2.1
251.09143	3.5
263.09250	11.6
263.17398	2.0
291.14377	6.7
307.09341	2.4
326.28247	2.8
333.15652	2.6
339.12445	2.3
355.11136	3.2
387.14383	7.9
399.14371	4.6
417.15561	19.0
435.19800	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	435.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30319	1.0
51.77901	1.0
53.03938	1.5
56.96564	2.0
65.03954	2.0
67.64895	1.1
69.03430	3.6
70.06586	4.1
70.77803	0.9
71.54766	1.3
72.08161	1.4
79.05501	4.1
81.03418	2.0
81.07067	1.1
84.08147	1.5
84.87119	1.0
85.02914	5.7
86.09706	2.2
90.77420	1.0
90.85921	1.1
91.05472	2.9
95.04950	1.9
95.34285	0.9
97.02881	1.2
98.97594	4.5
103.05444	1.4
105.07015	1.4
107.04963	6.1
109.02876	2.8
110.97567	1.4
115.05456	2.2
116.98611	1.8
117.07021	1.6
119.04919	1.2
120.08115	2.8
123.04445	2.4
125.05972	1.3
127.03921	2.6
127.86421	1.0
128.98560	1.3
131.08600	1.1
133.06479	1.9
137.05963	1.4
144.05745	1.5
145.06500	3.5
147.04413	4.2
147.07994	1.4
149.05879	1.1
155.06015	1.2
157.06525	1.3
159.07961	1.3
161.06010	3.7
167.07043	25.1
167.08400	1.6
172.05182	19.5
173.05963	2.4
175.07579	1.1
177.05463	1.3
181.04970	23.5
182.05197	1.3
185.05986	1.3
187.03941	1.2
187.07600	2.3
189.05458	2.8
200.04700	9.6
201.05469	3.7
205.08598	2.1
218.05721	12.4
219.01846	1.8
221.08124	3.9
233.08095	100.0
234.08423	2.2
235.09708	1.3
243.10150	1.5
263.09180	13.3
292.07312	1.4
309.08337	1.5
315.07852	1.3
346.10434	1.4
355.12036	1.5
367.11703	1.2
387.14374	1.9
391.15668	2.1
399.14410	2.6
417.15607	10.2
435.13168	1.7
435.18301	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	435.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05506	18.8
56.96547	6.2
57.03419	5.0
57.07071	14.0
67.05518	22.6
69.07072	12.1
70.64042	4.1
71.04982	11.4
79.05503	30.2
81.07056	29.1
83.04991	7.0
83.08619	10.1
85.06555	7.7
85.09202	4.4
91.05494	41.1
93.07057	36.8
95.04974	12.0
95.08607	27.7
97.06527	18.7
105.07029	46.4
107.04974	6.2
107.08600	39.3
109.06525	100.0
109.10160	19.1
111.08064	6.5
113.13792	4.2
117.07022	12.9
119.08590	32.4
121.10142	16.9
123.08076	15.6
124.50588	4.1
125.09603	5.5
128.06227	8.5
129.07016	10.7
130.07822	6.2
131.08578	28.8
133.10115	23.9
135.08057	16.6
135.11687	6.1
137.09624	14.1
141.07083	5.1
142.07774	7.4
143.08588	30.3
145.10158	40.6
147.08000	6.9
147.11685	14.4
149.09616	17.8
151.07585	4.9
155.08545	12.9
156.09377	12.6
157.10130	30.1
159.08034	5.4
159.11632	24.0
161.09708	9.2
165.07085	6.1
166.07864	6.2
167.08644	7.3
168.09473	6.7
169.10144	14.1
170.98961	5.4
171.11674	20.9
173.13254	13.0
175.11281	9.6
177.12831	5.4
179.08565	5.5
181.10236	5.6
183.11697	18.7
185.09679	6.2
185.13275	15.2
189.12744	12.8
193.10120	7.9
194.10982	4.6
195.11699	21.2
197.13252	14.9
199.11206	7.1
199.14896	5.6
201.12733	12.5
203.14288	5.4
206.10730	5.3
207.11836	10.6
209.13315	16.1
211.14832	7.0
213.12898	6.0
215.14337	10.3
221.13309	10.7
221.15256	6.1
227.14317	4.7
235.14769	6.5
237.16425	5.8
245.13132	5.6
246.16570	5.2
303.16852	5.7
338.07935	6.0
339.09268	6.2
343.22672	8.8
349.07129	6.9
417.27823	21.6
435.14331	64.2
435.28433	26.2
436.14703	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	436.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04784	0.6
55.05518	0.9
56.96588	0.7
67.01868	0.7
67.05527	1.4
71.54988	0.5
73.58608	0.5
79.05509	0.9
81.07059	1.1
89.01236	0.5
91.05490	1.1
94.06571	1.1
95.05003	0.7
97.06580	1.0
98.21532	1.1
100.68291	0.6
101.74591	0.5
105.07034	0.7
107.08617	0.7
109.10152	0.7
119.08656	0.6
135.04428	2.1
137.02383	0.8
145.02892	0.8
147.04422	1.6
150.05507	1.9
152.07083	0.7
153.01845	7.5
164.84351	0.6
203.03424	0.7
229.04994	4.1
257.04532	3.5
258.05267	34.4
259.05609	0.9
269.04425	1.0
272.13840	0.6
286.04745	81.7
287.05518	100.0
288.05722	2.6
311.05197	0.7
353.06982	1.6
371.08157	1.5
436.10239	22.5
436.15936	1.1
437.10690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03947	1.1
55.01862	0.5
57.03436	0.3
65.03951	2.5
67.05494	1.3
69.03423	1.4
70.06583	0.8
70.66871	0.3
70.67235	0.8
72.08149	0.4
73.86062	0.3
78.03460	3.3
80.05009	0.6
81.03423	3.5
85.02908	1.8
86.09712	0.4
88.97781	0.4
93.03419	1.6
95.04977	0.5
96.04494	0.7
97.02897	1.0
97.06571	0.3
99.04441	0.7
106.02914	11.8
108.02084	2.2
109.02888	2.6
110.03653	0.8
111.04451	2.0
120.08097	0.5
123.04456	0.3
124.03956	22.0
125.05975	1.1
127.03918	1.4
136.01527	0.4
137.99953	0.3
141.05479	1.4
146.89807	0.3
147.64774	0.3
151.03909	100.0
151.04985	6.6
152.04251	1.6
159.07727	0.4
166.05002	0.4
169.04997	0.9
172.81734	0.3
177.05528	0.6
178.58241	0.3
188.07423	0.4
232.06017	0.3
244.06096	0.4
250.07115	5.2
268.08154	6.3
350.12234	0.4
400.10406	1.5
418.11285	2.1
436.12030	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13908	3.0
51.02391	2.8
53.03951	7.0
55.01862	3.3
55.05492	5.9
57.03429	6.0
61.02926	5.7
65.57372	3.8
67.05500	10.9
69.03429	19.9
69.07056	4.2
69.48455	10.9
69.48864	9.3
70.98103	2.6
79.05506	14.9
81.03437	16.2
81.07055	13.1
85.02912	53.5
86.09698	5.5
87.00842	22.0
91.05479	23.4
93.07050	87.4
95.05000	5.3
95.08608	18.7
97.02899	23.8
97.06523	5.3
99.04456	8.8
105.01875	33.8
105.07018	12.5
107.08601	100.0
109.02904	16.9
109.06516	3.3
109.10155	3.3
115.04559	2.9
119.08596	5.4
121.06519	3.7
123.04446	5.4
127.03941	36.1
130.20741	2.8
135.11710	52.7
136.12047	3.1
136.78564	3.0
145.04967	20.5
149.06010	3.6
153.12730	6.7
157.10080	5.1
159.02893	7.5
231.05028	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.8
55.01883	10.6
55.05507	3.0
57.03431	4.3
60.37164	1.9
60.74733	2.4
61.02919	4.8
65.03930	2.6
67.05503	5.2
69.03436	23.2
69.07055	6.6
70.01822	10.8
70.74123	2.3
71.04998	3.5
73.02900	5.7
79.05505	15.8
81.03442	19.9
81.07048	8.8
85.02434	3.7
85.02913	57.0
87.00840	23.3
91.03950	2.5
91.05486	21.2
93.07054	81.8
95.04931	2.9
95.08643	11.9
97.02899	29.5
97.06520	7.6
99.04461	9.6
100.62633	2.5
105.01870	29.5
105.07021	9.8
107.08608	100.0
109.02899	24.1
109.06486	2.6
109.10124	6.5
112.04977	2.3
117.01846	2.7
127.03937	48.1
129.01794	3.1
135.11710	67.3
145.04959	25.8
153.12735	4.4
159.02919	17.2
165.12804	3.1
171.13765	4.2
216.81033	2.1
225.05327	2.3
227.11833	3.8
231.04974	10.5
388.37985	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	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
61.02935	1.6
67.05489	5.8
69.03426	4.2
69.07083	8.6
69.49084	9.4
71.04998	2.3
77.73022	1.2
79.05492	4.6
81.03416	3.3
81.07079	6.4
85.02912	14.2
87.00832	5.6
91.05474	7.5
93.03384	1.2
93.07056	22.4
95.04943	2.1
95.08601	6.0
97.02892	5.8
97.06542	100.0
99.04513	1.6
105.01880	12.7
105.07030	2.3
106.04153	1.4
107.08598	20.5
109.02878	4.5
109.10141	5.2
121.06549	2.1
127.03938	9.5
135.11716	15.7
145.04953	5.1
149.05969	1.5
150.06313	2.1
153.12743	10.1
159.02878	2.8
173.63223	1.2
209.07965	1.3
210.08424	1.7
223.71822	1.5
231.04999	3.8
236.44028	1.3
241.73410	1.4
253.73813	1.4
350.40698	1.4
433.67654	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05505	1.9
56.96564	1.4
65.03939	1.1
67.05501	1.5
69.03443	3.4
69.07069	1.4
70.06601	11.8
70.85622	1.1
70.85932	1.0
71.05001	1.4
72.08154	2.8
73.02934	0.7
73.08945	0.6
79.05491	1.9
80.05003	1.0
81.03439	3.0
81.07064	0.8
84.04516	0.8
84.08137	1.8
85.02915	7.1
86.09721	2.2
87.00821	1.2
91.05476	6.2
93.07050	10.8
95.04955	1.2
95.08622	2.0
96.04510	0.8
96.05212	0.6
97.02919	3.1
98.97591	1.9
99.04458	1.6
105.01878	2.2
105.07023	3.1
106.02931	1.4
107.08601	24.0
108.05283	0.8
109.02886	2.6
109.06529	0.8
111.04575	0.7
112.02216	1.2
112.07605	1.0
116.98595	1.1
117.06967	0.7
119.04902	0.8
119.08567	2.0
120.08108	7.1
124.03957	7.1
127.03942	3.9
130.03204	1.1
133.10075	1.1
135.11702	100.0
136.12062	1.5
137.05980	1.0
137.64354	0.6
145.04941	2.7
147.04451	1.0
151.03902	2.8
152.07069	1.4
158.99702	0.9
163.03969	0.9
167.07030	1.6
167.63260	0.6
181.04987	2.3
182.05365	1.2
182.08177	0.7
197.11627	0.7
233.07977	1.2
234.08385	0.8
274.81711	0.6
305.16040	0.6
418.15561	0.9
437.23288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
55.01868	19.6
55.05515	14.8
56.96574	13.7
57.03437	18.2
61.02935	7.4
65.00804	4.7
66.74828	6.5
67.05505	30.1
68.72046	6.0
69.03442	21.6
69.07073	100.0
70.06584	5.8
70.29334	5.5
71.55898	7.9
79.05493	14.8
81.03429	20.5
81.07072	33.0
83.04997	6.3
83.08616	10.6
84.04504	18.0
85.02908	42.1
87.00846	24.2
90.77925	5.4
91.05496	25.0
93.07059	59.3
95.04977	7.3
95.08616	45.9
97.02896	26.8
97.06544	46.5
98.97612	8.9
105.01881	26.0
105.07053	15.5
105.42721	4.9
107.08611	60.9
109.02905	11.2
109.10164	63.2
109.88293	5.7
116.98623	7.1
119.08603	6.5
121.10142	10.2
123.11709	10.2
127.03937	34.9
127.11209	53.0
130.05023	12.0
133.10150	6.8
135.11742	48.4
137.13232	5.7
145.04974	12.9
148.06079	26.3
153.12784	21.8
159.02957	9.0
163.03918	8.3
167.06902	6.5
171.13785	35.4
181.04967	6.9
201.86932	6.1
230.34079	6.3
273.03699	5.4
286.04630	6.0
287.05688	6.6
289.25684	7.2
307.09402	10.6
331.10651	7.6
378.63815	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	437.1424
Annotation	Nothofagin
Peak:m/z	Relative Intensity
54.41322	0.4
55.05513	0.4
59.68013	0.4
69.03442	0.7
69.61823	2.5
77.61864	0.4
78.22272	0.4
81.03426	0.5
81.07095	0.6
85.02902	0.9
91.05478	1.6
93.07041	0.5
94.07390	0.4
97.02883	0.7
97.06557	0.4
98.03253	0.4
101.00916	0.4
105.01849	0.6
107.08632	0.5
127.03902	0.8
128.04305	0.5
135.11752	0.5
136.12019	0.8
145.04982	0.5
151.03926	0.4
171.13847	0.6
211.09630	0.7
233.06493	0.4
293.09982	2.2
321.30914	0.5
329.08859	0.5
353.10910	0.9
375.14160	8.8
377.12158	3.4
419.13132	1.1
437.14249	100.0
438.14529	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49582	1.3
55.38135	1.2
56.96572	14.6
65.18432	1.3
70.06592	4.2
70.24502	2.4
70.24888	2.4
84.04507	1.6
84.08134	2.1
84.96051	9.8
85.02912	1.9
86.09708	1.7
97.02893	1.8
98.21376	1.8
98.97598	49.8
102.97046	1.1
110.69179	1.3
110.97590	10.6
112.99162	2.4
116.98647	18.4
122.02377	4.3
128.98628	12.1
131.00217	1.4
134.99648	2.7
136.03967	1.5
140.98537	1.8
143.00192	7.4
144.98117	2.0
146.99669	4.7
152.07047	2.4
152.98608	5.8
158.99669	8.9
161.01239	6.7
162.99127	1.3
163.03931	3.6
170.99678	6.4
177.00735	6.4
189.00746	2.5
201.00787	2.7
219.01779	18.9
228.95280	1.2
237.02832	20.2
246.36974	1.4
255.03897	1.5
275.08093	8.3
293.09158	40.5
311.10165	3.9
316.10663	2.3
320.35651	1.7
437.13730	100.0
438.14087	2.4
455.14450	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	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01861	1.5
55.05503	1.2
57.03434	1.9
59.04999	1.1
61.02926	1.4
64.37165	0.8
69.03435	7.4
69.07072	4.8
69.48594	5.2
71.04991	1.5
71.08636	51.2
73.02916	2.4
79.05437	0.8
81.03429	8.2
81.07057	1.3
85.02914	17.6
85.06549	0.7
87.00840	9.3
91.03952	1.2
91.05446	0.8
92.85701	0.7
95.08630	1.0
97.02895	9.0
99.04490	1.9
99.08100	100.0
105.01864	5.9
109.02885	5.8
127.03922	9.1
129.12767	11.1
132.74094	0.7
145.04971	5.4
147.04434	1.4
155.14340	3.7
159.02954	2.9
163.03926	2.2
173.15387	55.7
174.15811	0.8
231.05090	1.4
358.24146	0.7
414.00571	0.7
432.67032	0.9
438.09329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01864	1.6
57.03423	2.3
59.05005	1.3
67.05494	3.2
69.03434	7.3
69.07072	7.5
69.39695	7.0
69.40102	2.4
71.04989	1.7
71.08635	44.4
71.23239	0.9
73.02888	1.2
81.03414	6.6
81.07066	2.9
85.02914	17.3
87.00834	7.9
91.05448	1.2
95.08604	1.3
97.02885	8.6
99.04453	2.2
99.08097	100.0
105.01862	6.2
109.02869	4.4
109.10155	1.8
117.01842	1.4
127.03916	9.9
129.12764	18.8
145.04987	2.6
155.14299	4.3
159.02885	3.0
163.01572	1.2
173.15379	57.6
193.92152	1.3
225.06013	1.1
231.04907	1.8
285.09998	1.5
389.93237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
55.01873	4.4
55.05515	10.2
57.03450	5.6
57.07074	4.1
61.86631	1.0
62.06099	31.3
67.05509	14.2
69.07079	14.5
70.06310	4.9
71.08625	2.9
73.02931	1.4
75.33137	1.1
77.44808	1.3
79.05495	9.9
81.07068	14.3
83.04980	1.8
83.08627	14.8
85.10207	1.6
91.19641	1.0
93.07053	10.1
95.08611	10.4
97.06544	11.0
97.10184	7.1
98.06075	2.6
98.98476	14.2
99.30795	1.2
105.07069	1.3
107.08604	6.8
109.10158	8.4
111.08132	1.7
111.11755	1.3
113.90852	1.1
121.10159	14.3
123.08110	1.3
123.11709	4.3
124.01665	2.5
125.09557	1.4
129.05489	8.9
135.11700	8.3
149.13290	2.1
155.01035	7.0
163.14838	1.5
173.02084	3.1
198.05215	2.5
205.19562	9.0
213.18475	1.2
216.06380	3.4
223.20528	8.8
266.24799	10.3
297.24277	100.0
298.24600	2.7
377.21005	2.8
395.08032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1579
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
54.15838	0.5
56.96571	0.8
60.58831	0.6
69.03427	1.3
70.06594	3.1
70.93011	0.5
71.54790	0.8
72.08153	1.5
78.96236	0.6
81.03425	1.1
81.07041	0.8
83.01144	0.8
83.04972	0.6
84.37439	0.5
85.02894	0.9
86.09705	0.8
95.01089	2.5
96.01895	1.0
98.97564	1.2
99.04474	0.6
100.58213	0.6
109.02873	1.4
112.01283	1.0
113.02135	3.0
113.78059	0.5
120.08115	1.9
121.10165	0.8
127.03933	1.5
135.04387	0.7
136.07632	0.8
137.84016	0.6
163.03935	0.9
167.03116	0.8
185.04234	3.8
191.14459	0.7
201.03780	0.7
202.05968	3.2
220.40582	0.5
237.02695	0.6
243.08522	0.9
246.06509	0.7
250.06908	0.6
259.07935	0.9
277.10718	1.6
421.10019	0.6
439.15802	100.0
440.16245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Phlebotrichin
Peak:m/z	Relative Intensity
53.03933	7.6
55.01852	6.6
55.05513	31.5
57.03432	6.3
57.07061	6.6
59.05007	3.1
65.03949	6.4
67.05500	16.5
68.99791	6.6
69.03428	26.1
69.07061	11.8
70.06582	9.0
71.01340	4.3
71.04976	3.6
71.54638	2.5
73.07767	2.5
77.84430	2.7
79.05505	16.1
81.03422	47.1
81.07071	20.9
81.07494	4.3
83.04982	99.1
83.08613	8.8
85.02906	25.2
85.06577	5.1
86.09712	5.5
87.00820	9.8
91.05489	17.9
93.07058	18.5
95.04971	23.3
95.08604	20.2
97.02892	37.7
97.06516	11.8
99.04459	8.7
105.07028	25.9
107.04945	9.6
107.08606	29.4
109.02881	30.9
109.06525	27.8
109.10178	16.6
111.03706	5.8
111.04446	100.0
111.08060	13.7
112.04741	3.1
117.07034	7.0
119.08564	19.5
121.02902	4.0
121.06504	8.8
121.10129	27.2
122.07327	3.4
123.04395	4.6
123.08077	60.0
123.11711	9.7
125.05996	3.9
125.09618	8.9
127.03926	31.6
129.01878	3.6
129.07053	3.5
131.08588	14.7
132.04796	5.2
133.06453	4.1
133.10130	26.1
135.08102	13.0
135.11673	7.5
137.09622	7.1
143.08565	5.0
145.10118	13.1
147.08058	11.1
147.11667	10.7
149.05936	5.2
149.09634	9.2
149.13252	10.1
151.07547	88.6
153.09084	9.6
156.09348	3.4
157.10066	6.6
158.10864	5.3
159.08032	6.6
159.11696	6.2
161.09590	5.0
161.13245	5.4
163.07513	4.3
163.11157	25.6
163.14833	6.7
165.12697	4.3
167.07085	3.1
171.10216	3.1
171.11662	4.0
173.05995	3.6
173.13277	21.2
175.07574	3.2
175.11292	3.2
175.14818	9.0
183.14941	3.5
187.11160	2.8
189.09135	3.8
189.12752	14.7
191.14319	61.9
197.04497	15.2
207.13779	38.5
209.15375	11.0
209.47867	2.6
213.03979	3.4
215.06990	5.5
217.08537	3.3
219.13907	3.4
225.14877	7.8
229.98795	3.0
233.15285	3.1
257.15286	3.4
273.14920	5.2
281.65088	3.1
299.16394	5.1
335.18570	4.6
403.17279	4.4
421.18503	9.9
439.19742	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01865	4.4
55.05512	6.3
57.03431	3.2
57.07072	4.3
61.02913	1.1
67.05501	7.1
68.99789	2.2
69.03427	17.0
69.07067	9.6
70.06591	2.1
71.05003	2.9
71.54753	2.0
79.05488	7.3
81.03413	16.3
81.07056	10.7
83.04981	13.7
83.08615	3.3
85.02911	13.5
85.06541	2.2
87.00840	8.6
91.05493	9.4
93.07060	12.7
95.04961	3.6
95.08598	11.0
95.12257	1.1
97.02898	10.5
97.06540	4.0
97.10126	1.5
98.86174	1.0
99.04461	3.1
99.08084	1.9
103.03930	2.0
103.05377	1.3
103.60532	1.3
105.01872	3.4
105.07033	11.9
107.04986	2.2
107.08601	24.0
109.02892	18.4
109.06554	7.9
109.10167	7.1
111.04420	9.7
111.08084	2.1
115.05475	1.3
116.06189	1.3
117.06989	2.9
119.08582	21.6
121.06502	7.0
121.10136	20.4
123.08077	7.8
123.11713	2.9
125.09627	1.3
127.03915	15.4
129.01842	2.0
129.06982	2.9
131.08565	15.8
133.06532	2.3
133.10136	18.8
135.08055	14.8
135.11716	9.3
137.05992	1.8
137.09625	8.7
137.13170	2.0
143.08562	4.7
144.09296	1.6
145.04912	1.9
145.06488	2.0
145.10143	9.1
147.08069	1.5
147.11687	15.4
149.09621	10.9
149.13260	12.7
151.07581	5.7
155.14273	5.4
157.10126	2.7
158.10896	4.5
159.07970	1.6
159.11662	2.6
161.09654	3.7
161.13280	3.1
163.07593	2.2
163.11188	3.2
163.14835	6.8
171.11697	1.7
173.13278	21.9
175.14836	13.0
177.12849	1.5
187.11258	2.3
189.09106	1.7
189.12778	6.4
191.14316	100.0
192.14714	2.3
201.12708	2.0
203.14278	2.7
207.13773	3.3
209.15489	2.5
213.03995	2.4
213.12767	1.3
215.07004	4.8
215.14467	2.6
231.05045	2.3
233.15393	1.9
237.02928	1.5
245.15225	1.3
251.10550	2.8
253.81981	1.2
275.16501	3.9
281.15363	2.9
299.16327	2.6
335.18665	1.7
335.22531	1.3
353.19717	3.1
403.17258	1.7
421.18524	4.3
439.19659	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	439.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39563	0.7
53.03947	2.1
55.05515	3.2
57.03435	1.0
61.02915	0.9
67.05501	4.0
69.03436	5.5
69.07065	3.2
69.40235	5.1
72.08186	0.7
78.83183	0.7
79.05495	7.0
79.10643	0.9
81.03417	3.4
81.07059	6.3
83.04980	3.1
83.08633	1.6
84.00359	0.7
84.04502	1.3
85.02913	5.2
87.00848	1.4
91.05490	7.9
93.07043	6.3
95.04977	4.6
95.08608	3.1
97.02886	2.8
97.06544	2.1
99.04465	1.3
103.05459	1.2
105.01875	1.0
105.07040	10.9
107.04960	4.3
107.08611	17.8
109.02862	1.6
109.06523	3.1
109.10163	7.4
111.04483	0.8
111.08060	0.9
115.05457	1.7
117.07016	2.0
118.07848	0.7
119.08591	6.4
121.06528	2.5
121.10157	12.2
122.07320	5.2
123.08113	1.9
123.11642	0.9
127.03938	4.3
129.07031	1.1
131.08572	2.7
133.10146	100.0
134.10460	1.7
135.08092	6.8
135.11682	1.6
137.06030	1.1
137.09631	51.8
143.08635	1.1
145.04932	0.8
145.10121	2.8
147.08058	1.0
147.11671	3.5
149.09636	6.1
149.13277	7.7
158.10904	1.0
159.11792	1.5
161.13300	1.1
163.14903	1.7
170.15294	0.8
170.58353	0.7
171.11678	0.7
173.13277	6.7
175.11195	0.8
189.12807	1.4
191.14330	39.5
191.35432	0.7
192.14667	1.4
198.14983	0.9
201.12720	1.1
203.14383	1.3
214.39325	0.8
215.14354	0.8
233.15302	1.5
245.15425	1.4
255.17545	0.8
257.15369	0.8
285.93103	0.8
299.16434	1.0
335.18692	0.9
353.19904	0.9
391.00638	0.8
403.17810	0.8
409.14828	2.5
439.14612	1.3
439.19760	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11658	0.9
53.03941	2.4
55.01871	2.3
55.05268	1.1
55.05517	15.1
56.96568	2.5
57.03431	5.9
57.07079	1.3
59.04993	5.7
62.59187	1.1
65.03937	2.5
67.05512	100.0
68.05827	1.0
69.02365	0.9
69.03427	3.2
69.07070	4.5
71.05004	7.4
73.02938	1.3
76.17733	1.0
79.05501	15.3
81.03427	32.2
81.07066	27.1
83.04999	8.1
83.08628	15.5
83.45879	1.1
85.02912	19.2
85.06550	3.1
91.05494	25.2
93.07049	12.2
95.04981	13.0
95.08621	10.8
97.02900	3.2
97.06551	2.8
97.10194	2.9
98.20702	1.9
102.94685	1.0
105.07035	10.8
107.04980	3.8
107.08616	6.1
109.06523	2.5
109.10169	69.8
111.04478	1.5
111.08077	7.4
113.06011	2.2
115.23312	1.0
115.61041	0.9
119.04986	1.1
119.08588	15.5
121.10149	5.9
123.08086	2.3
123.11767	2.3
129.07034	4.5
131.08560	6.7
133.06511	1.6
133.10127	5.3
135.11720	1.3
137.09625	3.9
142.07822	1.8
147.04382	1.7
147.07961	1.4
147.11676	6.6
149.09639	4.1
149.26468	1.0
153.01874	1.1
155.10660	5.4
157.10146	6.8
165.12776	1.3
173.11757	18.4
175.11217	9.5
193.12263	37.3
211.13321	34.9
211.15294	2.2
212.13689	1.1
218.37196	1.0
229.14415	3.0
229.28548	1.2
242.05754	6.4
255.09108	1.8
257.04413	1.7
267.09073	2.6
267.15814	2.5
269.04572	2.4
285.03998	5.0
285.10251	2.2
287.05597	3.7
309.07730	2.2
309.11029	2.9
311.05792	1.2
333.07794	1.3
378.07297	2.7
381.06064	3.7
409.05432	1.9
423.07275	2.2
424.07758	1.4
439.10266	31.8
439.17212	2.8
439.26926	71.7
440.27267	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	440.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32413	1.2
55.68988	1.2
56.51475	1.2
56.83946	1.3
57.53375	1.2
58.19497	1.3
58.70084	1.1
58.99583	6.0
64.40222	1.2
69.89259	1.6
69.89562	7.2
70.06599	2.5
76.02245	8.5
86.99055	1.5
94.15858	1.3
100.02188	8.8
122.06055	1.4
136.07576	2.7
138.05560	1.8
146.02689	6.7
158.09619	1.7
164.07030	1.2
168.08069	1.8
170.09651	2.0
172.07590	2.9
175.08673	5.1
186.09181	3.0
188.03796	3.7
189.02188	1.4
189.10237	2.9
196.04237	1.4
196.07550	3.6
198.09250	7.2
200.07108	1.9
211.08682	1.3
212.09232	2.1
212.10995	1.7
213.10219	10.7
214.08650	4.9
215.11809	4.2
217.09726	7.8
226.07095	2.2
227.08240	1.7
227.11807	1.8
231.11328	2.2
235.10750	7.8
240.08957	5.0
241.09738	36.7
242.04834	1.8
242.08186	4.2
243.09175	1.6
243.11346	21.2
251.64781	1.4
254.10495	3.3
255.11330	6.0
256.09598	1.9
258.12366	14.2
259.10800	33.3
260.09100	2.9
271.13254	1.6
277.11804	1.5
283.10748	9.5
285.12323	14.4
286.09457	3.6
299.08386	3.7
301.11832	36.4
302.10135	3.4
303.13321	6.8
317.10007	1.1
317.13657	26.7
318.12680	5.8
319.12976	7.8
344.15958	2.0
360.13687	2.0
362.11688	10.4
363.10092	5.1
404.12744	25.4
405.11215	11.6
422.13843	100.0
423.12177	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	440.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54200	0.5
55.05515	1.7
57.03448	3.9
57.07084	19.5
58.62518	0.6
59.05007	0.7
62.06099	22.8
67.05517	4.2
69.07073	4.4
70.08466	1.3
70.08858	1.2
71.08643	13.3
72.08161	0.8
81.07071	6.4
83.08635	3.2
85.10191	7.3
89.06061	0.6
93.07079	0.7
95.08619	7.0
97.10171	1.2
98.20904	0.6
98.98478	5.2
103.07592	0.7
105.07068	0.5
107.08589	0.5
109.10154	3.1
121.10200	0.6
123.11717	1.9
124.01613	1.5
125.13344	0.5
155.01047	5.7
173.02115	0.6
198.05289	1.3
198.64680	0.6
199.67953	0.5
216.06342	3.3
225.22151	1.8
260.93875	0.6
268.26398	8.7
299.25839	100.0
300.26178	1.3
324.43350	0.6
366.28925	0.6
379.22479	6.1
422.26669	1.5
440.27563	0.9
440.37088	3.3
464.67358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	1.5
56.96562	13.2
61.51861	1.2
70.21839	2.8
70.22234	2.1
71.95240	1.6
78.03407	1.0
84.96046	8.2
98.97585	100.0
99.97910	1.3
110.97569	37.1
116.98618	24.0
117.81998	1.3
124.99083	3.4
127.00704	1.4
128.98618	18.3
130.10091	1.1
131.00217	1.3
133.46259	1.2
134.99655	4.2
140.98590	11.4
143.00166	13.8
146.99643	4.3
150.73740	1.2
151.75844	1.3
152.98579	7.9
158.99666	37.1
161.01237	6.3
170.99657	25.9
177.00706	18.5
182.99667	24.1
189.00729	19.3
201.00710	49.2
207.01772	4.0
213.00679	6.4
218.99783	2.3
219.01775	33.4
231.01755	5.1
237.02812	12.8
243.01773	20.8
261.02823	88.3
262.03149	2.2
273.02777	11.6
279.03882	44.2
291.03848	15.8
297.04947	2.3
321.04929	34.9
333.04904	5.5
351.05981	4.9
381.07007	3.9
405.61557	1.4
441.09216	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	441.1403
Annotation	Tetrahydroswertianolin
Peak:m/z	Relative Intensity
53.03961	3.1
55.01868	2.9
55.05495	3.3
56.91437	1.8
56.96565	6.6
57.03431	5.6
68.99751	2.0
69.03435	3.6
70.06599	20.1
71.55247	3.4
72.08173	3.2
79.05500	2.6
81.03423	4.2
84.08131	4.1
85.02914	30.6
86.09717	6.3
91.05479	5.8
93.07069	2.4
97.02883	5.0
98.97586	20.3
99.04483	10.3
102.04849	2.1
103.03956	17.1
103.05447	4.9
109.02883	14.8
110.78534	1.9
110.97549	4.7
111.04442	6.9
116.07114	5.1
116.98633	8.4
117.07020	3.7
119.04946	7.0
121.06516	8.1
123.04391	4.7
127.03943	21.9
128.98636	6.6
133.06470	3.5
135.04448	2.3
143.00163	2.1
145.04977	26.3
145.06476	5.2
147.04440	24.5
149.05946	5.7
153.05525	2.7
154.02608	6.6
158.99707	7.1
163.03918	4.5
164.04668	6.7
169.04970	14.7
170.05753	4.8
170.99652	3.2
172.05180	3.4
173.05966	6.1
174.03128	2.2
177.00844	5.0
177.05511	15.5
183.06561	9.9
187.04044	3.3
187.05937	2.7
189.00774	2.8
190.06255	3.1
192.04190	6.4
193.04955	3.3
195.06508	2.4
200.04715	5.3
201.00717	7.6
201.05464	6.4
203.03435	5.2
205.04935	5.2
207.06537	28.7
209.04485	2.8
209.08115	4.1
218.05794	4.1
219.01747	5.6
219.06425	4.4
221.08035	3.2
229.04929	8.0
231.02782	2.9
233.08070	17.1
235.05949	11.5
237.02832	2.3
237.07620	16.9
243.01886	3.5
247.06088	4.9
261.03082	10.9
261.07608	41.0
264.06235	5.0
279.03793	5.6
279.08670	100.0
291.03970	3.3
297.09744	15.2
309.07654	2.8
321.05167	7.0
425.53580	2.2
441.09073	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	441.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32965	0.8
56.11867	0.7
62.39901	0.7
67.05534	1.1
69.39124	1.7
69.39529	5.1
70.06604	1.5
79.05509	1.2
83.06097	0.8
84.04515	1.0
86.09708	1.8
93.07058	1.9
95.08617	1.6
98.97618	1.5
101.00893	1.8
107.08564	0.8
119.01920	2.0
120.08098	1.9
127.00051	2.1
143.01886	2.0
161.02956	1.4
177.90540	0.7
187.00897	1.2
193.12035	5.2
201.03738	1.3
219.31393	0.8
227.05292	0.8
243.04773	8.3
245.06308	5.8
271.04303	3.4
287.03769	50.0
289.05328	47.2
337.16205	1.7
355.17282	2.2
397.18344	14.9
410.30188	0.9
423.16187	1.3
441.17380	100.0
442.17636	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	441.1733
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
69.31741	6.5
79.05485	1.2
86.09709	0.9
93.07048	2.4
100.64471	0.8
101.00867	1.4
101.08228	0.7
102.15768	0.8
102.16582	0.8
107.08586	2.1
119.01936	1.6
123.88082	0.7
157.03532	1.1
193.12044	2.2
203.03958	0.8
219.01794	0.7
235.11772	1.2
243.04909	1.3
245.06424	1.6
271.04111	0.9
285.03839	1.9
287.03638	4.3
289.05313	6.2
314.12601	0.8
349.11215	1.1
355.17337	6.3
363.07117	1.4
379.17221	2.8
397.18372	39.1
423.16226	11.5
441.17368	100.0
442.17657	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
54.28220	1.1
55.01873	3.2
55.05502	4.9
57.03442	2.7
57.07082	2.1
59.73655	1.3
61.02903	2.2
62.52904	1.0
67.05514	7.6
68.99767	2.2
69.03432	11.9
69.07070	12.3
69.39361	10.2
71.01353	1.5
71.04984	1.3
79.05485	4.7
81.03411	5.3
81.07060	8.9
83.04961	1.5
83.08620	4.0
85.02907	20.2
85.06542	3.9
87.00833	9.3
91.05474	7.1
93.07043	11.5
95.04961	2.4
95.08602	20.8
97.02894	14.6
97.06563	2.5
97.10161	1.3
98.97587	1.8
99.04446	3.4
102.68292	1.2
105.01875	8.0
105.07034	13.6
107.08601	25.0
109.02865	7.2
109.06534	1.4
109.10168	12.1
111.08086	5.1
115.03921	2.5
117.07083	1.5
119.08586	46.2
121.06459	1.4
121.10148	29.2
123.11692	1.8
125.02358	5.8
127.03927	12.7
131.08571	4.7
133.10135	35.4
134.10754	1.6
135.08081	2.4
135.11656	7.8
139.11134	1.3
143.03404	3.2
143.08586	1.3
145.04982	4.8
145.10156	10.3
147.11702	11.6
149.09726	1.6
149.13258	4.3
157.10103	1.2
159.02922	4.1
159.11700	5.4
161.13260	9.5
165.09108	1.8
173.13281	3.4
175.14830	100.0
177.16394	36.3
187.14812	9.7
189.03952	1.7
189.16408	1.9
193.15894	11.7
198.48531	1.4
201.75818	1.4
205.15877	24.7
231.04971	5.5
241.16127	1.5
247.04533	1.9
249.05954	1.6
265.02585	1.3
277.17896	1.5
283.16907	4.8
301.17926	2.3
387.18216	2.0
396.72540	1.5
397.18314	2.6
405.18997	4.9
421.81802	1.4
423.20029	3.6
441.16565	2.5
441.21216	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	441.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.8
54.04973	9.2
55.01868	24.9
55.05510	47.5
56.96556	16.8
57.03438	20.8
57.77694	9.3
61.02916	20.0
67.05506	45.2
68.99792	23.9
69.03441	71.5
69.07077	72.4
70.06227	9.5
71.04996	22.4
71.08630	12.1
71.54781	16.4
73.02913	16.2
79.05489	34.3
81.03428	87.8
81.07049	66.2
83.04974	22.3
83.08613	16.1
84.08150	14.4
85.02914	85.4
85.06491	13.9
87.00818	36.5
90.91373	11.4
91.05469	57.4
93.07044	56.3
95.04974	89.9
95.08614	78.0
97.02898	35.2
97.06533	56.3
97.10191	11.6
98.97557	11.0
99.04453	33.8
99.08102	22.1
100.11253	25.0
105.01879	25.9
105.07040	69.0
107.08611	84.6
109.02884	50.5
109.06525	89.8
109.10168	50.5
111.04436	33.2
115.03928	12.3
115.05459	12.4
117.06976	13.1
119.08583	100.0
120.08113	49.4
121.06524	34.5
121.10159	69.8
123.08073	45.2
123.11686	22.2
124.74059	9.7
127.03937	78.0
128.06120	14.9
129.01869	20.8
129.07039	17.5
131.08583	42.1
133.10138	86.1
135.08067	24.6
135.11688	54.5
137.06000	31.0
137.09595	53.5
143.08556	25.0
145.04976	20.6
145.06483	25.1
145.10135	40.0
147.02916	20.7
147.08040	16.9
147.11691	47.4
149.09563	23.4
149.13307	21.3
155.08614	14.7
157.06570	15.0
157.10162	26.6
159.02913	14.2
159.08075	14.6
159.11717	41.0
161.09645	60.7
161.13322	13.1
163.03917	25.3
163.11159	14.3
165.09129	59.2
167.08537	13.5
170.15417	33.4
171.11726	23.8
173.09637	16.3
173.13293	50.4
175.11176	18.8
175.14865	68.1
177.12689	23.8
179.10657	29.5
182.15421	27.0
183.11720	14.4
185.09613	10.6
185.13284	11.2
187.14842	25.7
191.14217	35.9
193.15836	60.3
197.13297	13.7
198.14929	24.2
199.14842	15.2
203.14351	19.7
209.25977	11.2
210.14883	32.2
215.14290	10.7
217.15910	33.5
223.11118	12.3
224.42424	10.7
227.17461	16.2
229.16055	16.2
235.16937	40.7
236.17429	12.5
243.13985	12.2
244.20105	14.9
259.09729	17.8
259.16833	13.5
265.16049	11.0
277.18018	32.1
279.10214	54.1
283.10681	13.7
283.16962	36.1
301.17938	30.2
311.57831	12.8
337.21069	18.0
383.16876	17.3
397.18182	26.8
405.19418	18.6
423.20135	27.2
424.31509	22.0
441.11124	21.8
441.17053	60.2
441.21500	14.7
441.25848	20.7
441.34213	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	441.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.8
54.04973	9.2
55.01868	24.9
55.05510	47.5
56.96556	16.8
57.03438	20.8
57.77694	9.3
61.02916	20.0
67.05506	45.2
68.99792	23.9
69.03441	71.5
69.07077	72.4
70.06227	9.5
71.04996	22.4
71.08630	12.1
71.54781	16.4
73.02913	16.2
79.05489	34.3
81.03428	87.8
81.07049	66.2
83.04974	22.3
83.08613	16.1
84.08150	14.4
85.02914	85.4
85.06491	13.9
87.00818	36.5
90.91373	11.4
91.05469	57.4
93.07044	56.3
95.04974	89.9
95.08614	78.0
97.02898	35.2
97.06533	56.3
97.10191	11.6
98.97557	11.0
99.04453	33.8
99.08102	22.1
100.11253	25.0
105.01879	25.9
105.07040	69.0
107.08611	84.6
109.02884	50.5
109.06525	89.8
109.10168	50.5
111.04436	33.2
115.03928	12.3
115.05459	12.4
117.06976	13.1
119.08583	100.0
120.08113	49.4
121.06524	34.5
121.10159	69.8
123.08073	45.2
123.11686	22.2
124.74059	9.7
127.03937	78.0
128.06120	14.9
129.01869	20.8
129.07039	17.5
131.08583	42.1
133.10138	86.1
135.08067	24.6
135.11688	54.5
137.06000	31.0
137.09595	53.5
143.08556	25.0
145.04976	20.6
145.06483	25.1
145.10135	40.0
147.02916	20.7
147.08040	16.9
147.11691	47.4
149.09563	23.4
149.13307	21.3
155.08614	14.7
157.06570	15.0
157.10162	26.6
159.02913	14.2
159.08075	14.6
159.11717	41.0
161.09645	60.7
161.13322	13.1
163.03917	25.3
163.11159	14.3
165.09129	59.2
167.08537	13.5
170.15417	33.4
171.11726	23.8
173.09637	16.3
173.13293	50.4
175.11176	18.8
175.14865	68.1
177.12689	23.8
179.10657	29.5
182.15421	27.0
183.11720	14.4
185.09613	10.6
185.13284	11.2
187.14842	25.7
191.14217	35.9
193.15836	60.3
197.13297	13.7
198.14929	24.2
199.14842	15.2
203.14351	19.7
209.25977	11.2
210.14883	32.2
215.14290	10.7
217.15910	33.5
223.11118	12.3
224.42424	10.7
227.17461	16.2
229.16055	16.2
235.16937	40.7
236.17429	12.5
243.13985	12.2
244.20105	14.9
259.09729	17.8
259.16833	13.5
265.16049	11.0
277.18018	32.1
279.10214	54.1
283.10681	13.7
283.16962	36.1
301.17938	30.2
311.57831	12.8
337.21069	18.0
383.16876	17.3
397.18182	26.8
405.19418	18.6
423.20135	27.2
424.31509	22.0
441.11124	21.8
441.17053	60.2
441.21500	14.7
441.25848	20.7
441.34213	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	441.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01877	1.7
55.05509	3.6
56.96564	0.8
57.03446	1.0
61.02943	0.6
67.05518	5.6
69.03432	10.5
69.07073	5.1
70.94230	1.7
71.05002	2.3
79.05499	3.0
81.03423	11.4
81.07069	8.9
83.05008	1.7
83.08624	2.4
84.04521	0.8
85.02919	3.8
87.00831	2.3
91.05496	2.8
93.07056	4.5
95.04980	2.4
95.08611	6.8
97.02924	3.4
97.06525	1.8
97.10194	1.2
98.97581	0.7
99.04451	3.0
105.01882	0.7
105.07053	3.5
107.08610	7.7
109.02888	7.3
109.06573	3.4
109.10170	12.7
111.08078	5.0
117.07012	0.9
119.08605	6.7
121.06493	1.5
121.10163	2.4
123.08086	3.4
123.11731	4.3
125.09631	0.8
127.03927	4.6
129.06964	0.8
130.05002	0.5
130.37523	0.5
131.04924	0.9
133.10156	9.3
135.11702	10.3
135.70076	0.6
137.09633	100.0
138.09972	1.0
143.08536	0.8
145.04956	0.9
145.06488	4.7
147.04468	0.8
147.11705	1.5
149.13271	1.0
151.11203	3.7
151.14839	0.9
163.03896	0.7
165.09102	2.4
166.45587	0.6
169.06497	0.9
171.08026	1.2
175.14847	12.6
193.15903	79.6
194.16214	1.5
195.08107	0.7
197.09578	0.6
211.11363	0.7
227.14250	0.8
231.05009	2.5
237.12711	1.0
255.13960	0.8
261.09247	0.6
273.14844	1.9
308.75653	0.6
349.21603	1.7
367.22614	4.3
405.24026	1.0
441.21039	8.1
441.26358	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	441.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29924	1.2
53.74045	1.2
53.83925	1.1
55.01865	4.8
55.05523	17.6
56.96571	3.7
57.03431	2.0
60.47815	1.2
65.03920	1.7
67.05231	1.3
67.05521	16.2
69.07089	6.0
71.04997	2.8
79.05501	16.1
81.03430	1.9
81.06595	1.4
81.07065	20.2
83.08624	4.4
84.04547	1.9
85.06547	1.5
88.21162	1.3
91.05495	11.9
93.07056	10.8
95.04976	2.9
95.08617	14.3
97.06541	3.5
97.10175	5.5
98.97600	11.2
99.08101	1.4
105.07047	9.5
107.04973	3.1
107.08602	10.1
109.06494	1.4
109.10184	6.8
110.97598	2.1
115.05515	1.6
116.98633	3.2
117.07038	7.7
119.04938	4.0
119.08594	5.2
121.06520	11.5
121.10161	4.4
123.08073	4.5
125.09628	3.7
127.03912	2.2
128.06239	4.9
129.07013	13.5
131.00169	2.4
131.04926	11.8
131.08574	9.9
133.06505	5.6
135.08044	3.0
137.09673	2.3
141.07007	9.0
143.08578	11.4
144.05690	4.9
145.06502	86.8
145.10176	2.1
146.06900	1.6
147.04434	5.8
147.08089	6.7
149.87408	1.3
153.01758	1.7
154.07729	1.4
155.08556	8.1
157.06505	11.6
157.10132	3.4
158.99683	3.9
159.08064	7.4
159.11589	1.4
161.06009	7.9
165.07019	2.5
165.09134	2.8
167.08606	5.3
169.06505	9.1
169.10179	5.5
170.07275	2.2
171.08064	21.4
173.01270	1.4
173.09694	2.0
177.00775	1.8
181.06519	3.2
181.10168	4.3
182.07222	1.8
183.08073	8.0
183.11740	2.5
184.08905	2.0
185.09650	9.7
185.13313	1.6
187.11087	1.7
193.10043	1.8
195.08119	6.5
195.11740	13.8
197.09653	5.1
197.13269	7.0
199.11208	3.2
207.11717	1.6
209.09651	3.8
209.13239	2.5
211.11168	6.2
213.12794	3.0
219.01813	2.2
219.11636	1.4
223.11220	4.6
224.11963	1.4
225.12755	6.1
227.14319	9.0
233.13281	1.5
235.11282	3.3
237.12764	11.3
239.14423	4.2
243.13814	2.7
244.99757	1.9
253.15854	2.6
255.13817	17.8
257.15421	2.1
263.14169	1.5
273.14880	38.4
277.15567	1.2
279.41946	1.3
281.15350	4.3
283.16965	4.8
287.16470	1.7
293.15497	1.9
297.18597	2.3
299.16406	3.6
307.16907	1.6
311.16605	6.6
313.17926	2.2
321.22229	2.5
325.18063	2.3
331.20688	3.0
339.23141	8.4
349.21689	41.9
355.14401	3.2
367.22702	68.1
368.22977	2.6
377.24686	1.4
385.23859	7.3
387.23257	3.3
395.25830	3.1
405.24323	16.5
423.25269	6.8
441.21509	3.9
441.26413	100.0
442.26682	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	441.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31622	2.3
55.05517	12.2
56.96580	3.9
57.03423	2.3
57.07077	6.7
60.60350	2.3
67.05515	19.0
69.07070	20.4
71.08633	9.6
71.15299	4.8
79.05495	10.4
81.07075	26.4
83.04980	3.1
83.08612	9.7
91.05473	10.2
93.07063	15.7
95.04955	2.2
95.08622	24.7
97.06533	4.9
97.10205	3.2
99.08094	7.3
99.71828	2.3
105.07018	8.0
107.08609	15.4
109.06551	11.7
109.10149	13.6
111.04470	2.7
111.08099	2.9
116.05273	2.2
119.08582	11.4
121.10177	13.3
123.08076	39.6
123.11695	5.1
125.00013	3.2
131.08553	3.4
133.10161	12.5
135.08093	8.8
135.11711	6.1
137.09637	3.1
137.13315	2.4
145.10133	5.5
147.11746	7.1
149.09613	4.1
149.13312	4.0
153.12790	4.5
159.11665	3.7
161.13243	4.5
163.01549	2.4
164.62981	2.2
165.12769	3.4
167.14375	2.5
173.09671	2.9
173.13237	2.9
179.14328	47.3
191.14346	4.3
193.15880	3.7
205.15875	2.6
251.20099	9.3
269.13617	12.0
293.21219	11.2
303.26813	15.8
305.13577	2.6
321.27988	3.4
331.26358	51.6
349.27383	50.0
381.18756	8.4
405.29907	5.4
423.15027	3.6
423.31052	100.0
441.15698	4.3
441.20969	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01871	2.3
55.05511	2.7
56.05065	0.6
57.03445	5.2
59.05023	0.6
61.02935	8.0
63.46548	0.5
66.18686	0.6
69.03436	17.0
70.06599	3.1
70.71061	1.4
71.05007	4.6
72.08156	3.2
73.02934	3.5
81.03426	6.2
81.07047	0.8
83.04959	0.6
83.08630	5.4
85.02914	100.0
86.09705	3.7
87.04481	2.1
91.03969	5.7
91.05462	0.7
93.07082	1.0
95.05012	0.8
97.02903	22.4
98.97587	0.7
99.04458	4.7
103.03957	1.7
107.08567	0.6
109.02892	8.2
111.08101	1.9
113.09626	1.0
115.03900	0.9
116.07143	1.2
123.04367	0.7
127.03931	27.4
129.09109	1.0
137.09621	0.9
139.07588	2.3
141.09148	1.7
141.10181	0.8
145.04976	51.2
151.07597	0.7
155.10686	1.1
163.06041	18.6
163.07420	1.2
167.10728	1.0
179.10728	0.9
181.98590	0.6
191.10681	0.7
209.11664	1.3
221.07164	0.7
227.12793	1.9
228.13515	2.3
245.13890	1.8
263.15045	2.1
299.88351	0.7
369.49094	0.7
442.17905	2.2
460.67587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
55.05515	6.8
55.05946	0.8
56.96569	1.7
57.07067	1.5
62.06082	1.9
65.03927	1.0
67.05512	5.4
69.03413	1.0
69.07074	11.5
69.66839	4.9
70.06596	1.6
71.05013	0.9
72.08149	3.6
79.05516	4.4
81.07068	8.1
83.04959	1.0
83.08614	8.2
83.70291	0.8
84.04513	1.2
84.08136	2.7
86.06073	22.4
91.05484	3.7
93.07055	5.6
95.04973	1.2
95.08620	4.6
96.08134	6.3
97.06548	3.2
97.10188	1.3
98.06062	2.1
98.09705	11.6
98.21494	1.2
99.04437	1.2
105.07052	2.2
107.08598	4.0
108.08133	2.9
109.06474	1.0
109.10128	2.8
110.09707	1.2
111.08093	1.3
114.09164	1.5
116.10746	58.7
117.07016	1.3
119.08531	0.9
121.10115	1.1
122.09689	3.6
124.07617	0.9
125.09759	0.9
125.49181	1.0
126.09167	1.1
129.07010	1.7
131.08586	2.2
133.10153	1.0
135.11673	0.8
141.09241	0.9
143.08601	1.7
147.04407	2.0
149.13255	4.7
152.10704	1.5
159.11725	1.3
167.14343	1.1
212.16423	2.1
215.84479	0.8
238.17921	1.1
239.16391	3.2
250.21974	0.9
257.17511	2.6
264.23294	0.9
280.22839	1.1
292.22690	3.3
310.23767	17.1
328.24860	100.0
329.25235	2.9
351.23309	1.6
369.24496	1.1
394.63409	1.1
424.30682	0.9
431.27762	1.0
442.31488	3.7
443.28009	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	443.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.5
53.03941	2.3
55.01872	7.0
56.96577	1.8
57.03431	3.5
61.02935	2.9
65.03939	4.8
67.05507	2.5
68.99808	7.9
69.03442	4.2
71.55683	1.9
73.02912	1.8
76.74606	1.3
79.01846	2.6
79.05490	7.2
81.03422	8.5
85.02905	5.9
86.09704	2.1
91.05494	8.1
93.03407	3.3
93.07052	2.8
94.04171	1.5
95.04978	14.8
97.02904	7.3
98.97577	3.0
99.27121	1.3
103.03951	3.0
103.05483	4.1
105.03389	3.8
105.07053	4.0
107.04971	8.2
109.02909	9.0
109.06512	2.3
111.04426	3.4
115.05494	1.4
116.98612	1.4
119.04931	5.6
120.08080	1.7
120.56328	1.7
121.02883	43.6
121.08424	1.3
123.04431	15.0
127.03947	1.6
131.00177	1.5
131.04907	3.4
132.05756	2.1
133.02850	4.1
133.05597	1.3
133.06558	2.9
135.04431	12.2
136.11314	1.5
137.05981	3.2
139.07549	3.3
141.01799	3.0
145.02856	1.9
147.04402	9.2
148.05223	7.0
149.01273	1.4
149.02354	5.7
150.06848	3.3
151.03918	5.9
151.07559	11.3
153.01825	6.3
159.04489	3.5
160.05286	2.9
161.02364	3.5
161.06044	2.2
163.03929	33.3
163.07573	16.9
165.01859	84.7
165.05499	15.4
165.09117	10.5
167.03284	2.2
173.02419	3.3
175.03926	8.6
176.04689	2.7
177.00514	1.5
177.01880	18.1
177.05515	2.3
178.99791	2.6
179.03381	5.0
181.04974	1.7
183.02921	35.9
184.10516	1.7
187.03973	7.2
189.01855	63.8
189.05505	2.4
190.02483	2.5
190.99782	2.2
191.03421	71.7
191.07060	68.4
193.01378	3.7
193.04898	1.7
195.02901	6.1
199.04024	1.9
199.94688	1.4
203.03430	19.1
205.01523	1.9
205.05098	7.2
207.02893	17.9
209.04430	4.7
215.03407	20.9
217.01337	5.4
217.04987	4.9
219.02922	100.0
220.03423	3.5
221.93115	1.5
231.02921	42.6
233.04480	16.9
237.04057	8.0
237.09102	2.4
239.52528	1.6
243.02896	19.9
243.08766	7.4
245.04440	7.9
249.03987	53.8
259.10153	4.2
261.03979	82.5
267.04886	1.7
268.10794	5.8
268.60782	2.4
269.76175	1.6
279.05029	65.8
287.05838	2.0
297.06094	5.5
305.06622	4.5
311.08948	1.7
323.09137	3.0
329.10242	51.9
341.10318	9.8
353.10147	9.9
365.10281	1.8
383.11279	44.9
395.11407	13.7
397.12463	1.7
399.19147	4.0
401.12152	1.8
407.11371	5.0
413.12360	9.7
425.12161	12.2
443.13281	23.7
443.18546	13.6
444.13678	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	443.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
53.09526	1.2
55.01864	5.8
57.03435	2.2
59.05011	1.9
61.02924	3.7
65.03934	4.1
67.05500	3.5
68.99776	7.4
69.03426	3.9
69.07069	2.0
69.46706	1.5
70.06583	1.6
71.55243	2.0
72.08162	1.6
77.03929	1.9
79.01840	1.3
79.05515	7.7
81.03426	10.0
81.07077	2.1
82.99664	1.3
83.04987	1.6
84.08140	2.7
85.02914	5.9
86.09723	2.0
87.61564	1.3
91.05485	11.2
93.03424	5.2
93.07057	2.8
95.01319	2.0
95.04974	15.7
97.02904	8.7
97.06567	2.3
98.97591	4.8
103.03966	2.1
103.05482	4.7
104.91903	1.3
105.03419	5.6
105.07041	4.5
107.01315	1.3
107.04975	7.9
107.08615	1.6
109.02905	8.3
112.99144	1.7
115.05450	1.6
116.98631	2.7
117.03389	1.7
119.04947	5.0
120.08127	2.0
121.02889	41.4
123.04451	10.8
127.03943	3.3
129.44542	1.4
131.00214	1.8
131.04956	4.7
132.05725	2.4
133.02887	4.5
133.06503	3.2
135.04427	11.8
137.02316	3.6
137.05974	3.0
139.03882	2.2
139.07579	1.6
141.01834	5.0
145.02879	1.6
147.00822	1.5
147.04404	9.5
148.05182	8.7
149.01299	1.8
149.02368	5.2
150.06749	6.3
151.03889	7.0
151.07549	9.9
153.01802	7.3
158.99660	1.8
159.04440	3.5
160.05191	2.2
161.02405	3.0
161.05913	3.2
163.03932	30.8
163.07573	18.9
165.01848	83.3
165.05467	14.2
165.09109	12.8
173.02348	3.0
175.03885	7.1
177.01874	18.7
177.05411	3.2
179.03427	5.4
183.02892	32.4
187.03911	9.5
189.01846	73.4
189.05447	2.9
190.02414	2.7
191.03416	68.1
191.07039	67.2
192.07452	2.1
193.01379	2.8
195.02972	7.0
197.00841	1.6
201.01826	1.9
203.03427	18.8
205.04996	5.8
207.02913	21.7
209.00856	1.7
209.04443	5.1
215.03401	20.3
217.01360	6.3
217.05049	2.5
219.02911	100.0
220.03270	3.3
221.04550	2.0
231.02913	37.3
233.04465	14.2
235.07724	1.8
237.03964	6.5
237.09123	1.8
243.02885	17.2
243.08931	6.2
243.59016	2.1
245.04329	7.6
249.03961	59.9
251.05580	1.6
257.04480	2.1
259.10132	5.0
261.03964	75.5
265.08603	1.6
265.12259	1.6
268.10709	8.3
275.05704	1.8
279.05008	61.6
283.09567	1.5
287.05682	2.2
289.05325	2.6
297.06064	6.0
297.11389	1.6
299.09335	2.2
305.06604	5.5
311.09058	1.7
323.09286	3.7
329.10226	55.1
341.10196	11.5
351.08655	1.9
353.10199	7.7
383.11292	43.0
384.12061	1.9
395.11322	14.7
399.19382	5.6
407.11301	6.3
413.12439	7.7
425.12332	13.1
443.13278	24.8
443.18701	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	443.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77814	0.4
59.99768	0.5
61.47363	0.4
62.42788	0.4
71.91859	0.4
83.43489	0.4
88.97416	0.4
90.16970	0.4
95.08612	0.6
98.20770	1.0
161.51736	0.4
163.04047	0.5
178.31143	0.4
185.04243	0.6
195.13580	2.4
218.25307	0.5
223.13092	1.1
247.06819	0.5
281.08307	0.5
310.50818	0.4
339.17795	0.6
357.18845	8.7
375.18613	0.6
399.19949	42.3
400.20502	0.7
443.18945	100.0
444.19339	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	443.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67175	2.3
52.47162	2.3
53.03952	3.9
55.01877	4.0
55.05519	37.1
55.45517	2.1
56.05042	6.0
56.96562	4.1
57.03449	11.6
57.32406	2.0
59.04998	7.4
61.02940	11.9
67.05513	4.9
69.03436	34.0
69.07082	3.6
69.60430	4.7
69.60849	8.9
70.03783	2.4
70.06600	14.0
71.05006	3.4
72.08164	4.1
73.02917	6.9
74.06087	7.9
79.05511	7.3
81.03447	14.2
81.07076	14.2
83.04992	39.9
84.08141	11.6
85.02917	100.0
85.06569	2.9
86.03262	6.6
86.09740	15.2
87.04489	3.6
91.03967	6.2
91.05505	11.3
93.07066	13.9
95.04991	18.8
95.08611	5.7
97.02911	34.5
97.06538	3.2
98.21483	4.4
98.97601	9.9
99.04479	6.2
101.06031	27.8
103.05495	4.5
104.05343	3.9
105.07036	19.9
107.08604	16.2
109.02892	9.0
109.06493	10.8
109.10214	5.6
115.05442	2.7
116.07108	3.0
116.64645	2.1
116.98618	2.8
117.07055	5.8
119.08602	19.9
121.06532	7.0
121.10153	18.3
123.08102	5.8
125.05965	5.2
127.03928	24.3
128.06293	4.2
129.07011	5.5
129.10281	10.1
131.08545	4.2
133.03180	2.5
133.06514	2.6
133.10159	10.7
135.08070	11.1
135.11751	6.1
136.07568	2.9
137.05983	9.7
137.09647	9.8
142.07729	2.7
143.08585	6.6
145.04984	24.7
145.06264	3.8
145.10139	16.3
146.05307	6.1
147.08038	19.0
149.09648	4.7
150.05865	7.8
157.10149	8.0
159.08063	11.8
159.11745	10.8
161.09627	16.1
161.13358	3.7
163.06067	4.3
163.07523	2.7
163.11206	96.8
164.06369	2.7
165.09067	3.5
169.10066	2.4
173.09705	2.3
175.11290	2.2
175.14908	3.5
177.09167	18.7
179.10736	5.5
181.08572	2.9
181.12250	37.5
185.13385	2.8
187.11211	4.5
189.09146	4.9
195.10345	3.1
203.14391	9.9
205.12257	4.5
207.10155	19.6
210.02463	3.4
219.01764	2.4
227.14355	8.2
233.15343	6.0
234.98857	2.4
237.09164	3.1
241.08446	5.7
245.15353	18.1
263.07126	3.4
263.16449	51.1
265.08713	5.6
281.17520	26.7
286.50363	2.5
311.07269	3.0
323.09131	5.6
385.74326	2.3
399.16391	3.0
443.14285	4.0
443.23450	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	444.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12318	1.1
69.03448	1.7
70.06586	2.5
71.45788	1.6
82.96583	1.0
85.02902	1.9
86.09689	2.0
91.05805	2.9
98.97601	2.1
125.23586	1.1
132.67709	1.1
135.34642	1.0
138.09120	1.2
152.06841	3.2
167.05595	1.4
181.04993	1.5
219.01982	1.3
232.35072	1.1
236.08960	38.3
254.08781	7.6
264.08441	3.4
272.09775	3.0
282.09506	67.8
283.10150	1.2
300.09445	3.5
359.02936	2.3
444.14771	100.0
445.15442	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	445.1498
Annotation	(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one
Peak:m/z	Relative Intensity
55.22952	2.2
64.64171	2.4
69.03402	2.3
69.67136	10.5
78.36462	2.1
81.03443	2.3
89.03918	12.1
91.05453	2.4
91.23594	1.9
106.04171	2.4
109.10118	2.7
117.03391	35.7
133.28697	2.9
134.46814	2.1
134.89775	2.4
135.11572	2.2
145.02852	65.0
149.05952	8.2
177.05487	100.0
214.33920	2.3
251.09126	5.6
288.07898	2.4
445.25803	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	445.1689
Annotation	Rossicasin B
Peak:m/z	Relative Intensity
52.61427	0.4
56.96572	0.6
57.69723	0.4
57.99124	0.4
63.36492	0.4
69.03432	0.8
70.06608	3.3
70.16859	1.8
72.08154	1.4
73.04747	1.8
77.66733	0.4
79.05467	0.8
81.03404	0.7
81.07067	0.7
83.04953	0.5
84.04494	0.5
84.08138	1.7
85.02894	1.1
86.09715	5.3
88.24959	0.4
91.05835	2.2
95.04986	0.6
97.02915	0.5
98.97598	0.6
121.02877	3.8
131.01863	0.5
139.08659	0.4
145.04997	0.6
163.03947	1.0
167.05624	0.7
185.13078	0.6
203.04025	0.7
221.05052	2.1
225.04219	0.6
254.92783	0.4
265.06964	0.5
301.12640	3.9
343.12659	2.6
359.02914	1.3
383.16806	8.9
385.14706	4.0
401.17899	0.9
427.15784	2.0
445.16800	100.0
446.17188	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.01876	5.2
55.05519	19.5
57.03429	2.6
57.07059	2.3
59.04989	2.3
65.03957	3.9
67.05175	3.3
67.05508	49.0
69.03439	7.4
69.07072	15.9
69.40044	2.0
69.90189	11.7
71.05000	5.1
73.04784	2.4
79.05501	40.6
81.03414	8.3
81.07069	44.2
83.04986	2.7
83.08617	10.3
85.02899	3.9
91.04967	4.4
91.05484	58.2
93.07060	36.2
95.04971	11.1
95.08619	26.1
97.02899	5.9
97.06529	4.5
97.10181	3.9
98.21478	4.1
103.05441	4.1
105.04539	2.2
105.07037	57.8
107.04951	6.1
107.08603	20.7
109.06532	4.0
109.10150	11.6
115.05471	5.3
117.07021	25.1
119.08589	29.5
121.06509	5.5
121.10146	10.3
128.06232	5.3
129.07024	15.7
131.08578	36.7
132.40321	2.6
133.06483	5.4
133.10127	16.7
135.08061	4.7
135.11710	6.1
137.09631	3.0
140.38487	2.5
141.06972	5.1
142.07732	3.9
143.08603	15.9
145.06549	3.9
145.10143	26.0
147.08067	5.0
147.11670	6.3
149.09647	4.4
151.08879	2.5
155.08569	10.8
156.09293	2.5
157.10139	10.1
159.11693	6.2
161.09671	3.5
163.11186	5.1
165.09106	2.4
167.08551	4.5
169.10164	6.8
171.11685	7.7
173.13268	3.5
175.11215	2.5
181.10191	5.1
183.11740	4.3
183.47169	2.2
185.13269	6.4
187.14828	3.1
189.43649	2.9
190.75078	2.5
195.11676	3.9
197.13344	4.3
199.14856	4.2
207.95775	2.5
209.11659	2.9
209.13377	4.0
211.14951	2.9
213.12843	2.5
213.16470	3.0
223.14902	3.4
241.16022	2.7
247.16927	5.6
259.16931	3.1
261.18570	3.2
275.20297	2.4
281.64264	2.4
325.25433	4.3
335.23590	4.4
343.26410	5.3
353.20770	4.7
353.24756	20.5
366.72330	2.6
371.25845	12.7
381.39230	2.6
389.26804	18.5
427.28470	3.9
445.20459	4.8
445.29544	100.0
469.28305	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.3
55.01865	6.8
55.05264	2.9
55.05516	43.3
57.07079	43.1
67.05505	21.9
69.03436	2.6
69.07074	71.0
70.80669	4.0
71.04954	2.3
71.08640	30.0
79.05503	15.1
81.07064	59.9
83.04985	4.7
83.08623	44.1
85.10185	16.0
91.05463	7.7
93.07056	32.3
95.04971	2.6
95.08612	45.4
97.06541	5.6
97.10180	28.7
103.55938	1.6
105.04545	2.0
105.07031	5.9
107.08609	27.9
109.06514	4.7
109.10158	21.7
111.08100	11.6
111.11720	16.1
119.08587	6.4
121.06493	4.7
121.10154	16.3
123.08068	6.4
123.11688	10.9
124.05199	4.5
125.05994	2.7
125.13274	6.1
131.08623	1.7
133.10101	2.5
135.08054	4.1
135.11713	13.4
137.05966	12.5
137.09642	2.0
137.13269	5.7
139.07547	100.0
140.07869	3.1
141.22786	1.7
147.08127	2.7
147.11707	2.4
149.09608	4.5
149.13254	14.3
151.07544	11.7
151.14769	3.0
161.09637	2.9
161.13213	2.6
163.11176	2.6
163.14836	13.9
165.05484	15.3
165.09122	19.9
165.16408	1.7
167.06955	2.5
171.11708	1.6
175.11198	3.9
177.09145	6.0
177.16397	4.1
179.07010	1.8
181.08636	3.5
181.15930	2.2
185.13232	1.9
187.11084	1.8
189.12715	4.0
191.10757	2.6
193.08621	13.7
193.19548	1.8
203.10736	5.5
203.14400	2.3
205.12230	2.7
217.12250	4.3
219.21034	1.9
221.11758	4.3
231.13779	5.0
233.22519	2.2
235.13176	2.7
289.28922	15.6
307.29965	25.2
385.34381	1.7
417.37439	7.7
427.35742	8.7
445.36871	38.1
463.10855	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17974	3.8
54.40094	3.6
55.01870	6.5
55.05508	30.6
57.07083	70.4
59.26233	4.0
61.36546	3.5
65.44140	4.1
67.05505	13.2
69.07072	50.2
70.74618	8.3
70.74963	6.0
71.08640	44.2
74.49306	3.6
76.59527	3.4
79.05505	12.1
81.07061	29.5
83.01340	13.0
83.08640	31.5
83.14871	3.7
85.10184	21.7
91.05466	9.3
93.07062	10.9
95.08601	24.5
97.02889	7.1
97.10163	12.9
99.04455	5.5
105.07050	12.3
107.08574	10.1
109.06532	61.3
109.10163	16.5
110.56346	3.3
111.11718	11.7
115.03977	4.0
119.08578	13.7
121.10135	11.4
123.08074	6.5
123.11718	8.4
125.13280	4.9
131.08574	10.6
133.10165	9.2
135.08081	19.4
137.05988	100.0
137.09642	7.0
139.07574	22.1
143.08551	4.4
147.11691	7.4
149.09630	15.0
151.07552	41.8
157.10094	8.9
161.09659	14.0
161.13264	6.1
163.07552	7.5
163.11253	4.2
165.09140	26.5
171.11760	7.9
173.09587	5.8
175.11189	18.6
177.09119	15.3
179.07022	4.4
179.10672	13.8
181.08598	4.7
189.09053	5.6
189.12787	10.6
191.10649	4.3
193.08580	3.8
193.12265	17.2
203.14340	7.4
207.13847	17.3
217.15897	4.4
218.02605	4.0
221.15414	9.3
228.02815	4.0
231.17392	6.3
235.16956	13.2
249.18379	6.3
259.20636	5.9
263.20126	11.3
273.22202	4.4
277.21674	7.4
291.23123	8.2
299.08511	4.7
305.24722	4.7
319.26239	5.6
385.34631	28.1
399.36298	24.0
403.35660	27.0
417.37375	35.1
427.35800	21.4
445.36990	24.0
450.44757	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	446.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01873	2.7
56.96552	3.2
57.03416	3.4
61.02935	3.5
61.40379	2.1
67.05501	4.4
69.03426	13.2
69.07101	2.8
70.06598	4.8
71.05005	6.0
71.55145	4.3
71.55548	2.5
73.02912	4.3
78.56273	2.3
79.05491	3.1
81.03430	15.0
83.04951	4.0
85.02433	4.3
85.02917	70.4
86.09727	5.4
87.04509	2.1
91.05463	2.7
93.07058	4.2
95.04994	3.0
95.08593	2.6
97.02902	27.6
97.06530	4.2
98.97585	5.8
99.04466	37.4
103.03954	76.0
103.04646	3.6
105.07056	26.6
107.08668	2.6
109.02901	14.5
111.04510	2.4
119.08629	2.6
121.02892	5.8
121.10145	4.9
127.03937	100.0
129.07002	2.7
133.10162	3.4
137.09569	2.2
145.04967	59.7
145.06151	3.5
147.08023	2.9
149.26889	2.6
155.56520	2.2
157.10132	3.1
159.41501	2.4
163.03946	5.4
163.06044	53.7
187.06053	5.3
199.05898	2.7
205.07082	5.1
239.14349	4.9
241.15933	3.8
257.04498	3.0
266.78934	2.3
271.08185	6.7
275.64960	2.3
285.15021	12.3
286.10437	2.5
289.09128	5.5
299.14188	4.3
307.10156	9.3
335.47372	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	447.1287
Annotation	Glycitin
Peak:m/z	Relative Intensity
51.83274	0.2
58.49715	0.2
59.20238	0.3
69.53195	1.8
98.21490	0.6
110.78234	0.2
118.04153	0.3
121.02844	0.4
124.01520	0.5
152.01048	0.8
153.01784	0.7
167.03404	0.5
170.02109	0.3
188.19411	0.2
242.05748	4.8
253.04967	0.6
269.04453	3.4
270.05240	35.8
271.05536	0.9
285.07587	100.0
286.08011	2.0
447.13007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.2
55.05513	5.9
56.05036	6.5
56.96560	9.1
57.03440	5.7
60.04491	4.6
65.03941	4.1
67.05509	7.7
69.03421	10.7
69.07056	6.7
69.29967	35.6
70.06602	19.6
71.04994	6.4
72.08155	28.1
73.02894	6.3
73.04752	5.1
74.06082	5.9
79.05485	15.6
81.03426	10.3
81.07086	22.2
82.02930	6.0
83.04996	7.9
84.04488	10.9
84.08146	7.9
85.02914	51.8
86.09706	49.8
91.05396	4.8
91.05840	4.9
93.07015	8.7
94.06593	5.3
96.04498	8.1
96.08107	12.0
97.02889	23.1
97.06520	6.3
98.97584	17.9
99.04465	31.2
99.08082	6.0
100.09355	3.6
101.82954	4.0
102.05534	6.1
103.03948	45.1
105.07030	8.4
107.04943	8.2
109.02887	30.3
109.06483	5.0
111.04456	4.8
112.07652	4.9
116.06996	4.0
116.98618	6.7
119.08568	6.7
121.06477	8.8
122.06029	8.3
123.06373	7.3
124.07599	96.4
127.03934	56.6
133.06442	9.3
137.05998	4.4
140.07037	5.9
141.10208	4.8
142.08653	66.2
145.04979	37.9
145.06561	4.3
147.04404	8.2
147.08064	38.6
149.02274	4.6
151.03925	4.5
153.07080	4.9
158.99524	5.5
159.08012	7.0
161.09564	4.8
163.03954	9.1
163.06075	8.6
167.07031	13.4
167.11789	4.2
171.08060	15.6
173.09583	9.1
177.05464	14.8
179.04916	4.5
181.04884	5.4
183.07813	4.5
187.05881	5.1
189.09135	4.5
195.08041	12.8
196.08899	8.7
197.09613	15.5
201.08879	13.6
203.07004	5.4
207.06554	11.8
209.09631	14.7
210.10405	8.6
211.07527	4.2
211.11089	7.9
221.13362	6.7
224.11990	15.5
225.12770	16.4
231.06557	10.5
234.10419	13.1
239.14339	100.0
239.16656	8.8
249.07594	12.5
249.12779	15.0
250.12314	11.0
267.13733	57.0
268.13556	19.1
273.07852	4.7
285.07651	4.6
285.14771	54.1
303.15591	4.4
430.18439	4.3
447.12109	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	447.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01868	7.4
55.05514	25.6
57.03439	11.5
57.64568	1.6
65.03928	1.9
67.05509	60.2
69.03429	5.6
69.07079	14.2
70.66503	3.4
71.01347	2.5
71.04996	4.4
79.05501	64.4
79.05964	3.2
81.03427	88.3
81.07062	37.6
83.04992	12.3
83.08628	18.5
85.02908	2.8
85.06537	3.9
91.05487	43.7
93.07045	48.1
95.04977	47.3
95.08625	15.7
97.02892	4.1
97.06535	25.4
97.10165	14.3
99.08091	2.8
105.07040	28.7
107.04967	14.1
107.08602	33.7
109.06535	6.7
109.10166	6.8
111.04427	1.8
111.08068	8.9
113.11829	1.8
115.05463	4.7
117.07016	13.6
119.04967	1.9
119.08598	21.7
121.06523	9.3
121.10156	12.2
123.08046	3.6
125.09653	8.7
128.06261	2.8
129.07021	17.7
130.07777	2.4
131.04935	3.8
131.08578	17.9
133.06461	7.0
133.10146	11.4
135.08057	5.9
135.11705	39.6
137.09656	2.4
141.07021	2.2
142.07837	1.8
143.08575	7.3
145.06508	5.7
145.10121	15.5
147.04465	2.9
147.08063	7.1
147.11726	8.4
149.02373	1.9
149.09596	7.3
155.08568	5.8
157.10112	12.4
158.99602	1.7
159.08148	3.2
159.11707	3.4
161.09671	3.0
163.11165	9.6
165.12724	3.2
167.08559	3.4
169.10104	2.1
171.07977	2.1
171.11702	2.3
175.11176	8.9
177.12852	2.5
181.12256	3.1
183.11719	3.9
185.13289	7.5
187.11192	1.9
189.11275	5.1
193.12254	34.4
201.12733	2.5
203.10739	2.7
203.14293	2.9
205.12163	3.0
213.09218	2.8
227.12756	2.8
249.14922	4.7
257.15356	1.8
261.14850	2.2
309.15082	2.4
327.15860	2.7
327.23181	2.3
329.20996	9.4
337.14389	2.0
337.21692	7.4
355.15689	8.8
355.22733	16.1
373.23737	8.0
403.24771	8.1
429.26547	12.0
447.21021	5.5
447.27457	100.0
448.27792	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	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35439	0.4
52.99848	0.4
53.03956	2.7
55.05518	1.5
56.96570	0.7
57.03436	1.7
58.78832	0.4
61.02932	0.9
68.05035	0.9
69.03443	3.7
69.07066	0.7
70.06596	1.9
70.09068	1.3
71.05027	1.0
72.08162	0.6
73.02918	0.5
73.63648	0.4
79.05499	7.8
80.05016	1.8
81.03427	3.4
81.05808	3.3
81.07062	7.8
82.02946	1.4
83.03727	1.1
83.04981	2.3
84.04485	0.6
85.02913	9.5
86.06079	2.0
86.09715	1.4
94.06564	1.0
95.04980	1.3
96.04517	4.8
96.08144	10.0
97.02911	4.2
97.06503	1.2
99.04471	6.0
99.60866	0.4
103.03951	5.5
106.06595	0.7
107.04963	2.3
109.02205	0.7
109.02889	6.0
109.05247	0.6
112.07609	3.6
122.06789	0.4
124.07605	100.0
125.07927	0.8
127.03931	13.7
134.99490	0.4
137.06065	0.6
142.08652	70.3
143.09013	0.6
145.02875	0.7
145.04968	3.5
157.07527	0.5
163.03949	0.6
163.06029	1.4
167.07057	1.2
167.26100	0.4
177.05496	1.9
232.09689	0.7
237.02954	0.5
239.14383	0.8
240.14651	2.1
250.10541	0.6
253.07149	1.1
257.08109	0.8
268.14191	1.2
271.08270	0.9
286.15207	1.5
287.05533	1.9
289.09174	1.2
304.13968	3.4
317.02020	0.5
386.17990	1.1
412.15814	1.1
430.17154	1.2
448.18304	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	448.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
56.96565	1.0
57.07075	6.4
58.06602	2.7
67.05502	1.9
69.07055	1.0
70.06598	19.1
71.08625	2.2
71.54733	1.0
79.05499	1.3
81.03413	1.3
81.07057	1.8
85.02912	1.0
88.07635	20.7
91.05477	3.3
93.07048	1.5
95.08600	1.2
102.09179	16.1
104.02617	3.1
109.10113	1.2
119.04962	1.9
120.08871	1.0
131.08583	1.1
132.02094	8.2
136.01552	8.5
147.04414	26.2
148.05112	2.2
149.02353	1.9
175.03926	43.1
176.04655	2.5
180.04193	10.3
186.52306	1.0
191.07097	2.0
193.04935	1.6
219.06534	83.4
220.06898	1.4
256.26361	48.7
287.05536	7.3
362.68484	0.9
448.30624	100.0
449.30719	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	448.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98365	1.4
55.05518	6.8
57.07087	7.8
67.05514	5.4
67.60598	1.2
69.07078	10.8
70.07399	2.2
71.08633	6.3
71.10330	2.5
81.07063	1.9
83.08620	8.0
85.10174	2.7
89.48482	1.1
93.07030	2.5
95.08590	1.9
97.10165	5.5
98.10531	1.5
101.26398	1.2
101.46133	1.1
108.07758	1.2
109.10169	4.2
111.11718	3.2
112.12023	1.8
119.08578	3.9
121.06497	11.4
122.07301	1.7
125.13295	1.6
135.08084	1.4
136.08846	17.0
137.09630	13.9
139.07610	2.2
140.07855	1.8
149.02356	4.4
149.09624	2.2
151.07663	1.8
152.08177	1.2
153.09096	2.7
164.08340	35.3
165.09120	100.0
166.09547	4.1
177.09042	1.6
181.08723	3.3
182.08902	1.5
187.11208	1.3
205.12259	8.8
335.83691	1.1
430.38092	72.8
431.38440	2.2
448.38785	10.0
448.44684	1.9
463.69226	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
53.66584	0.1
54.13794	0.1
58.52933	0.1
67.01865	0.6
68.99796	0.5
70.08403	0.4
85.02891	0.1
89.03909	0.2
117.03365	0.2
118.71500	0.1
135.04442	1.7
137.02362	0.6
153.01842	5.3
161.02367	0.6
171.02904	0.4
171.04463	0.1
179.03389	0.3
203.03418	0.1
213.05489	0.2
231.06573	0.1
241.04994	0.5
269.04453	0.5
280.52530	0.1
287.05518	100.0
288.05850	2.3
288.08710	0.1
355.52383	0.1
388.22705	0.1
449.10809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.12662	0.1
55.01878	0.1
55.59760	0.1
63.86956	0.1
67.01872	0.7
68.99772	0.5
70.18603	0.2
70.18989	0.2
85.02916	0.1
85.35337	0.1
85.44067	0.1
89.03944	0.2
107.04932	0.1
111.00780	0.1
111.04470	0.1
117.03400	0.3
129.01888	0.1
135.04434	2.1
137.02377	0.6
153.01846	5.3
161.02371	0.6
171.02922	0.3
171.04298	0.1
179.03407	0.3
203.03560	0.1
213.05507	0.2
229.08609	0.2
231.06494	0.1
241.04915	0.8
245.04521	0.2
259.06009	0.2
269.04367	0.6
287.05527	100.0
288.05850	2.3
318.54648	0.1
449.10843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
61.02274	0.1
67.01876	0.5
68.99770	0.5
69.03403	0.3
69.43042	0.7
79.05457	0.1
79.47540	0.1
85.02870	0.4
89.03933	0.1
109.02888	0.1
113.48670	0.1
117.03350	0.3
129.01784	0.1
135.04411	2.1
137.02322	0.5
148.48312	0.1
153.01826	6.5
161.02303	0.6
171.02928	0.3
179.03412	0.4
213.05429	0.2
219.06532	0.1
231.06458	0.1
241.04892	0.6
245.04401	0.1
258.05292	0.1
259.06009	0.1
263.05460	0.1
269.04391	0.5
269.35699	0.1
286.04736	0.2
287.05496	100.0
288.05823	2.6
324.67349	0.1
329.06631	0.1
390.46671	0.1
438.64456	0.1
438.84119	0.1
449.10809	16.4
450.11136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09327	0.8
55.05516	1.1
67.05516	4.2
69.07066	1.0
69.32468	0.8
69.34368	7.6
79.05486	2.1
81.07055	2.1
83.04944	1.0
83.08580	1.1
84.98616	0.8
85.39268	0.8
91.05477	1.8
93.07025	2.2
95.08583	1.6
97.06528	2.5
105.07047	1.2
107.08614	2.3
118.75780	0.8
124.83820	0.9
140.18471	1.0
153.01831	1.0
154.12245	1.1
195.11218	0.9
207.52100	1.1
287.05548	23.0
299.05609	1.3
375.25034	1.0
421.29608	1.3
449.28812	100.0
450.29263	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56982	0.7
53.03954	3.0
55.01883	3.4
55.05510	3.7
57.03440	5.3
57.07072	1.7
61.02933	9.4
67.05180	0.7
67.05512	9.9
69.03432	21.1
69.07069	7.9
70.59147	2.0
71.05004	3.5
71.08658	0.7
73.02910	3.8
79.05500	1.2
81.03427	9.2
81.07066	13.2
83.01328	1.2
83.08624	7.2
84.78015	0.6
85.02911	100.0
87.04467	2.0
91.03963	4.9
93.07080	0.9
95.08613	22.8
97.02902	26.2
97.10181	5.1
99.04459	5.1
107.08594	1.0
107.26999	0.6
109.02879	7.2
109.10160	12.0
111.11710	5.1
115.03915	0.8
121.01978	0.7
123.11720	7.8
125.13314	2.9
127.03927	21.7
137.13249	4.5
145.04967	30.6
149.02316	1.2
151.14818	3.4
163.06052	3.0
175.19792	0.7
180.08701	0.9
184.07449	0.9
193.05055	1.6
198.18436	0.9
207.21123	9.6
225.22150	25.2
253.21684	0.8
271.22821	1.0
278.64066	0.7
284.29657	0.8
287.05505	1.2
288.05930	3.1
425.91235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73483	0.8
55.01867	2.0
59.18566	0.9
59.26229	0.6
67.05508	1.2
68.27247	0.7
69.06730	0.9
69.07077	13.0
69.27912	6.8
75.96958	0.8
79.05505	4.1
83.04988	1.7
89.03924	6.0
89.46535	0.7
97.06547	22.7
101.23509	0.9
107.04974	2.2
117.03400	9.6
133.02904	1.2
134.03632	2.5
135.04433	13.7
137.50302	0.7
145.02878	14.0
147.04416	0.8
161.02373	1.4
162.03139	1.0
163.03923	100.0
178.90221	0.8
185.81219	0.7
217.04948	2.4
226.42992	0.8
241.08487	1.3
259.09692	77.9
260.09952	2.0
298.78787	0.7
398.70074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
67.05502	1.5
67.13380	0.8
69.06733	1.2
69.07072	17.8
71.27886	1.0
71.28231	1.5
79.05499	6.7
79.11193	0.8
83.04980	1.9
83.84113	0.9
87.70188	0.8
89.03917	7.9
97.06532	23.4
107.04946	3.5
117.03376	11.4
133.02888	1.4
134.03630	4.4
135.04427	19.3
145.02853	16.6
161.02383	1.6
162.03099	1.3
163.03908	99.9
164.04221	1.7
184.10263	0.9
195.07986	1.3
195.41165	0.9
217.04948	2.9
241.08565	1.7
259.09668	100.0
260.09952	1.4
270.76297	0.9
479.58948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70125	0.9
55.01882	2.0
55.02180	0.9
55.05536	1.2
57.03439	1.4
67.05501	2.2
69.07066	8.2
69.44803	7.1
79.05499	9.0
89.03932	3.1
95.04971	1.1
97.06541	72.4
107.04975	1.7
117.03390	3.2
121.68790	0.9
133.02882	1.3
135.04414	6.0
145.02846	5.3
159.04433	5.0
161.02367	13.0
162.02995	1.1
163.02542	2.1
163.03922	42.4
173.02380	24.8
185.05975	1.8
191.03404	1.4
206.46967	1.1
208.47516	1.1
215.07050	30.0
259.09692	100.0
260.10028	2.6
263.14120	1.0
478.56668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40085	2.3
53.03949	13.4
55.01867	14.0
55.05508	17.9
56.96555	6.2
57.03431	5.7
61.02929	4.6
65.03928	4.7
65.48791	2.1
67.05505	32.7
68.99796	2.2
69.03431	29.6
69.07053	6.9
69.74284	10.7
70.06602	17.7
71.04989	17.0
72.08139	8.5
73.02909	4.5
79.05491	17.8
81.03419	26.1
81.07062	100.0
83.04969	15.2
84.08154	4.7
84.96048	2.6
85.02906	71.1
86.09687	7.0
87.00831	32.3
91.05491	33.6
93.07050	88.1
93.07635	5.1
94.07378	2.6
95.04980	30.6
95.08604	17.6
97.02895	31.9
97.06519	9.8
98.97582	5.8
99.04447	9.6
105.01868	47.9
105.07034	33.9
106.02908	3.7
106.04181	2.2
107.08596	75.8
109.02885	22.8
109.06537	14.5
109.10168	24.8
111.04482	3.5
111.08049	3.7
113.05984	3.9
115.03910	2.6
117.01826	4.9
121.10138	13.7
123.08061	9.5
123.11716	48.8
124.03936	6.1
127.03916	67.0
128.04291	2.4
129.10222	3.9
131.08562	6.0
133.10138	44.3
135.11736	2.8
136.07573	8.7
137.06033	2.7
141.10291	2.5
145.04965	33.4
147.04416	3.6
147.11655	2.4
149.09605	3.2
151.11182	43.2
153.01843	3.2
157.49059	2.6
157.96236	2.4
159.02872	9.8
163.03961	3.7
164.04276	3.3
167.03391	9.6
169.12273	6.0
173.04477	4.2
177.05396	2.9
186.22063	2.5
213.03839	2.8
231.04955	16.2
231.13683	2.6
249.05974	8.9
259.04770	2.5
260.09930	3.0
268.07925	2.4
290.07510	6.4
336.72388	2.6
382.07867	2.4
396.43802	2.5
436.44891	2.4
453.13718	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	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71284	1.7
55.05513	16.7
57.03436	5.6
57.07076	6.4
57.29449	1.6
62.06095	30.7
67.05508	12.7
69.07068	17.2
70.66337	3.2
71.08620	4.6
79.05504	6.5
81.07061	11.4
83.08624	13.8
93.07050	7.6
95.08614	11.0
97.06535	3.3
97.10174	7.5
98.98466	10.8
107.08617	6.1
109.10152	4.9
111.08094	6.5
111.11658	2.1
121.10165	9.7
135.11668	7.7
138.86876	2.0
149.13271	2.8
155.01082	7.0
173.02106	2.2
216.06331	2.8
219.21205	4.1
237.22128	6.2
280.26349	10.2
311.25827	100.0
312.26248	2.5
391.22202	4.0
421.23398	1.9
434.26483	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	453.1374
Annotation	Aspalathin
Peak:m/z	Relative Intensity
50.84873	0.6
52.49404	0.7
56.96573	0.9
69.03439	1.3
69.46250	4.4
70.06599	3.3
72.08137	1.2
74.06078	2.2
81.03445	0.9
81.07069	1.4
84.04509	1.2
84.08143	1.6
85.02912	1.6
86.09708	1.6
91.05500	1.4
95.04956	0.8
97.02903	1.0
97.06511	0.7
99.04446	0.7
109.06491	0.7
117.03308	0.8
118.08707	0.9
119.04964	0.9
120.08080	1.4
127.03928	1.0
127.92282	0.7
132.10223	0.8
134.10541	0.7
136.07570	5.8
138.56090	0.6
144.01433	0.6
145.02849	0.7
147.00522	1.2
147.04417	0.8
151.11183	3.0
152.07156	0.8
152.11562	1.8
157.61324	0.6
163.03966	1.0
182.08171	1.2
185.04240	0.7
201.12379	0.8
207.11313	1.9
219.13403	1.5
226.14156	0.8
226.65193	0.8
309.09540	1.2
316.63470	0.7
329.08316	4.6
391.13718	10.1
393.11584	2.0
435.22296	0.7
453.13733	100.0
454.14102	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	454.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.1
56.05029	16.7
56.96576	13.4
66.10857	10.2
66.11205	8.6
69.03423	19.8
70.06598	100.0
70.35634	9.0
71.04977	10.1
71.54951	19.0
72.08181	14.6
79.05502	17.0
81.03430	14.1
81.07065	52.7
84.04524	10.2
84.08152	65.9
85.02901	12.6
86.09702	22.9
91.05466	15.5
93.07030	27.7
95.08618	20.0
97.02916	10.1
107.08591	43.4
108.91526	9.0
111.84127	9.6
120.08066	12.1
127.03944	12.4
129.10233	30.8
131.00186	13.0
135.11690	54.9
136.07565	28.8
137.02405	46.7
138.05475	14.0
148.07620	13.2
153.12776	98.2
158.99573	13.3
160.43900	10.8
239.12881	21.5
252.09393	27.1
260.59412	10.0
261.09970	11.5
297.49304	10.3
315.13409	13.4
422.13855	12.0
454.14081	12.3
454.19974	11.2
479.59909	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	454.2934
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05501	2.8
57.03448	4.9
57.07082	23.8
62.06098	21.8
66.30509	0.6
67.05187	0.7
67.05513	4.7
69.07072	3.4
70.14379	1.0
71.08641	15.9
71.70274	0.5
76.31037	0.6
81.07066	5.2
83.08633	4.3
85.10193	7.8
89.06040	0.8
91.34923	0.6
95.08617	8.6
95.09172	1.1
97.10178	2.0
98.98481	5.3
99.11774	0.7
106.03255	0.6
109.10152	3.0
118.82941	0.6
123.11723	1.3
124.01631	1.5
125.13337	0.8
142.02684	1.1
155.01048	5.7
198.05327	1.4
216.06326	1.8
239.23750	1.4
282.27969	11.3
313.27399	100.0
314.27771	2.1
364.74390	0.8
393.24176	5.3
436.28381	1.6
451.75177	0.7
454.29355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2931
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.03951	0.6
55.05525	3.5
57.03189	0.7
57.03442	8.0
57.07081	25.5
58.17766	0.5
67.05508	7.4
69.07080	5.8
70.94263	1.4
70.94611	0.7
71.08639	16.7
77.34682	0.6
79.05487	1.8
81.06648	0.7
81.07066	7.7
83.08624	5.0
85.02917	0.8
85.10188	10.4
86.76120	0.6
89.06030	2.0
91.05479	1.1
93.07051	1.6
95.08616	10.0
97.10199	3.4
103.07591	1.4
104.97631	0.6
107.08570	1.0
109.10161	4.5
117.09184	0.6
121.38908	0.6
123.11695	1.6
133.12244	0.6
135.11725	0.8
154.94221	0.8
172.95338	0.8
181.06509	1.8
189.43916	0.6
199.56877	0.6
225.09123	1.8
239.23726	1.8
256.26364	2.2
257.24765	2.2
269.12299	0.6
282.27887	2.8
313.27380	100.0
314.27722	2.2
452.31985	0.8
454.33136	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	454.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.2
55.88899	1.2
57.07080	40.3
60.52885	1.1
67.05521	1.9
69.07069	3.7
71.08640	25.5
73.06556	6.3
81.07059	3.6
83.08621	3.6
85.10188	23.3
86.01613	1.2
87.04471	2.3
89.06039	100.0
91.05499	1.2
92.87002	1.1
95.08607	3.0
95.73808	1.1
97.10177	3.3
98.98482	1.5
99.00944	1.2
99.11757	2.8
107.07086	2.6
111.11792	1.1
113.13294	1.4
114.57191	0.9
117.09142	2.9
118.33488	1.2
119.08617	1.6
119.99828	1.1
123.11731	1.1
125.09569	1.6
130.08669	3.7
133.08618	42.7
155.17949	4.5
177.11244	17.3
195.12259	2.2
199.20601	4.6
221.13936	1.7
239.14940	1.6
243.23248	8.1
283.17542	14.3
287.25827	2.8
300.26151	2.0
313.27441	4.1
415.20477	1.4
437.34808	12.6
458.92239	1.3
458.99219	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	455.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01886	0.6
55.05516	1.7
55.90306	0.6
56.96573	3.1
57.03432	1.1
59.05004	0.6
61.02922	1.6
67.05499	3.9
69.03429	2.0
69.07071	3.3
70.06590	1.1
71.55016	0.8
73.02911	0.8
79.05502	3.2
81.03408	2.3
81.07048	3.5
83.05003	0.9
83.08617	0.7
84.04498	0.7
85.02908	2.9
86.09721	1.8
91.03973	0.5
91.05486	2.2
93.07037	2.6
95.04953	1.2
95.08597	2.6
97.02899	1.8
97.06540	4.0
97.10145	0.7
98.06845	0.7
98.97599	1.3
99.04489	0.8
105.07010	1.0
107.00166	0.6
107.04982	0.8
107.08601	2.4
109.02890	1.0
109.06532	1.1
109.10172	2.3
117.06999	1.0
119.08578	1.0
121.10150	2.4
121.72827	0.6
123.04410	0.7
123.08051	1.0
123.11703	0.9
127.03924	1.2
131.08649	0.6
133.10170	1.6
135.04440	0.9
135.08064	0.7
135.11743	0.6
137.13225	0.6
143.00153	0.6
145.34932	0.6
147.04382	1.0
149.13184	0.7
153.02002	0.6
157.10121	0.7
161.02928	0.8
163.03888	2.7
163.11166	0.8
165.09154	1.1
167.07069	1.0
170.05846	1.9
173.02339	0.9
193.12250	0.7
207.13597	0.9
209.11813	1.0
215.07085	2.1
227.05321	1.4
243.08864	0.8
245.06409	0.6
258.05188	1.6
259.09726	1.6
260.10156	1.0
266.54465	0.5
267.09079	1.5
283.15302	0.9
285.10190	2.0
286.04819	1.5
287.05539	4.4
287.23410	0.6
289.05313	2.2
301.09778	0.6
323.10535	0.7
324.11520	1.4
369.18860	9.1
393.18842	1.0
411.19925	25.8
411.25485	1.3
437.17886	1.9
455.18893	100.0
456.19464	3.6
462.22983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
56.96564	0.9
61.02924	0.5
64.38596	0.4
67.05511	3.1
69.03451	1.2
69.07059	1.0
70.15508	0.7
70.15907	1.1
71.05013	0.6
75.97102	0.3
79.05482	1.2
81.07043	1.5
83.08627	0.5
85.02892	0.7
91.05489	1.0
93.07027	1.4
95.04977	0.4
95.08595	1.0
97.02893	0.9
97.10202	0.5
98.21400	0.5
98.97595	0.7
103.63549	0.4
105.03397	4.1
105.07030	1.0
107.08608	1.0
109.06491	0.4
109.10160	2.0
119.08513	0.6
122.74608	0.4
123.11717	0.6
131.04942	6.6
131.08560	0.5
185.04227	8.6
190.12338	1.3
203.05293	3.6
218.11792	0.8
221.05132	0.6
231.10239	2.5
293.20859	7.6
342.10852	0.5
381.19745	0.5
455.26224	100.0
456.21100	0.5
456.26276	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01857	2.2
55.05508	1.4
55.94165	0.7
56.96558	1.9
57.03428	2.3
57.07077	12.9
59.05006	100.0
61.02927	1.3
67.05495	1.1
69.03436	9.6
69.07079	0.8
69.41271	3.0
69.41701	3.2
71.04970	1.5
73.02916	1.5
77.30236	0.8
79.05508	0.8
81.03432	7.2
81.07040	0.9
85.02428	1.1
85.02913	19.2
87.00835	7.2
89.03924	1.1
91.03956	1.2
93.07055	1.0
97.02916	5.7
97.06521	2.1
98.97618	1.0
99.04422	2.2
100.79984	0.8
105.01875	5.6
109.02879	5.4
109.10138	0.9
115.11223	30.1
117.09142	2.3
124.99052	0.9
127.03918	9.4
129.01825	0.8
135.04410	1.0
145.04991	2.8
159.02937	2.1
163.03923	7.4
164.04306	1.5
173.15425	4.3
191.16446	47.4
208.07846	1.0
215.07161	1.4
231.04980	1.8
259.09625	0.8
270.12634	2.4
278.62988	0.9
285.09943	1.5
332.78540	1.0
332.94388	0.8
392.78110	0.8
395.20941	1.0
410.20789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.01878	1.6
55.05500	0.8
56.96590	1.1
57.03447	2.1
57.07079	13.3
59.05004	100.0
61.02930	1.6
67.05495	1.0
69.03434	7.1
70.06740	1.9
70.07140	1.7
70.32273	0.9
71.04996	1.0
73.02930	2.3
81.03418	7.0
81.07050	0.8
85.02910	16.6
86.09715	3.0
87.00842	7.4
91.05504	1.1
97.02901	5.9
97.10186	1.4
98.21406	0.8
98.97594	1.0
99.04481	2.1
101.09614	0.8
105.01878	5.0
106.22417	0.7
109.02884	4.8
115.11210	30.8
117.01855	0.8
117.03355	0.8
117.09156	1.6
127.03934	8.2
145.04996	3.5
159.02916	2.3
163.03955	1.4
164.18861	0.7
164.83438	0.7
173.15373	6.0
189.04185	0.8
191.16432	49.5
231.05055	1.5
304.90469	0.8
362.79858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
56.96573	15.1
67.05482	2.7
69.03420	5.1
69.07069	5.0
70.06601	8.5
71.55720	3.1
75.90141	2.4
79.05500	4.3
81.03435	4.4
81.07056	5.8
84.08137	3.0
84.96021	14.9
85.02912	8.5
86.09710	12.3
87.09318	2.6
88.93382	2.6
91.05506	6.3
93.07056	5.8
95.04992	4.9
95.08614	5.6
97.06522	3.0
98.97603	100.0
101.21436	2.8
105.07056	3.8
107.08607	6.0
109.02915	3.8
110.97612	3.7
112.99142	22.5
116.98635	37.2
119.04928	4.7
120.05300	3.2
122.05354	2.7
125.84157	2.4
127.03951	4.0
131.00189	21.7
133.10132	7.7
134.99698	6.5
135.04372	12.8
136.04755	6.7
140.98601	5.5
144.98154	4.3
149.01239	11.4
156.10277	3.4
158.99672	27.2
165.09087	4.0
173.01248	20.8
177.00711	21.0
182.08203	3.0
183.11559	3.2
191.02316	18.9
191.14351	4.7
195.01920	3.6
201.00713	10.5
201.12346	9.7
208.13336	26.7
209.13660	27.2
219.01816	11.0
229.11809	4.0
237.02917	3.5
251.09550	19.2
265.11084	7.2
269.10632	21.2
283.12207	5.8
293.10706	16.7
311.11697	13.4
323.11655	3.9
325.13528	3.3
371.13629	6.5
389.14896	5.3
413.14520	3.7
415.07196	2.8
457.14841	61.5
457.24026	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.8
56.39240	2.6
56.96559	9.8
67.05509	3.8
69.03420	6.2
69.22682	23.1
70.06596	14.0
75.73801	2.3
78.97632	2.6
79.05482	4.6
81.03424	3.5
81.07056	4.2
83.04986	2.6
84.96032	12.2
85.02909	6.8
86.09715	15.5
88.04009	2.6
89.03961	2.8
91.05478	9.5
93.07040	3.7
95.04978	4.5
95.08598	7.2
97.02876	3.2
98.97592	100.0
105.06998	4.0
106.57288	2.6
106.75452	2.3
107.08600	7.8
109.02850	4.2
109.10179	4.3
110.97597	2.6
112.99141	18.3
116.98640	34.2
119.04937	8.8
119.08598	3.1
120.05267	4.9
120.08134	3.5
127.03878	5.7
128.98592	3.4
129.10226	4.1
131.00188	18.6
131.08574	2.5
133.10103	4.7
134.99629	7.5
135.04427	22.1
136.04750	11.6
136.07619	2.5
137.06053	2.8
140.98598	4.6
144.98146	4.1
149.01311	7.0
158.99664	29.8
162.99113	2.8
163.03891	3.7
165.09082	3.3
172.03120	2.4
173.01204	19.0
177.00706	28.2
191.02289	19.6
191.14297	4.3
201.00681	7.4
201.12349	11.2
208.13358	26.2
208.26257	2.5
208.28482	2.4
209.13698	34.9
209.15446	4.7
219.01799	11.6
221.52368	2.3
229.11841	8.7
243.08820	4.5
251.09566	22.9
257.08041	3.0
265.11215	7.7
268.10745	3.2
269.10684	19.4
277.17758	2.8
283.12238	2.8
293.10663	15.8
311.11639	16.3
323.11713	4.4
344.14569	3.8
371.13693	6.3
389.14584	4.6
413.15594	8.7
453.99069	2.5
457.14792	58.1
457.24036	51.1
457.30084	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01869	2.0
55.05506	3.0
56.96552	1.3
57.03435	1.1
57.07070	2.0
61.02942	0.8
65.03939	0.9
66.11251	0.7
67.05513	3.5
68.99795	0.9
69.03436	18.9
69.07076	5.4
70.06597	2.6
71.04996	1.7
71.13886	0.7
71.14208	0.9
72.08159	1.2
73.02912	1.5
79.05498	3.8
81.03431	11.0
81.07067	6.2
83.04994	8.8
83.08616	1.9
84.08143	1.6
85.02926	6.3
85.06542	2.7
86.09689	2.4
87.00822	2.8
91.05488	4.8
93.07070	7.7
95.04978	2.0
95.08618	9.9
97.02885	7.7
97.06528	2.2
97.10224	0.8
99.04478	4.0
99.08091	1.0
105.01889	1.5
105.07029	5.3
107.08612	19.5
109.02229	0.9
109.02905	12.9
109.06519	7.4
109.10149	3.2
111.08099	9.1
114.57760	0.6
115.05403	0.8
116.07038	1.0
119.08597	5.0
121.02854	1.3
121.06506	1.6
121.10159	15.2
123.08106	3.5
123.11717	2.7
125.09643	27.8
127.03943	9.4
129.10231	0.8
131.08591	7.8
133.10147	9.1
135.08072	22.8
135.11705	6.8
136.08820	0.9
137.06003	1.1
137.09633	1.1
141.07010	1.1
143.08621	1.4
145.04962	2.3
145.10150	3.9
147.04478	0.8
147.11687	3.1
149.09642	15.1
149.13264	4.9
150.10416	3.8
151.11224	1.5
153.09125	8.4
158.10904	4.4
159.08026	1.2
161.09671	1.7
163.03885	1.6
163.11201	6.6
163.14807	4.0
165.12755	2.6
167.10703	9.9
170.97348	0.9
173.13283	23.0
176.11995	2.6
191.14328	97.1
192.14677	1.4
209.15392	100.0
210.15730	1.9
213.03987	0.8
217.45900	0.7
231.04922	3.9
244.75903	0.7
275.16553	1.0
299.16476	1.1
317.17569	0.8
327.39584	0.7
337.01233	0.7
439.19714	2.8
457.21149	9.4
466.93890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.05517	6.9
67.05509	5.7
69.03419	11.6
69.07067	9.2
70.59676	11.6
72.62238	3.2
76.38876	3.8
79.05498	20.5
81.03432	13.1
81.07062	51.9
83.08598	5.6
85.02911	28.0
87.00838	3.6
91.05510	5.9
93.07040	10.4
95.04987	8.0
97.02898	11.8
97.06531	5.7
97.17345	3.4
98.97625	4.7
99.04454	7.9
100.11249	6.9
101.11607	7.3
105.01914	6.5
105.07037	8.2
107.08610	9.9
109.02881	12.2
109.06528	100.0
109.10159	7.8
111.08121	4.1
119.08585	10.2
121.10150	10.2
122.80414	3.4
123.08091	4.0
123.11748	5.5
127.03956	21.8
131.08601	19.5
133.10155	23.1
133.13365	4.2
135.08067	12.4
145.05000	4.8
145.10121	5.5
149.13261	10.3
153.09085	6.2
158.10933	4.5
159.02850	5.2
165.09282	6.6
173.13298	25.5
174.13646	8.5
175.14877	6.0
176.15186	7.4
191.14314	41.0
209.15292	22.4
439.34692	4.6
453.22101	4.3
456.35172	10.7
457.24188	4.9
457.35242	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	457.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43561	0.5
53.03956	2.3
55.01872	1.9
55.05508	1.2
56.64236	0.5
57.03437	1.6
57.07064	0.9
59.04989	0.7
61.02935	1.5
67.05517	2.8
68.99808	0.9
69.03075	0.9
69.03436	12.5
69.07063	2.2
69.90721	2.4
70.06592	1.0
71.04994	1.6
72.08161	0.5
73.02917	1.7
79.05501	2.2
81.03424	11.4
81.07076	4.3
81.42124	0.4
83.04980	2.1
83.08617	0.9
84.04506	0.6
85.02917	16.5
87.00847	6.7
91.03976	0.5
91.05478	2.0
93.07045	2.9
95.04993	2.4
95.08612	4.5
97.02909	5.4
97.06544	0.9
98.97605	1.1
99.04468	3.4
105.01874	3.7
105.07043	4.5
106.96597	0.4
107.08611	5.7
109.02894	6.8
109.06532	6.7
109.10169	3.4
111.08099	0.8
115.03942	0.5
117.01875	1.2
117.07008	0.5
119.08628	3.2
121.06519	1.1
121.10159	11.3
122.07301	1.1
123.08085	5.1
123.11725	3.4
125.89653	0.5
127.03076	0.9
127.03936	9.4
129.01837	1.2
131.08549	1.6
133.10155	4.4
135.08101	2.3
135.11713	1.0
137.09625	10.8
137.13239	1.0
145.04991	3.3
147.02811	0.7
147.11700	1.9
149.09633	5.4
149.13293	5.3
151.11198	45.6
152.11478	0.7
157.10107	0.6
158.10942	0.7
159.02921	3.6
163.03859	1.1
165.12778	39.0
173.13313	2.3
191.14313	4.6
193.15884	5.8
209.15392	100.0
210.15730	1.5
231.05055	2.0
413.17783	0.9
457.16983	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13633	2.4
55.05511	3.1
67.05511	3.1
69.03433	5.5
71.12081	5.3
79.05504	4.8
81.03447	2.9
81.07047	5.4
91.05497	3.9
93.23155	2.5
98.21373	2.6
105.07044	7.7
107.04950	4.0
107.08611	18.0
109.06575	3.1
109.10165	5.5
121.10168	7.6
122.07271	3.1
127.03942	4.9
133.10147	100.0
135.08086	5.4
137.09634	51.0
142.00157	2.1
149.13271	4.5
173.13249	3.4
191.14333	58.7
210.04262	2.7
457.15033	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.2
55.05511	3.5
63.67939	3.4
67.05511	3.3
69.07059	14.4
69.27113	5.6
69.27515	26.2
70.06584	4.6
81.03416	6.9
81.07045	4.3
85.02896	8.9
87.00833	3.2
91.05460	6.4
93.07062	18.5
95.04972	3.8
95.08615	4.2
98.97536	4.6
105.07039	5.8
106.78800	3.2
107.08588	10.8
113.09359	4.0
119.08571	4.8
121.06515	18.6
121.10146	6.8
127.03915	6.2
130.86412	3.1
131.08539	4.9
133.10129	6.4
135.04433	4.7
135.08064	10.0
135.11667	4.8
145.02821	5.0
147.11702	33.7
149.13248	9.2
159.02992	3.1
161.09605	6.4
163.03920	14.6
164.04283	4.6
173.13313	7.6
191.14319	100.0
192.14587	4.9
198.05635	3.3
209.15448	6.1
213.72876	3.1
214.50026	3.6
279.63687	3.6
313.58600	2.9
345.29965	3.2
457.14191	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26487	4.4
52.71471	4.2
53.03963	5.1
55.05503	7.9
65.57285	5.2
67.05496	6.0
69.03438	15.2
69.07083	5.7
69.46335	31.4
70.85307	4.4
73.31744	4.3
79.05531	7.1
81.03427	7.4
81.07054	9.1
83.04964	5.6
85.02910	10.1
86.09689	7.7
93.07040	5.4
95.08633	26.7
97.06524	8.8
98.20814	11.6
99.08102	5.9
101.78513	4.9
104.83225	5.0
105.07053	9.9
107.08599	40.0
109.06547	5.2
109.10158	15.9
119.08613	6.2
121.10176	43.5
123.08054	5.9
125.09624	16.4
125.82613	5.9
127.03895	9.5
129.08925	5.7
131.08626	6.4
133.10107	26.2
135.08073	13.7
135.11702	4.7
137.09602	15.4
149.09663	12.7
149.13264	19.2
151.11188	89.0
163.14813	14.0
165.12758	8.0
173.13307	11.9
191.14313	100.0
209.15367	75.5
306.91873	4.8
421.98727	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
53.98374	0.6
55.01867	1.8
55.05507	2.1
56.96566	0.9
57.03433	1.9
57.07067	2.4
59.04995	0.6
63.80000	0.7
65.03942	0.9
67.05500	3.9
69.03432	16.4
69.07071	5.1
70.06593	3.5
71.04985	2.3
71.06633	0.6
71.07726	1.8
72.08159	2.3
73.02898	1.2
77.32452	0.7
79.05484	4.0
81.03427	8.5
81.07063	7.1
83.04983	9.6
83.08609	1.5
83.97889	0.8
84.08141	1.7
85.02904	7.9
85.06554	2.3
86.09692	2.4
87.00829	3.1
91.05468	4.5
93.07053	5.0
95.04966	2.6
95.08600	8.9
97.02887	6.5
97.06539	1.6
99.04456	3.6
99.08119	0.9
105.01850	1.2
105.07045	5.2
107.04990	0.8
107.08598	15.6
109.02887	11.7
109.06532	7.9
109.10157	2.6
111.08092	7.8
115.95329	0.7
116.07096	1.0
117.07002	1.2
119.08587	5.3
121.02855	2.3
121.06516	2.0
121.10155	12.4
123.08086	3.7
123.11713	2.8
125.09636	24.4
127.03932	10.1
129.07028	0.9
131.08577	6.8
133.10143	8.4
135.08060	17.0
135.11702	5.6
137.05974	0.9
137.09662	0.8
143.08588	1.7
145.04947	2.4
145.10135	4.6
147.04440	1.1
147.11684	2.5
149.09618	14.3
149.13242	4.5
150.10419	2.8
151.07558	0.9
151.11214	1.6
153.09123	9.5
157.10167	0.9
158.10944	3.5
159.08086	0.9
161.09601	1.3
163.03877	1.7
163.11143	5.7
163.14810	5.9
165.12733	2.1
167.10678	7.5
173.13274	21.0
176.11940	2.7
191.14311	93.9
192.14662	1.2
200.16675	0.7
209.15373	100.0
210.15695	1.4
231.04929	3.4
299.16446	0.7
413.17767	0.9
439.19476	4.1
457.20981	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	459.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35703	2.4
79.60509	0.6
93.07030	1.0
98.21471	0.7
101.00909	0.6
130.86398	0.7
139.08115	0.8
164.32996	0.6
193.12029	1.9
195.13692	0.8
203.05264	2.3
211.13066	5.1
211.16151	0.7
221.45201	0.6
227.05299	0.9
243.04807	1.5
245.06342	4.5
250.89726	0.7
253.12924	2.1
265.20105	0.7
271.04263	1.2
287.03769	12.6
289.05325	27.9
373.18295	2.2
415.19446	16.1
459.18420	100.0
460.18634	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	459.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	0.8
56.96551	0.7
58.09270	0.5
67.05532	0.7
68.23124	0.7
69.03455	1.7
69.07069	0.9
70.06593	1.7
71.54877	1.1
72.08160	1.9
79.88456	0.8
81.03429	1.3
83.05022	0.8
84.08166	1.7
85.02896	1.5
86.09705	2.4
87.87180	0.6
91.05505	1.3
98.97634	0.7
109.02903	0.9
112.68861	0.8
121.02882	1.0
124.38453	0.6
127.03969	1.0
129.42200	0.6
143.60664	0.6
145.02881	0.9
147.04456	0.8
163.03979	0.8
189.54224	0.6
211.13106	6.4
219.01834	0.7
239.12500	1.3
245.65021	0.7
271.62238	0.6
297.14478	0.8
373.18484	9.2
378.10965	0.8
399.16220	0.7
415.19446	36.1
423.16718	1.0
441.17102	1.1
459.18466	100.0
460.19012	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01875	4.4
55.05511	6.8
56.96572	2.1
57.03434	4.2
62.09676	1.5
65.03945	1.5
67.05499	12.5
69.03443	7.4
69.07079	7.1
70.06595	29.5
71.05014	1.9
71.08714	2.5
71.09059	2.4
72.08134	2.4
73.02885	1.4
77.01383	1.6
79.05494	7.5
81.03423	8.9
81.07070	12.4
83.04975	2.3
83.08623	5.1
84.04512	4.5
85.02911	14.3
86.09718	4.9
86.10366	1.4
87.00834	3.8
91.05483	7.7
93.07057	8.5
95.04951	2.7
95.08620	15.5
97.02895	4.5
97.06544	6.0
97.10182	5.1
98.21638	1.3
99.08092	1.5
102.05547	2.1
105.01852	4.3
105.07043	6.4
107.04946	2.6
107.08588	10.3
109.02895	4.1
109.06541	5.3
109.10165	24.1
111.08074	12.2
117.07027	2.5
118.06882	10.2
118.92896	1.4
119.08586	15.8
121.06524	3.7
121.10130	9.9
123.08061	11.6
123.11715	6.5
125.09666	6.1
127.03920	9.3
129.06993	4.7
130.04974	2.0
131.08536	2.7
133.06558	1.7
133.10144	11.6
135.08115	2.7
135.11713	15.6
137.03767	1.6
137.09630	24.3
138.10417	2.2
139.11232	2.4
143.08557	2.0
145.05173	2.0
145.06485	6.7
145.10094	1.7
147.04498	1.7
147.11684	3.1
148.06024	4.9
149.13283	4.2
151.11171	2.3
151.14822	2.4
159.09189	2.2
163.03908	3.3
163.09079	1.8
165.06946	1.6
165.09134	4.7
165.12767	3.4
169.10196	1.7
175.14825	21.4
175.16298	2.3
181.10101	2.9
193.12270	3.8
193.15892	20.3
194.07199	2.1
209.09586	15.1
211.16943	100.0
212.17336	3.0
219.08276	1.9
220.38828	1.6
223.11182	3.2
228.13165	1.8
229.07816	1.8
237.09120	3.5
246.12686	1.6
251.10701	3.4
254.93916	1.7
269.12009	1.6
273.14999	2.4
274.12192	2.3
297.07651	6.8
297.11136	36.9
314.66666	2.0
349.21478	2.8
367.22595	6.9
373.18625	7.3
385.24020	7.6
415.19562	23.6
459.17993	65.3
459.27411	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	459.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36263	2.2
53.03940	7.4
55.01864	7.8
55.05518	20.5
56.96563	6.4
57.03431	8.9
59.04996	2.8
61.02938	2.5
62.62199	2.5
64.37626	2.4
67.05511	19.1
68.99768	2.5
69.03439	18.4
69.07073	19.7
70.06577	4.5
71.05012	15.3
72.08147	2.8
79.03842	2.1
79.05498	22.5
79.63258	2.6
81.03426	42.0
81.07068	35.9
83.04980	6.2
83.08622	17.7
85.02914	33.6
87.00840	14.9
91.05493	20.3
93.07053	30.8
93.70900	2.3
95.04973	17.1
95.08627	30.0
97.02889	14.8
97.06543	22.4
97.10169	7.6
98.97542	2.7
99.04496	12.2
99.08108	2.5
103.05437	2.6
105.01861	11.0
105.07050	22.7
107.04987	13.6
107.08601	25.0
108.24258	2.2
109.02900	12.5
109.06530	15.4
109.10174	18.3
111.04431	2.4
111.08066	7.5
111.11712	3.4
115.05461	3.1
115.07571	10.7
117.07006	9.1
118.06915	2.8
119.08597	20.7
121.02861	3.8
121.06486	8.4
121.10169	16.1
123.08122	11.7
123.11726	25.8
125.09629	8.0
127.03926	17.7
129.07002	8.4
131.08575	8.7
133.06497	6.2
133.10144	45.4
135.08032	3.5
135.11696	34.4
137.09604	8.9
141.12769	2.5
145.04973	5.4
145.06462	9.6
145.10106	3.9
147.04343	2.8
147.08075	5.8
147.11716	11.3
149.09726	2.6
149.13257	18.1
153.12791	4.5
157.10138	4.5
159.02829	5.5
159.11708	3.6
161.06026	3.5
163.03911	3.8
163.07542	5.2
165.09145	8.9
165.12772	2.9
167.07036	4.0
173.09564	2.3
175.11189	7.3
175.14835	57.7
181.10143	3.0
189.11267	4.3
193.12263	13.4
193.15900	57.5
195.10110	3.5
195.13931	2.3
203.14314	2.3
203.91217	2.5
209.09610	7.1
209.15314	3.0
211.16953	100.0
215.14230	3.0
231.04926	2.8
233.15335	2.7
237.09305	2.5
273.14807	5.1
297.11188	16.9
339.23114	3.9
349.21570	8.5
357.24335	4.5
367.22644	18.0
385.23697	21.0
403.24680	5.4
441.26263	3.3
459.16797	9.2
459.21606	7.6
459.27478	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
53.71093	1.0
55.01880	9.3
55.05514	27.9
57.03441	5.3
57.03672	0.8
57.07069	1.0
61.97905	0.9
65.03941	3.5
67.05508	41.0
69.03443	4.8
69.06754	1.4
69.07069	10.3
69.20716	1.0
70.20925	2.8
71.04993	4.0
79.01847	0.9
79.05499	42.6
81.03424	79.6
81.07061	33.8
83.04989	12.6
83.08623	21.5
85.02896	3.0
85.06590	1.1
87.62675	1.3
91.05489	46.2
93.07050	22.7
95.04972	30.5
95.08607	17.2
97.02894	3.1
97.06538	4.7
97.10179	16.1
99.04493	1.4
99.08085	2.1
103.05430	1.8
105.04513	1.3
105.07037	29.3
107.04962	18.7
107.08598	14.7
109.02877	1.6
109.06539	6.3
109.10152	8.0
111.04452	2.3
111.08099	7.6
115.05476	4.6
117.07017	13.2
119.04920	2.0
119.08585	23.1
121.06526	11.3
121.10142	7.1
123.04447	2.4
123.08128	5.3
123.11707	2.7
125.06056	1.3
125.09646	10.8
127.03886	1.2
127.07678	0.9
128.06232	2.7
129.07019	18.6
131.04929	4.8
131.08569	20.3
133.06525	9.0
133.10139	16.4
135.08044	4.9
135.11688	3.6
137.06003	1.4
137.09653	2.8
141.06993	3.4
142.07785	3.4
143.08586	6.3
144.05725	1.3
145.06493	20.9
145.10124	7.5
147.04460	1.3
147.08066	8.9
147.11699	14.4
149.05959	1.8
149.09633	7.4
149.13316	1.2
151.11206	1.1
153.07004	1.5
153.09111	3.1
153.12701	1.1
155.08554	4.5
157.06523	5.1
157.10153	14.4
159.08115	5.4
159.11703	3.5
161.05991	2.7
161.09596	2.9
163.11192	3.2
165.06934	1.4
165.12796	2.9
167.08565	2.9
168.09331	1.0
169.06519	1.7
169.10136	3.6
171.08035	5.1
171.11734	3.8
172.30101	1.0
173.09668	1.9
173.13269	1.5
175.11208	13.4
181.10118	2.5
182.08250	1.5
183.07974	2.1
183.11754	2.0
185.09682	2.2
185.13284	2.9
187.11145	2.2
187.14906	1.4
189.11237	5.9
189.12842	2.5
193.12251	42.0
195.08037	1.7
195.11688	3.1
197.09599	2.1
197.13321	3.2
199.11201	3.0
201.12791	1.8
205.12271	1.5
209.09760	1.2
211.11217	1.6
211.13249	2.1
211.16939	1.9
213.12825	3.1
215.14348	4.1
217.12315	1.3
223.11339	1.2
225.12791	2.6
225.16301	1.0
227.14392	3.2
228.08725	2.1
231.13879	2.7
233.15408	2.6
235.11217	1.8
237.12769	2.9
243.13934	1.8
245.15427	2.2
249.14981	3.8
251.14365	1.5
255.13837	3.5
257.15311	1.7
267.16040	1.7
271.17105	1.7
273.14832	11.9
287.16418	2.3
299.16516	1.1
321.21991	1.4
331.20535	1.8
339.23337	5.8
349.21631	13.0
357.24182	4.9
367.22711	36.1
377.56482	1.1
385.23746	33.6
401.85880	1.0
403.24774	7.1
405.24353	1.5
441.26425	5.1
459.27448	100.0
460.27939	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.0
55.01886	6.6
55.05267	1.8
55.05516	26.7
57.03444	6.8
65.03934	2.6
67.05508	30.9
69.03428	3.5
69.07075	9.3
70.20288	4.2
71.04988	3.5
79.05497	37.7
81.03425	92.6
81.07060	26.1
83.04985	4.5
83.08141	1.8
83.08624	24.6
91.05485	34.4
93.07053	19.5
95.04977	29.7
95.08609	11.6
97.02905	2.2
97.06536	3.1
97.10178	14.8
98.21379	1.3
105.07037	25.9
107.04967	16.3
107.05636	2.0
107.08592	12.1
109.06500	5.6
109.10159	6.1
111.04476	2.7
111.08073	7.8
115.05473	5.6
117.07028	10.3
119.04984	2.0
119.08590	15.8
121.06530	10.9
121.10157	8.4
123.04409	3.2
123.08055	4.1
125.09643	10.4
128.06252	3.5
129.07008	22.3
131.04927	7.4
131.08571	15.9
133.06523	7.8
133.10123	5.9
135.08083	4.2
135.11674	1.4
137.09639	2.8
141.06995	4.4
142.07774	4.9
143.08536	7.2
144.05708	2.5
145.06503	26.4
145.10129	7.0
147.04375	1.3
147.08054	9.8
147.11716	7.6
149.09593	6.9
152.76308	1.0
153.09132	3.3
155.08549	4.4
157.06516	5.0
157.10117	14.3
159.08090	6.3
159.11751	3.0
161.05965	5.3
161.09644	4.4
163.11220	1.4
163.70085	1.5
165.07109	1.7
165.12793	2.7
167.08571	2.6
169.06516	1.8
169.10118	3.0
171.08076	5.6
171.11700	2.4
173.09576	2.6
175.11211	12.6
181.10139	2.5
183.08138	2.5
183.11603	2.1
185.09619	3.0
185.13274	2.5
187.11209	1.8
189.11284	5.0
189.12830	2.0
193.12253	52.5
195.08179	1.7
195.11728	4.0
197.09651	2.7
197.13303	2.0
199.11368	1.8
201.12715	1.5
203.10837	1.3
203.14340	1.2
207.11740	1.3
209.13290	1.5
211.11314	2.1
211.13200	1.5
213.12932	1.5
215.14375	4.0
217.12157	1.4
223.11252	2.0
223.13185	1.8
225.12726	1.8
227.14360	2.7
231.13815	2.6
233.15376	3.0
235.11324	1.5
237.12755	4.5
239.14305	2.3
243.13794	2.1
249.14914	5.8
255.13855	7.0
257.15427	2.0
269.15332	1.8
273.14844	16.4
283.16922	2.3
287.16486	4.0
321.22131	1.4
331.20551	1.4
336.72357	1.4
339.23181	7.7
349.21637	16.8
357.24350	5.0
367.22720	42.3
385.23764	33.6
385.28448	2.1
386.23782	1.4
386.80722	1.2
403.24863	8.8
405.24246	2.6
441.26395	5.0
459.27463	100.0
460.27884	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	459.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.5
55.01867	7.7
55.05518	68.5
57.03436	10.0
67.05509	58.9
69.03422	7.7
69.07079	19.2
71.55694	5.9
79.05505	58.7
81.03419	6.1
81.07072	45.9
83.04983	8.2
83.08646	27.4
83.62476	3.4
91.04953	6.0
91.05485	55.3
93.07060	26.0
95.04978	11.2
95.08617	20.3
97.06551	6.2
97.10181	44.4
103.05463	23.5
105.03397	4.1
105.07057	45.3
107.04964	10.2
107.08627	29.3
109.10162	13.6
111.08109	7.7
115.01656	3.6
115.05484	8.3
117.07031	64.3
119.08604	23.8
121.10184	6.9
123.08055	4.1
125.09637	38.2
126.38551	3.4
128.06247	9.2
129.07014	34.1
131.04956	7.8
131.08588	42.0
133.06516	14.4
133.10164	7.9
135.08067	12.9
141.07008	12.7
142.07825	3.9
143.08591	13.7
145.06505	19.3
145.10149	18.2
147.08052	5.0
149.09596	6.2
153.09138	7.2
155.08583	21.0
157.06496	8.2
157.10170	10.4
159.08157	5.4
159.11671	4.6
163.95651	3.3
167.08617	5.4
169.10144	9.3
171.08144	4.6
171.11676	8.3
173.13353	4.9
181.10103	8.6
183.08078	3.1
183.11754	6.0
185.09596	5.8
185.13225	4.9
187.14902	19.1
189.11241	36.6
189.12737	4.6
193.10184	5.3
193.12292	5.4
197.13313	15.8
199.14952	3.8
213.12764	6.3
215.14333	92.5
223.11301	4.5
227.12747	40.3
227.14558	3.9
233.15416	4.9
241.12233	5.5
245.13844	6.2
259.13458	3.5
271.16934	5.8
273.14905	6.5
316.84650	3.6
321.22043	5.0
339.23340	5.8
349.21613	16.0
367.22665	50.9
385.23862	35.7
403.24738	11.4
428.20401	3.9
438.78772	4.3
441.26382	59.1
459.27414	100.0
460.27359	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01871	13.9
55.05514	75.9
57.03426	9.2
65.03941	2.6
67.05173	4.3
67.05506	56.7
69.03422	7.0
69.07075	17.8
70.00105	7.9
70.00511	4.4
79.05066	4.3
79.05498	63.7
81.03429	18.0
81.07063	47.0
83.04986	7.0
83.08624	34.0
85.06543	3.0
91.05486	47.0
93.07045	28.1
95.04965	10.3
95.08620	21.3
97.06512	5.8
97.10177	51.0
99.08116	2.4
103.05482	23.0
105.07040	41.7
107.04961	11.3
107.08607	29.4
109.06516	4.8
109.10147	12.4
111.08090	6.6
115.05453	13.5
117.07028	60.0
119.04996	3.5
119.08593	23.4
121.06509	8.7
121.10138	5.6
123.08067	3.0
125.09630	43.7
128.06218	8.2
129.07010	35.3
131.04900	8.0
131.08577	47.5
133.06503	13.4
133.10129	9.0
135.08070	14.3
141.06963	10.9
143.04863	2.7
143.08542	17.5
145.06480	20.6
145.10121	20.9
147.11655	5.7
149.09639	8.3
153.06981	3.0
153.09157	6.5
155.08565	18.9
157.06496	6.9
157.10139	8.4
159.08057	7.6
159.11742	5.8
161.09564	2.6
165.06998	3.3
167.08553	6.6
169.10097	13.8
171.08046	9.4
171.10272	5.0
171.11729	9.6
173.09639	5.1
173.13272	4.0
175.11179	3.8
176.47359	2.4
179.08527	3.0
181.10167	5.2
183.11760	4.4
185.09624	4.1
185.13177	4.7
187.14859	21.0
189.11235	28.1
193.12254	6.1
195.11739	5.6
197.13313	21.3
199.11154	4.5
205.12244	3.2
209.13098	3.1
213.12740	9.2
215.14331	100.0
221.13242	3.5
225.12599	4.5
227.12755	33.3
233.15421	3.7
239.14378	3.8
241.12273	3.9
245.13698	5.4
253.15909	3.4
257.15396	3.6
269.15472	3.1
271.16956	9.4
273.14807	4.2
289.17917	4.0
309.46289	2.3
315.16068	3.0
321.22116	3.0
331.20560	3.6
339.23267	9.8
349.21628	17.4
367.22714	46.5
368.23248	2.9
377.24692	2.5
385.23792	31.2
403.24686	7.0
405.24454	2.9
441.26382	64.9
459.27414	96.7
460.27615	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	460.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01870	2.3
57.03445	4.3
57.07081	14.8
61.02934	7.6
63.04192	1.7
63.04493	16.3
69.03436	18.0
70.06586	2.9
70.59042	2.7
71.04988	2.2
72.08151	1.1
73.02906	4.2
81.03429	6.6
84.04498	1.2
85.02912	100.0
86.09729	5.1
87.04458	2.4
91.03948	5.1
95.08809	0.9
97.02902	27.5
98.97593	1.2
99.04455	2.7
103.03908	1.0
109.02869	7.6
115.03942	1.0
116.58888	1.0
119.10704	79.6
127.03928	25.1
144.06569	1.2
145.04971	42.9
147.07712	1.2
163.06018	14.9
176.41603	0.9
219.01836	1.4
228.30353	1.0
237.02762	1.4
271.06042	2.5
299.05435	1.1
317.09045	2.9
359.10266	1.3
393.88126	1.0
401.11179	1.0
460.18497	1.9
460.28552	1.0
461.38254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40778	0.5
56.05038	3.7
56.96585	0.9
57.03437	0.8
58.06601	2.6
59.04994	0.6
64.10258	0.5
69.03436	1.2
69.07072	9.7
70.06588	5.9
70.67513	0.6
70.91354	0.6
71.54662	0.7
72.08156	2.4
74.06084	17.2
83.06103	0.9
84.04507	7.4
84.08150	2.7
85.02908	2.3
86.03886	0.5
86.06059	1.1
86.09710	100.0
87.10045	1.3
93.07047	0.6
96.04475	0.9
96.08111	0.7
98.97597	1.1
101.07131	3.2
102.05602	0.6
107.08633	0.8
109.02848	0.7
112.11238	3.4
113.07148	3.3
116.98656	0.7
118.55749	0.6
124.11270	1.1
126.12935	0.7
127.03983	0.7
129.10281	0.8
130.05017	0.9
131.08189	1.3
131.80019	0.6
141.06641	1.2
141.13893	1.1
142.12329	1.6
143.11806	4.8
145.03000	0.9
147.07761	0.5
153.13861	0.8
154.15863	0.6
159.07646	4.4
166.24443	0.6
169.13368	6.2
170.99664	0.7
171.11304	9.4
171.35484	0.6
173.12892	1.1
177.05455	1.0
187.10826	1.6
187.14450	11.6
189.12366	11.3
197.12878	7.1
215.13919	6.8
226.15535	10.0
227.13953	1.9
228.13475	1.1
244.16580	1.0
254.15015	13.0
255.15407	0.9
256.03757	0.8
271.06055	3.6
272.16064	21.4
289.05426	0.7
290.17218	1.7
299.05609	0.8
313.22336	1.6
329.18268	2.7
339.23935	11.8
347.19461	1.3
357.24963	5.7
367.23358	8.5
385.24573	2.0
416.19809	0.7
436.53485	0.7
442.26627	5.1
460.18610	6.3
460.27539	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	461.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01871	0.9
56.92044	0.7
56.96562	1.6
57.03427	0.8
65.03930	2.7
65.04248	0.7
67.05498	1.1
69.03429	2.7
69.07066	1.1
69.78207	0.8
70.06565	0.8
71.04978	1.1
71.54578	0.6
81.03428	8.8
81.07052	2.0
84.04486	0.8
84.08170	1.0
85.02907	4.2
86.09696	1.3
89.03943	1.2
91.05502	1.6
93.07059	0.7
95.04974	5.3
97.02892	5.1
97.06546	1.4
98.97602	1.8
99.04429	1.5
105.07031	1.5
106.02912	1.6
107.04967	1.1
107.08624	0.8
109.02903	4.2
109.10185	1.1
111.04474	1.6
117.03403	1.1
120.08135	1.1
121.02877	100.0
121.10143	1.3
122.03224	0.7
123.04446	9.1
124.03960	3.3
127.03950	2.4
133.02870	7.9
135.04390	1.5
135.11725	0.7
139.03908	11.8
145.02798	1.6
145.05023	0.8
147.04427	0.8
151.03868	3.6
151.07571	1.0
158.79630	0.7
163.03989	1.1
177.05479	3.1
179.03409	68.8
180.03752	0.8
191.06937	1.3
199.67741	0.8
218.77255	0.7
224.08611	0.8
231.09032	1.0
237.02834	0.9
238.10107	0.8
239.10680	0.9
257.04538	1.5
265.07111	8.5
266.27414	0.8
267.09048	1.2
268.08170	2.0
271.06140	2.6
272.06726	3.6
281.11743	2.2
283.08264	2.1
299.05478	1.1
299.12759	1.6
300.06308	14.6
315.08633	29.2
375.12872	0.8
417.14343	1.4
417.20822	1.3
429.14288	1.3
443.13177	1.0
461.14200	2.2
461.20190	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	461.1439
Annotation	Pectolinarigenin 7-rhamnoside
Peak:m/z	Relative Intensity
53.03945	0.4
55.01863	0.3
55.05510	0.4
56.96582	0.5
57.03432	0.4
60.33970	0.3
61.02929	0.5
67.05511	0.5
69.03439	0.8
69.17124	0.3
69.19830	2.0
69.20261	1.0
70.06602	1.2
72.08160	1.0
73.02929	0.3
74.89143	0.3
75.39739	0.3
81.03445	0.7
81.07068	0.8
85.02911	1.3
86.09715	1.0
86.73819	0.3
89.03889	0.5
91.03961	0.6
91.05505	0.8
93.07039	0.5
95.04967	0.7
97.02908	1.0
98.75351	0.3
99.00789	0.4
100.11321	0.4
106.02946	0.3
107.04945	0.3
107.90508	0.3
109.02898	0.7
109.10183	0.3
111.04431	0.5
116.07109	0.3
117.03429	0.3
119.88356	0.3
120.08113	0.9
121.02882	0.8
124.03961	1.0
127.03945	0.7
133.02864	0.4
133.10104	0.7
135.04436	0.7
145.02844	0.8
147.04414	0.9
148.05179	0.3
149.01218	0.3
149.02382	0.3
151.07559	0.6
151.11253	0.3
153.01862	0.6
155.07089	0.5
161.09569	0.4
163.03902	2.4
164.04269	1.5
165.01871	0.4
177.01903	0.5
177.05518	0.8
179.03404	0.5
191.03387	0.6
219.03050	0.6
225.11237	0.3
229.04996	2.3
239.10753	0.4
245.18596	0.3
247.14388	0.4
257.04492	4.5
271.06158	1.6
272.06808	9.4
285.04022	0.9
299.05688	1.7
299.09283	0.7
299.12729	0.8
299.15533	0.4
300.06296	37.6
301.06573	0.7
308.07037	0.4
315.08621	100.0
316.08939	1.9
383.11621	0.4
440.68048	0.3
461.14371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
57.03433	2.7
65.03948	1.7
67.05499	3.6
68.99818	2.4
69.03426	4.4
69.07136	1.5
70.78651	3.6
70.79010	1.6
73.02910	2.7
79.05489	6.2
81.03429	12.6
81.07046	4.8
83.04970	2.4
85.02912	5.0
89.12949	1.4
91.05476	6.0
93.07050	3.2
95.04976	11.4
95.08620	1.7
97.02918	8.8
99.04428	1.8
103.03948	2.6
103.05466	1.7
105.07037	6.1
107.04961	2.9
109.02874	7.7
119.04964	2.0
119.08537	3.1
121.02877	17.9
121.10133	2.8
123.04448	12.7
127.03960	1.7
131.05017	1.7
133.02850	1.5
133.10143	1.8
135.04430	4.9
136.90717	1.5
137.02374	2.3
139.07556	1.5
147.04404	5.9
147.11714	2.4
148.05183	1.8
149.02377	3.9
149.09569	1.9
151.03899	3.8
151.07568	4.2
153.01846	13.4
163.03934	22.9
163.07539	9.7
165.01857	57.4
165.03259	3.0
165.05467	9.6
165.09152	5.1
175.03879	2.9
177.00439	2.8
177.01863	28.1
179.03401	3.4
181.04912	1.5
183.02917	18.5
187.03917	2.5
189.01865	6.6
191.03410	54.7
191.07040	36.7
193.01459	1.7
193.12227	4.1
195.02890	6.9
195.15541	1.7
203.03424	10.8
205.05009	4.2
207.02885	5.6
209.04408	3.4
215.03442	5.9
217.01370	2.1
219.02913	100.0
220.03249	1.8
225.14798	1.8
231.02890	20.7
233.04532	3.9
237.03935	4.0
243.02965	8.0
245.04391	1.9
249.03989	15.4
249.14748	2.1
253.12244	1.5
261.03970	26.6
267.15967	7.1
279.04968	18.7
297.06146	23.4
299.09296	1.9
299.12784	2.7
300.06232	1.8
315.08728	1.9
317.10248	3.2
329.10226	27.1
341.10263	28.8
383.11295	37.1
395.11215	10.5
401.70718	1.6
407.11145	4.0
413.12265	3.9
425.12305	6.1
443.13373	8.0
461.14529	13.6
461.25253	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	461.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.7
66.44415	0.7
67.01575	1.0
67.05422	0.9
70.79035	1.6
79.05438	1.2
81.03396	0.8
81.07008	1.2
85.02901	0.9
116.56048	0.6
119.08533	0.9
169.04706	0.7
213.14635	14.1
235.36491	0.8
241.14099	9.8
255.15564	0.9
357.18808	4.1
375.19901	26.5
376.20172	1.0
417.20972	89.0
418.21347	3.3
461.19974	100.0
462.20255	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42655	0.5
55.05507	1.0
61.65598	0.6
67.01643	0.7
67.05499	1.1
69.07059	1.1
70.59167	1.5
79.05495	0.7
80.87389	0.6
81.03415	1.3
81.07077	0.9
83.08608	0.6
85.02899	0.7
85.87830	0.6
86.09722	0.7
86.79935	0.5
91.05479	0.7
93.07033	1.0
95.08620	0.7
97.06525	1.5
107.08602	0.9
119.08616	0.8
119.49546	0.5
121.10163	0.7
125.09666	0.6
163.03874	0.8
178.12323	0.6
185.04274	0.8
195.13567	0.7
213.14641	10.4
215.07043	0.6
220.32402	0.5
241.14122	6.8
255.15598	0.7
259.09686	1.2
271.06018	0.9
341.19220	0.7
357.18839	3.2
369.24060	0.6
375.19940	26.7
417.20969	61.7
418.21390	2.1
461.19958	100.0
462.14096	0.5
462.20261	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51086	2.2
53.03944	13.9
54.40258	2.2
55.01875	16.9
55.05298	2.5
55.05518	27.4
57.03422	9.5
57.07066	3.5
59.04990	3.5
61.02918	6.9
62.84018	2.4
63.95551	2.5
67.05516	11.1
68.99796	5.1
69.03083	4.9
69.03439	66.8
69.07082	46.5
71.05003	14.3
71.28118	3.6
73.02910	10.3
79.05493	5.4
81.03433	60.0
81.07069	24.2
83.04981	14.2
83.08611	7.7
85.02917	100.0
85.03435	5.5
85.06557	17.7
87.00846	39.4
87.26448	3.1
88.01115	2.5
88.46922	3.1
91.03960	4.2
91.05514	3.9
93.07038	13.3
95.08621	38.6
97.02912	34.0
97.06534	12.3
97.10165	11.1
98.97602	3.8
99.04464	28.2
99.08099	32.6
105.01869	26.8
105.07011	4.5
107.08601	23.9
109.02896	65.6
109.10165	15.5
111.11758	11.1
113.09651	9.0
117.01855	2.5
121.10170	27.4
123.11700	6.5
125.09624	9.5
126.38931	2.5
127.03937	96.1
129.01849	6.3
131.04927	3.5
135.11752	11.1
137.13280	16.4
139.11195	9.7
145.04976	31.6
147.02893	6.4
149.13254	4.6
151.14857	3.1
153.12755	21.8
159.02899	31.3
165.09029	2.9
177.16405	70.1
186.05360	2.3
189.03935	2.9
195.17462	67.8
213.03979	4.9
213.18513	52.1
231.04985	17.4
249.05933	2.3
265.21783	2.4
299.09079	2.3
461.23813	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62396	1.6
51.02383	1.7
53.03947	7.8
55.01863	6.5
55.05274	1.9
55.05516	29.4
56.96563	1.7
57.03448	9.4
64.83744	1.6
65.03961	2.3
67.05509	62.3
69.03433	3.6
69.07072	19.3
69.71474	7.4
71.04994	4.9
79.05495	50.5
81.03420	65.9
81.07063	61.1
81.07455	1.2
83.04993	11.4
83.08623	21.3
85.06543	4.4
91.05486	44.8
93.07047	47.7
95.04974	34.3
95.08609	27.1
97.02932	2.8
97.06532	11.2
97.10169	7.5
98.20840	3.0
101.94080	1.5
103.05493	2.3
105.03387	1.7
105.04516	1.6
105.07035	31.3
107.04982	14.2
107.08607	29.3
109.06522	7.0
109.10184	8.2
111.08082	9.1
115.05460	3.8
116.06335	2.1
117.07029	19.1
119.04942	3.8
119.08590	22.2
121.06535	12.3
121.10169	15.8
123.08057	5.9
123.11709	3.2
125.09632	7.6
128.06206	4.0
129.07018	14.8
131.04947	3.0
131.08577	24.6
133.06494	6.3
133.10127	15.3
135.08075	8.2
135.11707	5.8
137.09615	2.9
139.11107	2.7
141.06995	2.8
142.07780	3.9
143.08577	8.9
145.06467	7.7
145.10156	6.6
147.04443	2.7
147.08052	6.4
147.11670	8.6
147.75974	1.7
149.09662	8.6
149.13268	17.7
155.08572	5.4
157.06499	2.3
157.10106	11.1
159.08084	5.3
159.11726	11.2
161.09683	2.0
163.11200	3.8
165.12749	1.9
169.10176	5.0
171.08061	4.2
171.11682	3.3
173.13313	4.1
175.11198	9.3
177.12723	6.6
183.11740	3.1
185.09682	2.1
185.13364	2.5
187.14780	2.1
189.11237	6.2
193.12238	19.6
195.13878	5.1
197.13289	2.5
199.11293	2.1
199.14934	2.6
201.12666	1.7
213.12637	2.1
213.14711	2.2
217.15933	5.0
219.13882	2.2
225.12740	2.2
227.12657	2.5
229.16019	2.2
231.13864	3.2
233.15485	2.2
249.14861	4.5
275.16537	2.2
277.11099	1.9
287.16473	2.0
299.91177	1.7
333.22195	2.2
341.24957	2.3
343.22794	5.5
351.23221	10.8
369.24200	25.8
387.25250	11.8
405.26132	2.8
417.26501	7.0
429.34869	1.8
443.28012	20.3
461.29010	100.0
462.29047	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	462.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
65.03926	2.1
69.03419	4.0
78.03460	7.5
80.05025	2.7
81.03431	6.9
85.02907	3.9
86.09712	1.9
86.41013	0.8
89.03921	8.7
91.04966	1.2
91.05489	12.1
93.03428	5.1
93.06976	0.8
95.04973	2.4
96.04485	2.8
97.02892	2.9
99.04459	1.2
101.27763	1.1
106.02215	1.8
106.02923	27.9
109.02871	5.8
109.93960	1.0
111.04418	5.1
117.02628	1.5
117.03397	23.8
119.04945	9.5
121.10189	0.8
124.03965	77.1
125.06002	11.9
127.03909	3.8
134.03668	1.0
135.04417	1.2
145.02863	52.5
147.95963	0.9
149.05978	6.2
151.07558	100.0
152.07986	1.4
153.05475	37.9
153.95021	0.9
162.03127	1.2
163.03912	1.2
177.05484	74.3
195.06560	18.3
250.07137	9.9
268.08185	53.1
286.04654	3.1
301.07114	10.2
444.13058	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	462.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.2
57.07071	6.1
59.36982	3.7
67.05504	15.5
69.07082	18.0
69.94807	14.7
71.04979	14.1
71.08644	4.8
79.05521	9.1
81.07067	54.8
83.08620	14.4
85.06544	12.5
85.63499	3.7
91.05473	7.8
93.07053	33.8
95.08614	81.6
97.10167	6.2
97.40986	3.8
99.08131	4.4
105.07053	23.5
107.08603	39.3
109.10168	42.1
111.08079	4.1
113.09679	9.4
119.08586	31.0
121.10149	35.8
123.11722	22.9
131.08571	7.5
132.04819	12.4
133.10153	35.2
135.08105	3.7
135.11700	21.6
137.13258	10.5
145.10133	7.5
147.11685	25.0
149.09567	7.1
149.13261	24.3
151.11168	7.4
159.11725	14.3
161.13292	17.0
162.50879	3.6
163.14818	25.4
167.10687	4.1
173.13252	10.6
175.14836	23.4
177.16446	5.2
181.12329	10.4
187.14862	12.2
189.16411	21.2
190.49957	4.2
191.17999	7.8
192.11188	4.0
193.15939	6.1
195.13698	4.1
201.16438	9.7
203.17899	18.2
205.15904	4.0
205.19534	3.9
207.17511	17.2
215.17871	3.5
217.19498	5.6
219.17418	5.5
221.19025	10.3
223.17006	6.1
229.19223	4.1
231.21045	4.0
237.18504	9.1
257.22626	4.3
263.20206	4.0
271.23965	4.4
301.07153	6.8
375.32706	4.0
391.33606	4.8
409.34708	40.7
427.35760	96.2
445.36819	100.0
458.22226	4.2
462.25970	14.4
462.32547	4.1
462.39404	11.6
463.37576	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	463.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05564	0.0
67.05504	0.0
69.03423	0.0
69.35715	0.1
69.36122	0.3
81.03414	0.1
85.02905	0.1
87.99706	0.0
93.07059	0.0
98.21555	0.1
106.02791	0.0
149.05942	0.1
153.01816	0.4
175.04074	0.0
185.05838	0.0
229.04965	0.3
257.04593	0.2
258.05252	16.7
259.05701	0.3
269.04526	0.1
273.07281	0.0
286.04730	37.5
287.05069	0.7
301.07074	100.0
302.07416	1.8
302.10904	0.1
463.12451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
62.47434	0.2
71.34814	0.4
72.22446	0.3
73.35173	0.2
78.13363	0.3
96.59046	0.3
99.76829	0.2
120.12259	0.3
124.01552	0.4
134.03677	0.7
137.02377	0.3
137.12614	0.2
147.44017	0.2
152.01086	0.3
153.01836	1.3
164.36957	0.2
167.03362	0.5
170.02135	0.3
229.04962	0.6
230.05702	0.3
250.54967	0.3
258.05273	6.2
258.07858	0.5
269.04474	0.4
285.03964	2.6
286.04742	32.5
287.04910	0.6
301.07089	100.0
302.07471	1.8
463.12137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.124
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
54.19130	0.1
68.29842	0.1
70.99905	0.3
86.86073	0.2
87.41520	0.1
97.32765	0.1
102.20771	0.1
106.81180	0.1
108.62056	0.1
132.95593	0.2
153.01891	0.4
190.81108	0.1
229.04999	0.6
257.04645	0.2
258.05273	18.0
259.05621	0.4
286.04742	37.3
287.05106	0.5
301.07089	100.0
302.07391	2.5
417.44583	0.1
443.60004	0.2
463.12372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12092	0.1
59.67623	0.1
85.02934	0.1
93.07078	0.1
102.77721	0.1
109.28007	0.1
120.41414	0.1
125.90926	0.1
149.06010	0.2
153.01811	0.5
157.69370	0.1
212.97408	0.1
229.04918	0.4
257.04504	0.1
258.05267	18.5
259.05731	0.3
286.04739	37.4
287.05090	0.8
301.07083	100.0
302.07437	2.5
443.73083	0.1
463.12210	0.5
486.51569	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	463.179
Annotation	Glu Glu Trp
Peak:m/z	Relative Intensity
54.92963	0.6
66.83038	0.4
67.81168	0.5
70.01053	2.5
98.20743	0.6
98.97608	0.8
108.40716	0.4
182.35258	0.5
221.05139	0.6
224.00920	0.6
258.05322	0.6
286.04703	1.5
289.29083	0.6
301.01187	0.5
301.07120	5.5
301.12592	3.5
305.07990	0.6
365.10580	0.7
463.17935	100.0
464.18439	1.2
483.65839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01869	7.6
55.05516	19.3
56.96569	4.0
57.03422	5.6
57.07069	2.4
60.22603	1.7
65.03929	5.0
67.05511	71.6
69.03429	7.7
69.07076	19.5
70.01169	3.8
70.01573	5.9
71.04996	11.2
79.05072	2.6
79.05501	41.6
81.03426	100.0
81.07066	59.4
83.04998	11.3
83.08218	1.8
83.08636	20.7
85.02895	3.3
85.06548	9.1
91.05491	64.7
93.06485	1.9
93.07056	32.5
95.04980	36.5
95.08620	12.5
97.02879	5.2
97.06525	10.8
97.10145	4.7
99.04430	3.3
103.05496	1.8
105.04516	2.1
105.07043	55.4
107.04972	11.8
107.08604	45.1
109.06532	11.2
109.10166	71.4
111.04488	1.7
111.08126	8.4
113.06021	3.9
114.73589	1.4
115.05454	4.0
115.07580	1.6
117.06992	8.0
119.04923	3.3
119.08603	16.9
121.06493	4.5
121.10130	7.6
123.04409	3.3
123.08073	3.7
123.11709	13.3
125.09649	3.9
127.07537	3.5
128.06207	3.0
129.06999	11.9
131.08549	13.9
132.09000	1.5
133.06488	4.2
133.10149	95.7
135.08041	2.0
135.11699	8.5
137.09595	4.8
142.07762	2.9
143.08551	2.7
145.02899	1.9
145.10098	5.0
147.04442	2.8
147.08099	3.6
147.11665	6.4
147.89787	1.6
149.09616	4.4
151.11194	50.3
157.10155	10.6
161.09625	2.6
163.11235	9.0
165.12827	2.1
169.12276	14.8
173.09622	2.4
175.11211	11.6
179.10684	5.9
193.12265	43.1
203.03539	2.1
215.12836	4.8
218.07401	1.9
219.13766	3.2
227.12817	9.9
249.14822	3.2
253.14366	53.6
257.04364	5.4
258.05258	2.1
286.04688	10.5
301.07123	31.0
325.21732	2.7
343.22665	3.9
347.08914	1.6
365.16428	2.8
371.22180	6.6
389.23242	4.8
403.07938	2.6
431.07526	6.8
445.25726	17.1
463.10294	19.1
463.20416	3.5
463.26865	67.4
464.27219	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	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05518	16.7
56.13476	1.8
57.07084	35.6
63.98320	1.5
67.05502	7.3
69.07073	31.1
70.59861	4.6
71.08276	2.7
71.08642	26.3
72.04292	1.7
74.58618	1.5
79.05498	4.8
81.06639	2.1
81.07076	19.2
83.08627	16.2
85.10186	15.0
86.51620	1.5
91.05485	5.2
93.07056	6.9
95.08616	16.8
97.02926	2.1
97.06516	3.0
97.10198	10.9
99.04443	3.8
99.11742	2.6
105.07031	8.4
107.08602	5.3
109.06536	15.2
109.10170	10.8
111.08073	3.0
111.11723	5.5
119.08653	3.1
121.06529	2.9
121.10138	4.5
123.08059	12.6
123.11740	5.3
125.06013	16.0
125.09645	3.1
127.07568	42.1
131.08603	2.3
133.03967	1.6
133.10141	4.5
135.08063	2.7
135.11642	1.9
137.05992	6.1
137.09589	4.4
139.07550	100.0
149.05984	3.9
149.09599	4.1
149.13295	2.2
151.07635	9.0
159.11684	3.0
161.13326	2.9
165.09227	2.4
167.07082	7.1
169.08734	1.9
175.14819	1.9
177.09109	14.8
179.10675	2.9
207.13934	2.6
252.73276	2.0
277.21518	2.0
301.28925	4.2
305.24829	2.1
319.29919	10.8
320.65546	2.2
325.57532	2.2
347.33133	13.8
373.30829	3.2
385.34366	1.9
399.36176	4.0
403.35794	3.0
417.37338	20.0
427.35571	3.2
445.36832	59.5
463.31644	3.1
463.37866	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	463.3788
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03923	1.2
54.08524	1.3
55.01889	1.4
55.05511	14.2
57.07082	29.0
67.05513	6.4
69.07072	19.4
69.52479	9.3
71.08276	2.1
71.08636	23.0
79.05491	4.3
81.07059	18.3
83.08633	14.2
85.10197	13.5
91.05475	4.6
93.07053	6.2
95.05006	1.4
95.08614	12.3
97.06520	4.3
97.10186	9.2
99.04470	1.7
105.07020	5.1
107.08598	5.4
109.06534	12.5
109.10168	7.5
111.08113	1.7
111.11740	5.0
119.08595	3.9
121.10117	2.4
123.08090	11.1
123.11713	2.9
125.06014	10.6
125.09625	1.5
125.13278	1.5
127.07569	36.5
131.08560	1.5
133.10185	3.0
135.08075	2.4
135.11693	1.7
137.06004	4.3
137.09641	1.8
139.07550	100.0
145.10136	1.4
147.11673	3.0
149.06007	3.5
149.09593	1.9
149.13266	1.5
151.07552	5.5
151.11205	1.8
153.09117	1.5
161.13351	2.0
163.07585	1.7
165.09155	2.8
167.07047	4.5
175.11189	2.0
175.14897	1.6
177.09102	12.2
189.09067	1.4
189.12794	1.3
193.12320	1.8
252.31624	1.3
301.06845	2.8
301.28885	3.9
319.29950	9.2
347.33157	17.3
373.30988	4.4
399.36206	2.1
403.35669	2.0
417.37292	18.0
427.35547	3.2
445.36862	33.5
463.37921	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1188
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.03937	0.4
54.47537	0.3
55.05496	0.6
67.01875	0.3
67.05517	1.5
69.07052	0.4
79.05473	1.0
81.03368	0.4
81.07059	0.8
84.56746	0.4
91.05487	2.0
93.07034	0.5
95.04949	0.4
95.08587	0.7
97.06542	0.5
102.04639	0.5
105.07014	0.7
109.10155	0.3
110.03660	0.8
118.04198	0.3
119.04916	0.6
123.04413	0.9
131.04884	0.3
131.28288	0.3
133.06519	0.4
133.10098	0.4
135.04410	0.6
135.11671	0.5
136.05170	1.2
138.06795	0.6
147.04396	1.2
148.05179	0.9
153.01855	2.7
161.05997	0.7
166.06270	0.6
171.03168	0.3
203.03403	7.8
219.21826	0.3
229.04982	7.4
241.04907	0.9
242.05801	3.0
253.05122	0.7
256.84857	0.3
257.04483	96.0
258.05096	5.1
269.04471	0.7
270.05185	1.2
284.07043	0.4
285.03989	4.1
286.04764	8.7
287.05539	8.3
295.05966	0.4
297.03983	7.0
298.04297	0.5
299.05432	0.6
327.04944	0.4
359.08960	0.4
375.08694	1.5
387.08945	0.4
391.08069	1.6
403.08185	2.0
419.07587	0.8
432.08585	0.9
435.10782	6.6
447.10709	2.3
450.09293	0.6
465.11893	100.0
466.12134	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	465.1189
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
50.42293	0.2
50.44174	0.2
52.78894	0.3
55.05494	0.6
55.98734	0.2
56.41441	0.2
57.03437	0.3
59.90683	0.2
65.03918	0.6
65.51950	0.2
67.05508	1.3
68.99805	0.3
69.07056	0.4
79.05497	1.3
81.03390	0.8
81.07034	1.1
83.04983	0.3
83.08604	0.3
89.03928	0.4
91.04986	0.3
91.05495	2.8
93.07030	1.1
95.04939	0.9
95.08599	0.4
97.06516	0.8
98.20749	0.7
102.04697	1.6
105.07039	1.3
107.04941	0.4
107.08593	0.7
109.10170	0.3
110.03661	0.8
115.05475	0.6
117.03373	0.3
118.04128	0.3
119.04948	1.4
123.04401	0.8
129.07124	0.3
130.04173	2.0
131.04857	0.6
131.08549	0.3
133.06464	0.4
133.10130	0.5
135.04378	0.8
135.11676	0.4
136.05200	1.5
137.05972	1.3
146.03651	3.3
147.04419	3.2
148.05209	4.4
149.09657	0.3
151.07480	0.3
153.01843	6.9
161.02448	0.2
161.06000	3.1
162.06764	1.1
163.03922	1.2
193.12274	0.4
201.05426	0.4
203.03410	6.0
211.13292	0.5
213.05544	0.9
223.07330	0.3
229.02914	0.2
229.04968	7.1
241.04892	1.3
242.05760	15.0
243.06337	0.4
245.04613	0.2
252.10846	0.3
253.05013	3.3
255.06563	0.6
256.03827	0.3
257.04480	53.9
258.05252	22.3
259.05661	0.5
269.04486	2.0
270.05246	2.4
271.06125	1.4
283.06046	0.8
285.03955	9.4
286.04742	32.3
287.05515	17.5
295.06039	0.6
297.03989	6.0
297.07364	0.4
299.05579	2.1
311.05466	0.4
323.05505	0.4
327.04929	2.0
341.06604	1.4
361.06882	0.4
373.07159	1.0
375.08740	0.6
387.08600	1.0
389.06396	0.6
391.08075	0.8
403.08072	1.5
404.08850	0.3
414.07205	0.5
415.08075	0.7
431.07629	0.4
432.08466	2.7
435.10745	4.2
446.72543	0.3
447.10803	14.9
448.11163	0.8
465.11874	100.0
466.12198	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	465.1186
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
53.46597	0.6
54.73061	0.6
55.05509	0.8
57.34366	0.7
67.05499	1.6
69.03416	1.1
69.07063	1.6
69.37493	1.1
69.37900	4.2
79.05463	1.5
81.03417	0.9
81.07050	3.0
83.05009	0.9
83.08610	0.9
91.05480	2.3
93.07065	1.6
95.04989	1.6
95.08599	1.8
96.29630	0.7
97.06532	1.7
97.10195	0.9
98.97579	0.8
105.07039	1.2
107.08604	1.0
108.30356	0.7
109.02896	0.9
109.06515	0.9
109.10160	1.2
117.03381	0.7
119.08574	1.2
119.67040	0.7
121.10140	1.0
124.00153	0.7
135.08092	0.8
137.05954	5.4
144.97112	0.6
147.04430	1.7
151.07462	0.7
153.01843	17.7
163.03897	0.8
165.07065	1.2
173.06058	0.7
177.05432	0.9
203.03401	2.0
205.04956	0.9
207.02919	0.9
208.58478	0.7
209.06000	1.2
218.56407	0.6
223.07666	0.8
229.04962	1.1
233.06143	1.0
234.06676	1.1
235.07591	1.2
237.05533	1.4
239.06975	0.7
242.05814	1.7
250.06294	1.1
251.07039	0.9
257.04456	5.1
258.05270	5.6
263.07028	1.2
265.04984	1.4
269.04459	1.5
271.05893	1.6
272.06689	1.0
280.07327	1.7
282.04980	1.0
285.04031	0.9
286.04797	8.9
287.05435	2.1
293.04361	0.9
295.06046	1.2
297.03992	2.3
298.04791	1.0
299.05557	2.7
300.06213	1.4
311.05518	22.2
323.05502	3.1
329.07980	2.0
347.09283	2.2
357.07559	0.8
358.08377	2.6
359.09302	5.6
360.06091	1.0
361.07080	5.1
363.08444	1.4
369.07556	1.5
373.06824	0.8
375.08615	10.0
376.09402	5.6
385.06927	2.0
386.07834	6.1
387.08609	10.1
389.06430	1.4
391.07938	1.7
393.06006	1.3
397.07263	2.0
403.08148	28.7
404.08835	4.1
413.06470	1.1
414.07266	2.5
415.08145	9.3
416.08945	2.4
419.07571	17.6
420.08365	10.1
421.09399	0.8
431.07672	7.5
432.08438	73.2
433.08810	2.5
435.10800	44.0
436.11136	1.0
447.10788	96.6
448.10938	2.4
465.11890	100.0
466.12143	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	465.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65625	0.9
53.03962	1.8
55.01872	2.7
57.03442	8.8
61.02924	1.2
63.25663	1.0
65.03932	1.7
67.05499	2.5
68.99811	3.4
69.03426	1.8
69.71681	6.0
70.06615	1.1
72.08178	1.4
79.05493	1.5
81.03410	5.4
81.07057	1.3
85.02917	27.4
86.09718	1.7
89.03947	2.6
91.05468	2.0
95.04977	4.9
97.02903	4.9
99.04438	1.4
105.07046	1.6
107.04971	2.8
109.02910	5.1
111.00803	1.5
111.04432	1.4
117.03399	2.2
119.04984	1.5
120.08114	4.8
121.02871	14.4
123.04438	7.1
125.02356	3.5
127.03935	2.2
131.04939	1.8
135.04425	3.9
137.02362	2.0
137.05963	5.2
141.01855	1.8
145.02869	1.9
147.04419	2.7
149.02354	3.0
149.06010	3.1
151.03912	3.6
151.07518	3.1
153.00719	1.7
153.01848	17.5
161.02367	1.4
163.00272	1.1
163.03902	10.3
165.01857	64.6
167.03401	1.7
171.02876	3.9
173.02368	1.4
175.03932	2.3
175.07509	1.1
177.01863	11.9
177.05489	19.3
179.03369	3.6
183.02914	20.7
187.03886	2.7
189.01836	3.8
189.03946	1.2
189.05522	3.8
191.03409	24.8
191.05072	1.8
193.01218	2.5
195.02913	100.0
196.03192	1.6
197.00854	1.1
200.21785	1.1
203.03404	4.9
205.04997	8.4
207.02925	3.6
209.04430	1.5
213.70653	1.2
215.03387	4.4
219.02904	39.4
227.07053	2.7
230.52455	1.2
231.02924	16.5
233.04538	3.6
237.03954	2.3
243.02914	8.9
249.03932	17.7
257.04565	1.7
259.05991	2.5
261.03983	24.6
279.05002	17.6
285.04092	2.0
285.07489	1.4
287.05322	1.2
290.15625	2.5
297.05960	12.0
303.04984	1.1
303.08524	3.4
312.36383	1.1
315.08658	28.6
318.97437	1.2
327.08609	8.7
345.09732	17.9
369.09760	20.9
381.09702	5.2
383.84457	1.1
393.09879	2.8
399.10806	13.9
411.10764	5.9
429.11716	11.4
447.13004	9.8
465.13962	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	465.14
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
53.03945	2.1
55.01871	2.1
57.03443	10.6
61.02943	1.9
64.68237	1.0
65.03944	1.4
66.57198	1.0
67.05529	2.4
68.99793	3.7
69.03430	2.1
70.06590	2.0
71.46579	1.4
72.08145	1.7
79.05499	3.3
79.86375	1.4
81.03424	8.6
85.02423	2.2
85.02919	30.3
86.09710	2.3
89.03932	2.9
91.05475	4.2
91.09483	0.9
95.05000	7.0
97.02902	6.7
98.97586	2.5
103.03951	1.2
105.07035	5.5
107.04952	2.8
109.02914	7.7
110.54377	1.1
111.04437	1.9
115.05483	1.3
116.06991	1.4
117.03399	3.4
119.04947	2.0
120.08121	2.1
121.02894	16.5
121.06487	1.6
123.04441	7.1
125.02380	4.0
127.03954	2.6
131.04922	3.5
133.02855	1.9
135.04419	4.6
137.02325	1.7
137.06010	6.8
141.01845	2.2
145.02835	2.6
147.04430	4.5
149.02376	5.3
149.05989	4.5
150.51254	1.1
151.03897	5.5
151.07574	4.1
153.00717	2.1
153.01855	23.6
158.37794	1.1
161.02267	1.1
161.05991	2.8
163.03940	16.1
165.01862	69.7
167.03433	2.5
171.02924	4.5
173.05927	1.3
175.03949	2.7
177.01872	12.8
177.05495	25.1
178.64624	1.1
179.03447	3.1
181.04988	1.2
183.02927	22.5
187.03923	4.0
187.07495	1.4
189.01868	6.0
190.99850	1.1
191.03418	26.2
193.01360	2.3
195.02919	100.0
201.05363	1.2
203.03391	4.6
205.05055	7.0
207.02945	5.1
207.10094	1.2
209.04523	3.2
215.03401	4.4
215.07101	2.8
219.02930	53.2
231.02911	17.8
233.04410	5.4
237.03801	1.1
238.10350	1.4
243.02902	7.0
249.03970	18.4
261.03967	28.8
267.13821	2.4
273.18381	1.2
279.05017	18.4
287.05496	6.3
288.05377	1.6
297.06027	15.7
298.12671	1.3
301.06940	3.2
302.07291	2.0
303.04980	5.7
303.08081	7.2
315.08694	37.0
327.08646	9.6
339.08551	1.8
345.09784	22.8
369.09723	26.1
381.09875	8.1
393.09607	3.8
399.10773	16.3
411.10873	8.9
429.11801	11.9
447.12976	9.4
465.13748	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	465.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01884	3.5
55.05529	0.9
56.96561	0.9
57.01624	0.7
57.03444	8.7
65.03957	1.1
67.05496	2.7
68.99792	2.9
69.03430	2.9
70.06591	2.8
71.55176	1.0
72.08151	1.0
79.01862	0.7
79.05520	3.5
81.03431	5.8
81.07062	2.1
83.04979	1.4
84.08167	0.9
85.02915	25.4
86.09696	3.3
89.03914	3.2
91.05486	4.7
93.03428	1.5
93.07049	1.9
95.04984	7.0
95.08598	0.8
97.02905	5.1
98.97617	1.4
99.04449	0.9
103.05461	1.1
105.03377	1.2
105.07062	3.5
107.01400	0.8
107.04958	1.7
107.08562	1.0
109.02892	5.6
111.00826	2.3
111.04461	1.7
117.03391	2.8
117.07047	1.4
119.04955	2.6
119.08598	1.1
120.08096	1.5
121.02883	15.4
121.06516	1.1
121.10154	0.8
123.00847	1.2
123.04462	6.7
125.02371	4.0
127.03926	1.8
131.04906	2.3
131.08583	1.1
132.05276	1.3
133.06522	1.2
133.10194	0.8
135.04457	5.8
137.02353	2.4
137.05991	3.9
139.03972	1.4
141.01819	2.7
145.02872	2.0
145.10069	1.1
147.04387	3.8
149.02338	3.8
149.05983	3.6
151.03894	4.3
151.07550	3.6
153.00713	1.5
153.01854	18.4
159.04468	1.0
159.11768	0.8
160.07678	1.0
161.05972	1.6
161.09732	0.8
163.03915	13.2
163.07568	0.9
164.07997	0.7
165.01860	61.0
165.05518	1.7
167.03429	1.2
169.05116	0.8
171.02937	5.1
175.03923	3.1
177.01874	10.6
177.05490	21.8
179.03394	4.4
183.02922	27.2
187.03938	2.9
189.01802	4.4
191.03424	25.0
191.04732	0.4
193.01401	1.5
195.02917	100.0
196.03339	1.2
197.00870	0.8
197.05984	0.8
201.02028	0.7
203.03444	5.0
205.04974	7.1
207.02888	4.0
209.04509	3.1
213.03897	1.8
215.03442	3.2
215.06924	3.6
217.01366	0.9
219.02928	46.6
219.10667	0.8
220.03299	0.9
221.04404	1.0
223.13176	0.8
229.05103	0.7
231.02901	17.6
233.04529	3.0
237.03917	2.4
241.08681	1.3
243.02905	6.5
245.04422	1.0
249.03970	18.0
254.47615	0.8
255.17561	0.8
261.03983	26.6
267.13779	1.2
273.07544	0.8
273.18604	2.0
279.05045	17.7
286.04611	1.0
287.05481	5.1
288.05402	1.4
297.06030	14.7
301.07083	2.3
302.07498	2.2
303.04971	10.5
303.08331	7.1
315.08670	30.7
327.08600	7.6
339.08722	0.8
345.09729	19.1
369.05206	1.4
369.09723	22.5
381.09766	7.1
393.09827	3.3
399.10861	16.8
411.10651	6.6
426.10995	0.8
429.11887	11.6
447.12964	11.4
465.13998	12.1
465.24637	1.6
469.10904	0.7
489.37610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.3
58.56669	0.3
70.06577	0.6
71.34845	0.8
85.02878	0.6
86.09681	0.4
107.60757	0.3
124.03922	0.8
125.58735	0.3
134.03650	0.4
136.07582	0.6
153.01799	1.5
154.02182	0.5
155.02301	0.6
167.03378	1.1
170.02101	0.4
181.05011	0.5
213.09718	0.8
228.08801	0.4
231.05661	0.5
258.05240	3.2
259.05579	2.7
260.05746	5.1
268.08151	0.5
269.04535	0.6
271.04971	0.6
285.03973	1.5
286.01453	0.7
286.04718	17.7
287.05023	17.8
288.05289	30.2
301.07089	49.8
302.07422	47.3
303.07651	100.0
303.13641	2.4
304.07901	1.5
321.13852	0.7
465.19479	71.1
466.19504	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.6
71.54507	1.1
82.28856	0.6
85.02908	0.9
88.03904	0.8
92.53462	0.8
98.97572	1.0
115.99802	0.6
116.85799	0.7
231.10880	0.7
237.02896	0.9
243.09055	1.6
248.09059	0.7
291.41345	0.7
303.14041	2.5
372.04544	0.7
387.13449	3.4
391.19281	0.7
391.94760	0.7
405.14404	1.5
440.58997	0.8
465.19513	100.0
466.19522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
54.54543	2.1
55.01863	2.6
55.05513	13.0
57.03444	12.3
61.02929	4.4
67.05515	17.2
69.03429	7.6
69.07074	7.5
70.06586	6.8
71.05010	4.1
71.55035	1.9
72.08158	9.0
79.05495	19.1
81.03425	60.1
81.07068	25.9
83.04987	14.1
83.08636	20.2
84.04513	2.8
84.08150	4.4
85.02917	25.5
86.09713	10.9
89.03861	2.3
91.05492	24.5
93.07063	12.5
95.04977	23.3
95.08624	9.7
97.02901	7.4
97.06557	3.6
97.10181	2.8
98.97616	2.5
103.05479	3.1
105.07033	16.8
107.04950	6.9
107.08597	4.7
109.02895	2.4
109.06506	5.5
111.04479	2.6
111.08088	9.9
119.08611	12.7
120.08107	9.5
120.08873	2.3
121.10196	11.2
125.09628	2.5
127.03896	2.9
129.07027	8.2
130.06511	3.4
131.08562	11.3
133.06433	3.8
133.10152	12.7
135.04460	3.3
137.05986	3.0
137.09666	2.5
137.68488	1.9
145.02817	4.1
147.08055	4.9
147.11682	16.0
149.09648	7.5
151.03928	3.7
153.01826	17.2
157.10100	11.4
161.13194	2.6
163.03923	11.8
165.12721	2.7
175.11150	12.4
193.12263	43.8
195.02863	6.1
201.05482	3.3
203.03246	2.6
211.13315	41.9
215.26596	2.3
229.04999	17.7
231.06570	4.2
233.62610	1.9
235.10861	5.1
245.04584	4.9
252.09361	4.1
257.04523	19.0
259.06012	23.6
263.10397	4.9
267.15970	12.1
275.05566	14.9
285.03955	19.1
285.16995	100.0
286.17325	4.6
287.05325	5.1
301.07361	2.3
303.04993	23.1
303.07874	5.3
311.05469	27.8
465.13760	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
55.05509	0.9
67.05494	2.3
69.03431	0.9
70.06590	0.5
79.05482	1.3
81.07065	3.3
84.04488	0.7
85.02897	1.5
85.06518	0.6
87.04434	0.5
91.05473	0.9
93.07034	1.3
95.04951	0.8
95.08632	3.3
97.06512	1.0
97.10173	0.5
98.21513	1.3
105.07019	1.2
107.08577	1.1
109.06499	0.7
109.10149	1.4
119.08601	1.5
120.08102	0.9
121.10126	1.3
131.08598	0.7
132.09311	0.5
133.10135	1.0
137.13301	0.6
153.01804	1.3
159.44766	0.5
161.13287	1.3
163.03915	1.0
197.15451	0.7
203.17964	1.3
213.16374	0.5
258.05273	11.3
259.05606	9.1
260.05807	12.6
267.19547	1.1
285.20621	0.6
286.04727	18.1
287.05063	18.1
288.05286	35.5
300.56894	0.5
301.07074	44.4
302.07410	46.1
303.07642	100.0
304.08044	0.8
361.14166	0.8
388.33688	0.5
465.12546	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.6
55.65551	6.2
57.03432	8.1
67.05509	65.1
67.11948	5.7
69.03428	13.4
69.07056	18.0
70.06593	7.9
70.70699	19.0
71.04990	7.8
72.85816	6.8
79.05488	25.6
81.03366	8.6
81.07062	100.0
83.04982	11.5
84.04748	6.8
85.02895	17.3
85.06515	17.4
87.04479	19.9
88.74128	6.6
89.03925	7.1
91.05482	17.1
92.19723	6.6
93.07057	30.7
95.08607	64.7
96.34673	5.9
97.02890	7.5
97.06515	15.8
98.97556	9.4
99.08102	12.5
101.06023	13.2
101.35198	5.9
105.07019	27.5
107.08601	22.0
109.06554	8.2
109.10159	31.3
115.03901	9.3
119.08601	17.1
120.48397	6.3
121.10120	33.9
123.11684	19.8
131.08562	9.1
133.10144	16.9
135.04391	7.2
135.11653	10.9
136.07584	7.1
137.13257	7.7
147.11621	9.7
148.83565	6.1
149.06010	7.6
149.13152	8.0
153.01842	57.1
163.03967	21.4
171.02953	7.1
175.07494	6.6
177.05470	47.0
177.16438	10.7
179.03410	9.5
188.78766	6.6
200.56274	7.1
203.17978	22.8
221.18979	11.6
229.04774	6.4
231.17613	5.9
239.19987	13.8
243.66037	6.7
259.05661	6.8
259.09689	9.0
267.19601	47.1
285.20633	40.2
287.05383	7.8
288.05212	10.4
301.06995	13.4
302.07315	16.8
303.08447	85.6
336.70145	6.3
465.12311	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	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	2.6
51.14493	2.2
53.03933	4.7
55.01859	5.3
55.05515	36.0
56.96544	3.0
57.03440	22.5
57.07063	2.6
59.04985	3.0
61.02913	2.2
65.03931	6.4
67.05507	100.0
69.03409	6.9
69.06781	2.0
69.07075	19.9
71.01341	7.5
71.04980	10.2
71.55029	4.1
79.05494	82.9
80.05817	2.5
81.03423	70.4
81.07057	60.7
83.04977	27.2
83.08617	30.6
85.02902	29.3
85.06534	6.2
91.05482	78.6
93.06478	4.6
93.07048	81.6
95.04383	2.9
95.04971	58.0
95.08614	22.7
97.06532	30.0
97.10175	18.5
99.08082	2.8
105.04520	2.7
105.07034	40.0
107.04946	11.8
107.08596	43.0
109.06522	12.1
109.10162	14.0
111.04429	4.2
111.08097	14.7
113.05925	2.4
115.05465	3.1
117.07033	11.4
119.08598	22.2
121.06483	8.3
121.10157	19.5
123.08083	4.5
125.09606	5.8
129.06981	9.2
131.08603	12.1
133.10129	17.6
135.08051	3.8
135.11690	68.0
137.09586	3.5
145.10118	16.3
147.04367	2.8
147.08018	3.9
147.11676	17.1
149.09605	6.1
153.01822	4.1
157.10126	16.2
159.11716	3.7
163.11194	13.8
165.12762	3.5
175.11218	19.1
178.07956	2.9
181.12218	10.2
187.11214	2.2
193.12251	65.7
201.83966	2.0
211.13303	72.9
211.22801	2.4
219.13689	3.1
223.13202	2.6
229.07430	5.3
229.14276	3.2
242.05635	4.0
243.72424	2.2
247.08537	2.3
255.15880	6.8
257.04523	20.1
258.05090	5.0
267.15891	7.8
285.04068	3.9
286.04703	12.6
287.05453	9.5
300.56702	3.1
329.21127	6.1
334.41760	2.2
345.24457	2.5
355.22452	5.2
356.15744	4.5
373.23633	10.3
447.10971	6.5
447.27521	12.9
447.94458	2.1
465.11887	34.6
465.28656	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01865	0.8
55.05515	37.6
57.03444	2.1
57.07080	13.2
59.05009	3.8
61.05838	0.3
65.03951	3.1
67.05508	100.0
68.05845	0.5
69.03432	0.6
69.07072	37.7
70.49288	1.0
70.49673	0.6
71.05001	3.2
71.08635	9.2
79.05497	3.1
81.06581	0.7
81.07063	16.3
83.08624	37.4
85.06548	2.5
85.10198	3.6
89.06033	0.7
91.05484	6.0
93.07040	4.1
93.96149	0.4
95.04989	0.5
95.08614	6.6
97.10175	26.2
99.08092	0.4
104.27186	0.3
105.04591	0.3
107.08613	2.2
109.10162	76.9
109.20779	0.4
110.10511	0.6
111.08102	3.3
111.11725	9.5
113.06037	0.3
119.08566	4.8
121.10152	0.8
123.11657	0.4
125.09669	0.5
125.13287	2.7
127.11185	0.5
128.96719	0.3
133.10136	0.4
137.09613	3.4
139.14862	0.5
155.10674	5.9
173.11746	31.0
219.21062	0.5
227.62349	0.4
229.14311	0.7
237.22160	2.1
257.08011	0.3
289.37665	0.3
339.25272	0.5
465.35800	79.7
466.35977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
55.05508	6.3
57.03428	6.2
59.58498	2.3
67.05513	23.9
69.07063	8.9
70.06583	7.6
70.16481	2.3
71.04988	3.5
71.55170	2.1
71.55539	3.4
79.05495	13.9
81.07058	28.5
83.08621	3.8
83.21980	2.3
84.04502	3.8
85.02890	3.3
91.05480	7.0
93.07052	24.2
95.04954	2.6
95.08601	8.8
97.06522	9.3
99.08128	3.0
105.07025	4.9
107.08571	10.1
109.10136	7.7
111.08071	3.2
117.07020	3.6
118.06850	4.1
121.10141	8.2
127.03960	3.2
131.08574	3.9
133.10121	4.2
135.11693	5.1
149.13283	16.1
159.11716	6.5
168.72314	2.4
177.12767	3.9
195.13734	7.8
217.16200	2.2
259.09583	4.2
269.17526	100.0
287.05499	6.9
431.22958	2.3
469.67877	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	466.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84233	1.5
53.03947	2.3
54.26931	1.5
55.01878	1.8
55.05499	5.0
56.96557	3.0
57.03429	5.8
67.05177	1.7
67.05512	23.5
69.03439	3.1
69.07066	9.6
70.06605	2.1
71.04982	1.6
71.55116	2.1
75.83935	1.4
76.42007	1.9
79.05502	14.4
81.03430	3.3
81.07065	26.1
83.04979	5.6
83.08621	6.3
85.02907	4.6
85.06541	2.9
87.04441	1.6
91.05484	9.7
93.07063	20.7
94.04205	2.0
95.04985	3.5
95.08606	8.1
97.02878	2.2
97.06525	9.6
99.08103	3.3
105.07048	4.5
107.08597	12.3
109.06516	3.5
109.10171	4.8
111.08089	4.2
117.07061	2.8
119.08590	2.1
121.06527	1.8
121.10153	8.1
122.03654	4.5
123.11749	2.5
127.03883	2.3
130.05040	2.2
131.08603	3.6
133.10141	5.2
135.11696	3.4
137.06007	26.6
138.06331	14.0
145.02859	2.2
149.13274	17.5
151.03958	2.5
153.01859	19.8
154.02182	7.2
159.11719	7.0
161.05965	2.0
163.03928	3.1
171.07851	1.8
177.12794	3.5
195.13821	6.0
210.14954	1.8
231.67342	1.9
238.05838	3.7
259.09769	4.7
265.04953	5.5
266.05319	6.5
268.07010	2.1
269.04605	2.0
269.07962	2.5
269.17508	100.0
270.04868	3.4
294.04694	3.3
296.06522	2.0
297.04056	4.9
298.04364	7.6
311.05502	18.2
312.05844	38.8
324.05936	4.4
328.23575	1.7
339.17761	1.8
371.80890	1.7
440.02301	1.7
466.12201	98.6
466.28699	2.8
467.12372	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	467.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01861	7.3
55.05516	35.1
56.96591	2.5
57.03435	2.5
65.03925	6.9
67.05511	51.5
68.56162	1.8
69.03424	7.0
69.06721	2.8
69.07072	31.8
69.56036	2.0
70.06572	4.7
70.51830	5.0
71.05004	4.3
72.08129	1.9
73.10487	1.8
79.05065	2.8
79.05497	44.6
81.02994	2.0
81.03428	9.8
81.06587	3.9
81.07063	75.8
83.04985	29.3
83.08626	27.3
85.02882	7.2
85.06539	7.6
86.09711	5.5
88.83852	1.9
91.05488	42.4
93.03405	5.0
93.07052	38.7
95.01324	2.8
95.04974	37.4
95.08611	33.2
97.06534	9.9
97.10168	6.9
98.97590	6.1
99.08078	13.0
103.05439	3.1
105.07037	55.9
107.04958	21.1
107.08607	34.2
109.02857	2.1
109.06516	12.1
109.10155	9.3
111.04446	25.1
111.08060	6.7
115.05441	2.5
116.98616	2.8
117.07018	12.2
119.08582	32.2
120.08130	2.7
121.02879	3.4
121.06497	7.4
121.10155	18.0
123.08073	6.2
123.11703	4.8
125.09624	4.6
129.05486	4.0
129.07033	2.5
131.08580	28.0
133.10141	29.1
135.08029	3.3
135.11688	11.9
137.09634	4.5
137.13301	2.6
139.03874	7.4
143.08562	5.7
145.06453	2.7
145.10130	28.9
147.04427	2.2
147.11690	21.6
149.09656	14.0
149.13223	6.9
151.03915	3.8
155.08525	4.0
157.04970	3.7
157.10127	11.0
159.11707	15.2
161.09615	2.4
161.13315	3.7
163.03836	2.9
163.11166	12.0
165.12766	9.1
169.10104	2.5
171.11636	6.0
173.09714	2.7
173.13206	7.2
175.11227	3.0
177.12755	3.1
179.06999	2.7
179.14345	4.9
181.04898	2.3
183.11708	5.4
184.07353	3.3
193.12236	2.6
199.14809	5.8
211.05952	3.5
215.07077	4.1
217.15851	4.9
229.14357	5.4
229.19489	2.2
233.18919	6.4
235.16956	6.4
239.17924	9.1
247.20544	3.2
249.18735	2.2
257.19025	23.9
275.20071	100.0
293.21161	20.2
367.17587	4.3
387.14951	2.9
421.25803	2.5
423.16342	3.1
431.24216	11.2
449.25287	33.3
467.15961	13.4
467.26517	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	12.5
55.01878	11.2
55.05262	3.9
55.05515	54.3
56.96581	3.5
57.03435	6.5
65.03940	9.2
67.05508	58.5
68.99784	2.8
69.03120	2.2
69.03431	12.5
69.07071	47.5
69.86127	3.6
69.86527	5.8
70.06589	6.3
71.04989	4.6
77.03922	2.3
78.04742	2.4
79.05502	50.8
81.03417	16.3
81.07063	83.5
83.04987	23.0
83.08630	40.4
85.02914	10.1
85.06552	7.1
86.09704	7.1
91.05486	51.8
93.03403	5.5
93.07053	50.7
95.01339	5.1
95.04979	34.8
95.08608	45.2
97.02922	5.3
97.06543	17.1
97.10173	5.7
98.20855	2.4
98.97577	4.4
99.04472	3.6
99.08096	19.8
103.05473	4.5
104.10757	2.7
105.04611	3.1
105.07037	65.8
107.04964	32.7
107.08612	31.4
109.06527	8.0
109.10151	11.6
110.07216	2.2
111.04449	19.6
111.08089	15.1
115.05442	2.7
116.98709	2.2
117.03402	2.1
117.07023	19.5
119.08595	37.7
120.74607	2.0
121.02879	4.9
121.06491	10.3
121.10153	19.9
123.08077	9.0
123.11742	4.0
125.09676	5.4
129.05505	4.7
129.07031	7.7
131.08571	36.6
133.06516	2.7
133.10135	33.1
135.08083	6.6
135.11694	12.8
137.05984	3.2
137.09705	3.3
139.03929	8.2
141.06984	3.0
142.07788	2.3
143.08594	9.2
145.06491	5.3
145.10143	33.3
147.04488	2.7
147.08083	2.8
147.11694	28.1
149.01236	2.5
149.09610	26.7
149.13246	3.5
151.11230	3.6
155.08524	5.3
157.04941	3.9
157.10153	12.1
159.11719	21.3
160.91940	2.1
161.05963	2.2
161.09688	3.4
161.13222	10.7
163.03954	3.6
163.11171	18.3
165.12820	9.4
169.06573	3.0
169.10141	3.9
171.06717	4.0
171.11765	4.4
173.13298	8.0
175.11215	3.8
177.00647	2.3
177.12746	5.9
179.14340	7.1
180.07321	2.6
183.11711	6.6
184.07355	1.9
187.11195	2.8
187.14828	2.6
189.09131	5.1
189.11212	2.3
191.10817	2.1
191.14352	3.1
193.12216	3.2
197.06120	2.0
197.13382	4.2
199.14890	7.4
201.12962	2.2
208.37508	2.1
208.56183	2.2
213.16309	2.2
215.07063	11.0
215.18088	2.7
217.15991	3.7
223.06140	3.4
229.19511	2.4
233.15504	2.4
233.19064	5.4
235.17018	4.7
239.17931	12.1
247.16917	2.1
247.20729	4.6
248.42467	2.3
252.09404	17.4
257.08072	2.4
257.18970	26.6
259.09656	14.5
267.09070	2.2
275.09198	3.3
275.20081	100.0
276.20633	2.2
285.10162	3.2
293.21109	21.7
367.17450	4.9
403.24704	4.1
421.25809	2.2
431.24435	10.3
449.25449	36.0
467.26541	92.3
467.33026	4.7
468.26642	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	467.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.5
55.01873	10.1
55.05262	2.8
55.05516	42.4
56.96569	2.2
57.03431	4.8
65.03941	6.1
67.05167	3.2
67.05510	46.5
69.03442	9.2
69.07076	45.6
70.06598	5.9
70.88218	3.7
71.04994	5.5
72.08147	1.6
79.05499	41.0
81.03415	17.4
81.07063	74.2
83.04987	22.5
83.08631	40.0
84.08163	1.7
85.02913	7.6
85.06555	6.1
86.05476	1.6
86.09685	5.0
91.05491	54.9
93.03416	4.5
93.07058	36.4
95.01350	4.1
95.04980	29.1
95.08616	36.5
96.35927	1.7
97.02881	2.8
97.06535	12.0
97.10188	3.4
98.97579	4.2
99.04487	2.4
99.08087	13.8
101.99749	1.6
103.05512	2.1
105.04494	2.0
105.07040	52.5
107.04970	28.6
107.08605	26.3
109.02885	2.2
109.06522	9.4
109.10172	10.4
111.04436	18.7
111.08086	14.3
113.85889	1.7
115.05457	3.9
117.07042	18.4
119.08601	31.9
121.02892	6.2
121.06526	5.9
121.10154	17.6
123.04446	1.6
123.08080	5.1
123.11709	5.1
125.09634	5.4
129.05504	4.6
129.07021	5.8
131.00162	2.2
131.08583	36.0
133.06444	1.9
133.09209	2.9
133.10133	24.8
135.04440	1.7
135.08076	7.6
135.11687	10.7
137.09619	3.9
139.03954	6.0
139.07582	2.6
141.07060	3.6
143.08571	5.7
144.90276	1.7
145.06517	3.2
145.10135	35.0
147.08014	3.1
147.11691	22.4
149.09607	19.5
149.13284	2.8
151.11198	3.0
155.08606	2.9
157.05014	4.4
157.10196	7.9
159.11731	18.1
161.06039	2.4
161.13228	8.2
163.03943	5.3
163.11188	16.0
165.12737	10.2
169.10173	3.5
171.11775	4.8
173.09702	2.5
173.13274	7.4
175.11179	3.2
177.12762	4.5
179.14308	11.0
181.04953	2.9
183.11684	6.6
184.07425	1.9
185.13350	2.6
187.11169	2.3
189.09196	3.5
189.11168	2.2
193.12234	2.5
197.13307	4.2
199.14827	5.2
213.09332	1.7
215.07016	9.3
215.14644	2.1
215.18117	2.1
217.15846	2.8
219.13942	2.5
219.67493	1.6
223.06071	3.4
229.19594	3.1
231.06813	1.9
233.19035	4.6
235.16954	5.8
239.17946	10.8
247.20638	3.1
252.09332	9.5
257.19019	26.0
259.09702	12.2
275.09253	3.1
275.20087	100.0
276.20490	1.8
293.21106	18.9
367.17593	4.0
403.25159	2.9
411.53262	1.8
421.26770	2.6
431.24426	7.7
449.25446	33.6
467.26520	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.5
55.01873	10.1
55.05262	2.8
55.05516	42.4
56.96569	2.2
57.03431	4.8
65.03941	6.1
67.05167	3.2
67.05510	46.5
69.03442	9.2
69.07076	45.6
70.06598	5.9
70.88218	3.7
71.04994	5.5
72.08147	1.6
79.05499	41.0
81.03415	17.4
81.07063	74.2
83.04987	22.5
83.08631	40.0
84.08163	1.7
85.02913	7.6
85.06555	6.1
86.05476	1.6
86.09685	5.0
91.05491	54.9
93.03416	4.5
93.07058	36.4
95.01350	4.1
95.04980	29.1
95.08616	36.5
96.35927	1.7
97.02881	2.8
97.06535	12.0
97.10188	3.4
98.97579	4.2
99.04487	2.4
99.08087	13.8
101.99749	1.6
103.05512	2.1
105.04494	2.0
105.07040	52.5
107.04970	28.6
107.08605	26.3
109.02885	2.2
109.06522	9.4
109.10172	10.4
111.04436	18.7
111.08086	14.3
113.85889	1.7
115.05457	3.9
117.07042	18.4
119.08601	31.9
121.02892	6.2
121.06526	5.9
121.10154	17.6
123.04446	1.6
123.08080	5.1
123.11709	5.1
125.09634	5.4
129.05504	4.6
129.07021	5.8
131.00162	2.2
131.08583	36.0
133.06444	1.9
133.09209	2.9
133.10133	24.8
135.04440	1.7
135.08076	7.6
135.11687	10.7
137.09619	3.9
139.03954	6.0
139.07582	2.6
141.07060	3.6
143.08571	5.7
144.90276	1.7
145.06517	3.2
145.10135	35.0
147.08014	3.1
147.11691	22.4
149.09607	19.5
149.13284	2.8
151.11198	3.0
155.08606	2.9
157.05014	4.4
157.10196	7.9
159.11731	18.1
161.06039	2.4
161.13228	8.2
163.03943	5.3
163.11188	16.0
165.12737	10.2
169.10173	3.5
171.11775	4.8
173.09702	2.5
173.13274	7.4
175.11179	3.2
177.12762	4.5
179.14308	11.0
181.04953	2.9
183.11684	6.6
184.07425	1.9
185.13350	2.6
187.11169	2.3
189.09196	3.5
189.11168	2.2
193.12234	2.5
197.13307	4.2
199.14827	5.2
213.09332	1.7
215.07016	9.3
215.14644	2.1
215.18117	2.1
217.15846	2.8
219.13942	2.5
219.67493	1.6
223.06071	3.4
229.19594	3.1
231.06813	1.9
233.19035	4.6
235.16954	5.8
239.17946	10.8
247.20638	3.1
252.09332	9.5
257.19019	26.0
259.09702	12.2
275.09253	3.1
275.20087	100.0
276.20490	1.8
293.21106	18.9
367.17593	4.0
403.25159	2.9
411.53262	1.8
421.26770	2.6
431.24426	7.7
449.25446	33.6
467.26520	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.4
57.03441	1.2
57.07081	35.6
59.04992	4.5
65.03930	1.9
67.05510	100.0
69.07077	10.0
69.43373	1.0
71.05000	2.2
71.08636	24.0
71.55600	1.9
72.04716	1.1
79.05488	2.2
81.07065	30.5
83.08629	12.7
85.06537	3.6
85.09719	1.2
85.10197	14.4
89.05990	1.6
91.05483	6.2
93.07040	4.3
95.04863	1.1
95.08051	1.9
95.08615	28.1
97.10161	5.0
105.07101	1.2
106.06709	1.2
107.08602	2.6
108.18371	1.0
109.10166	77.0
111.08088	1.9
119.08594	5.6
123.11729	3.7
125.13308	1.4
135.83432	1.4
137.09634	3.6
137.13268	1.9
155.10693	4.2
173.11743	26.5
239.23708	9.1
276.56375	1.3
319.53180	1.2
467.37344	73.0
468.37454	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	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.1
57.03436	4.8
57.07078	48.2
59.05003	3.5
63.55946	1.4
65.03938	3.1
66.04689	1.5
66.15690	1.3
67.05507	100.0
68.18370	1.1
69.03451	1.1
69.07090	10.7
71.04995	4.3
71.08630	30.5
71.55217	2.4
79.05495	4.3
81.07064	32.8
83.08629	16.8
85.06544	3.0
85.10183	18.4
89.06029	3.2
91.05484	4.4
93.07043	3.9
95.04986	1.4
95.08608	35.1
97.10196	8.8
98.98470	19.6
99.11736	1.6
104.60063	1.1
105.07027	2.0
105.80093	1.2
107.08627	2.6
109.10162	84.5
111.08086	3.4
111.11688	2.5
119.08581	6.4
120.65924	1.2
121.02322	1.4
123.11726	4.7
137.09607	3.8
137.13203	2.9
143.58740	1.3
155.01038	18.9
155.10695	3.2
156.96356	2.9
173.10265	1.8
173.11739	30.4
176.83015	1.2
186.28831	1.3
195.76634	1.3
239.23706	11.6
313.27374	42.1
314.27673	1.6
412.51761	1.4
449.26593	6.6
467.21555	4.3
467.37375	77.7
468.37799	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	467.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.05518	13.2
55.58517	0.5
57.03449	2.2
57.07082	35.7
59.05006	3.8
65.03960	2.5
67.05511	100.0
69.03435	0.7
69.07078	6.9
71.05013	3.1
71.08637	24.8
79.05491	2.5
81.07067	27.4
83.08634	15.5
85.06560	4.0
85.10189	13.5
89.06039	1.1
91.05487	5.5
91.86661	0.5
93.07053	4.0
93.28262	0.5
95.05016	0.5
95.08617	24.7
97.10182	5.8
98.21510	1.7
99.08131	0.6
99.11731	0.7
103.77357	0.5
105.23615	0.5
107.08600	1.4
109.10168	75.3
110.10497	1.3
111.08099	2.7
111.11745	1.5
119.08606	4.9
121.10184	0.7
123.11742	4.9
125.13304	1.5
125.95558	0.5
133.08647	0.5
137.09627	3.5
137.13313	2.2
151.14935	0.9
155.10667	4.3
169.03503	0.5
173.11766	23.2
239.23694	8.6
262.41824	0.5
273.81287	0.5
356.76093	0.5
467.37415	81.9
468.37482	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	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00083	1.1
55.01857	1.2
55.05515	15.6
57.03432	3.7
57.07079	41.2
59.04990	4.8
61.02945	1.5
65.03938	3.2
67.05509	100.0
69.07069	11.5
71.04984	3.9
71.08635	27.1
79.05490	4.6
81.07063	35.2
83.08623	18.7
85.06541	5.1
85.10193	16.2
89.06038	3.0
91.05475	8.9
93.07028	5.1
95.08614	30.3
97.10151	6.6
98.97557	1.2
98.98466	11.0
105.07033	3.1
107.08625	3.3
109.06499	2.7
109.10162	77.9
111.08096	3.4
119.08579	7.4
123.11714	4.6
125.09685	2.6
125.13290	1.7
133.10199	1.3
135.11731	1.5
137.00031	2.0
137.09636	3.2
137.13208	2.0
143.08601	1.4
151.51477	1.4
155.01074	9.6
155.10689	5.1
157.10139	1.4
173.11745	21.6
181.12204	1.6
210.00343	1.1
239.23688	10.4
291.15118	1.3
313.27368	21.4
449.26248	2.7
467.31631	5.5
467.37375	70.6
468.37680	3.5
487.96640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05513	11.9
57.03440	1.4
57.07080	34.5
59.05008	3.4
59.18421	0.7
61.23313	0.7
64.54878	0.5
65.03942	3.1
67.05508	100.0
69.07076	9.7
69.60682	0.7
70.67519	1.4
71.05007	2.7
71.08638	27.1
79.05491	3.9
81.07063	26.0
83.08620	15.7
85.06553	2.9
85.10188	12.9
85.10664	1.1
89.06056	1.1
90.74561	0.6
91.05489	6.3
93.07047	3.2
95.08611	23.9
97.10179	5.2
107.08624	2.1
109.10162	74.4
111.08083	2.0
111.11739	1.4
112.78242	0.6
115.47138	0.7
119.08593	3.8
122.65858	0.6
123.11723	4.8
125.13284	1.1
126.78267	0.6
127.11177	0.8
137.09634	3.0
137.13290	1.5
147.17047	0.6
151.14862	1.2
155.10675	4.0
173.11751	24.4
221.22456	0.7
239.23666	6.9
267.19446	0.7
467.37366	71.0
468.37836	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	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00083	1.1
55.01857	1.2
55.05515	15.6
57.03432	3.7
57.07079	41.2
59.04990	4.8
61.02945	1.5
65.03938	3.2
67.05509	100.0
69.07069	11.5
71.04984	3.9
71.08635	27.1
79.05490	4.6
81.07063	35.2
83.08623	18.7
85.06541	5.1
85.10193	16.2
89.06038	3.0
91.05475	8.9
93.07028	5.1
95.08614	30.3
97.10151	6.6
98.97557	1.2
98.98466	11.0
105.07033	3.1
107.08625	3.3
109.06499	2.7
109.10162	77.9
111.08096	3.4
119.08579	7.4
123.11714	4.6
125.09685	2.6
125.13290	1.7
133.10199	1.3
135.11731	1.5
137.00031	2.0
137.09636	3.2
137.13208	2.0
143.08601	1.4
151.51477	1.4
155.01074	9.6
155.10689	5.1
157.10139	1.4
173.11745	21.6
181.12204	1.6
210.00343	1.1
239.23688	10.4
291.15118	1.3
313.27368	21.4
449.26248	2.7
467.31631	5.5
467.37375	70.6
468.37680	3.5
487.96640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01868	3.6
55.05515	5.3
56.96562	2.2
57.03456	2.2
65.03940	2.5
67.05518	8.5
69.03431	3.7
69.07069	8.3
70.06595	6.2
70.66587	4.5
71.01362	3.3
71.04982	2.5
75.10381	1.4
79.05494	6.3
81.07076	4.7
83.04979	6.3
83.08619	2.4
84.04500	1.9
85.02893	2.1
86.09705	5.6
90.17651	1.6
91.05485	6.5
93.07048	3.2
95.04974	17.8
95.08618	2.3
97.02919	2.5
97.06541	33.6
98.97585	2.0
104.10753	6.4
105.07024	4.7
107.04981	2.2
107.08619	2.6
109.02889	2.5
111.04463	3.1
115.05455	2.1
117.07021	1.7
119.08605	1.6
120.62800	1.4
122.94659	1.5
123.04491	2.4
127.03951	2.4
128.06262	2.0
129.05524	1.9
129.07004	1.9
131.08598	5.1
133.06520	2.0
133.10214	1.6
135.04459	4.5
139.03923	2.1
141.06967	4.6
143.08577	4.6
145.02818	2.1
145.06526	1.8
147.04443	3.4
152.06276	2.4
157.06454	2.0
157.10165	2.1
159.08041	2.3
160.05234	9.7
161.02374	4.5
161.05986	28.1
163.02553	2.4
163.03918	39.6
165.05525	1.7
167.08589	3.9
169.06538	6.4
171.08012	2.1
173.02371	9.4
173.06020	5.9
175.03952	4.5
177.05489	2.1
184.07401	5.8
185.06027	2.7
185.09578	2.8
187.07553	4.7
189.05489	2.6
189.09128	38.7
195.08099	5.7
197.06010	5.5
200.04538	2.7
203.10806	2.1
209.04539	2.1
213.09064	9.9
215.07042	59.6
217.08649	11.3
218.14946	1.9
224.22792	1.6
231.10216	10.9
233.08075	2.4
241.08633	4.3
249.11288	4.0
252.09441	3.1
259.09686	100.0
276.20444	4.2
277.10748	29.8
306.30280	1.6
325.03445	1.4
450.25357	2.6
455.62027	1.5
468.26617	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3089
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05500	0.5
56.05033	1.2
57.03438	0.6
57.07084	3.3
58.06612	1.4
59.07386	0.4
60.08169	17.6
61.71483	0.3
64.60940	0.3
67.05500	0.9
69.07060	0.9
69.32208	2.2
69.32630	0.7
71.07035	0.5
71.07384	6.2
71.08289	0.3
71.08628	2.5
81.07049	0.8
83.08604	0.6
85.10139	0.9
86.09710	49.4
95.08599	1.6
98.98468	4.4
104.10751	100.0
105.11042	0.7
109.10162	0.9
125.00014	28.0
143.01176	0.3
163.01526	0.9
184.07352	98.0
185.07722	0.6
258.11011	1.2
285.24231	2.0
391.22418	0.6
450.29871	7.4
468.30899	24.5
469.31277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19659	0.4
56.55927	0.4
56.96563	1.6
67.05500	1.0
69.03408	0.5
69.30110	3.9
70.06590	1.3
71.05036	0.5
81.03407	0.5
82.78843	0.4
83.04935	0.5
84.08145	1.1
85.02904	1.5
86.09679	0.8
95.04980	2.1
97.02933	0.5
97.43459	0.4
98.97573	2.4
103.03955	0.6
110.07211	0.6
110.97575	0.8
116.98625	1.0
119.01926	0.7
120.82496	0.5
123.04447	2.5
127.03905	0.8
128.98595	0.6
136.07587	1.2
137.06010	0.4
140.04684	0.7
143.00140	0.6
146.99745	0.6
147.04436	0.9
155.07050	1.3
161.03035	0.8
163.03894	1.1
167.07071	1.7
168.07315	0.8
177.05519	0.6
178.03442	0.5
181.05035	0.7
183.06647	2.7
185.04207	0.7
219.01796	1.6
223.02782	0.5
225.07602	0.8
233.01297	0.7
237.02847	1.9
249.05467	0.5
295.05856	1.0
325.08954	1.3
329.08432	1.7
367.07172	1.4
385.09225	0.8
402.95386	0.5
403.09201	1.1
407.13156	9.1
409.11093	1.2
444.32443	0.5
469.13205	100.0
470.13159	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	469.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01878	1.1
55.05512	1.4
56.96552	0.9
67.05502	1.0
69.03422	1.5
70.06593	6.1
70.65815	2.5
71.04980	0.7
72.08148	1.3
79.05504	0.8
81.03401	1.0
81.07043	1.5
83.01102	1.2
84.04485	1.0
84.08133	1.7
85.02912	1.9
86.09708	1.3
91.05485	1.6
93.34022	0.7
95.01092	2.7
95.04971	10.2
97.06528	1.2
98.97599	0.9
99.04443	1.7
105.03340	1.0
105.07033	1.3
113.02102	2.8
120.08109	1.5
123.04440	11.5
124.03944	1.2
136.07523	0.8
137.05931	0.8
140.04689	3.2
155.07034	7.0
157.04727	1.0
157.06531	0.9
161.06007	1.5
162.05510	1.6
163.03908	1.3
163.05835	1.9
165.05515	1.8
167.07062	3.0
173.06076	1.0
175.07573	1.2
177.05528	1.5
181.04994	3.3
182.08160	2.5
183.06535	14.0
184.09709	1.8
185.04283	4.7
189.09149	1.0
195.06479	0.8
201.03656	1.0
213.09085	1.2
215.07031	1.0
217.04704	1.6
217.08629	0.8
219.01945	1.0
221.60785	0.8
225.07561	2.4
227.08412	0.9
232.07082	16.4
233.07756	1.1
236.12784	1.4
241.08435	0.9
243.08575	1.0
259.07806	1.1
259.10104	0.9
275.08954	0.8
277.10730	5.0
331.03262	0.9
345.36118	0.8
437.22809	0.9
438.14972	2.6
439.15607	1.5
451.24094	1.1
469.16837	100.0
470.17245	2.9
480.51788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03951	8.8
55.01863	3.8
56.96561	1.9
57.03441	1.4
57.35505	0.8
61.02926	3.3
65.03947	5.1
67.05518	5.1
69.03446	1.7
69.07076	1.1
69.28226	1.0
70.06593	4.8
71.01363	1.1
71.55741	1.8
77.03906	1.2
79.05471	2.7
81.03423	2.2
81.07069	1.2
82.04206	1.1
83.05026	1.0
84.08137	1.8
85.02869	2.2
91.05472	2.7
93.03399	1.6
93.07030	1.0
95.04981	64.8
95.64724	1.0
97.02885	1.7
97.06551	1.8
98.97610	1.7
103.05503	1.5
105.03416	1.0
105.04523	4.3
105.07031	1.6
108.02110	1.6
109.02917	1.4
109.06507	1.9
110.03656	1.3
111.04436	1.4
112.07594	1.3
119.04961	2.2
121.06490	1.7
121.10183	1.1
123.04443	72.0
125.02370	1.4
127.03959	1.6
127.07600	1.6
128.72714	1.0
131.04938	2.3
133.02794	4.6
133.06540	1.7
137.06032	5.2
139.03845	0.9
140.04689	22.5
141.07013	2.2
147.04410	3.1
149.05994	2.5
151.03918	8.8
151.04996	1.3
151.07527	2.2
152.04262	3.1
153.05463	3.7
155.07054	43.0
159.04309	1.0
159.41756	1.1
163.03940	2.5
165.05473	7.6
166.06346	0.9
167.07083	17.1
169.06488	3.2
177.05452	5.8
179.03613	1.3
179.07011	2.4
180.07816	4.4
181.04987	26.8
182.05731	1.1
183.06548	100.0
184.06944	2.3
185.05905	1.6
187.07596	2.8
187.10912	1.1
193.05049	4.4
195.06523	5.5
197.05951	2.1
197.07925	1.1
200.04710	3.8
207.06564	3.9
208.07375	7.2
209.08057	6.1
211.06042	1.2
215.07039	7.2
225.07590	17.9
226.08281	5.3
227.09117	2.4
233.08115	2.2
243.08731	1.5
247.11748	1.3
259.09653	5.5
277.10696	5.7
289.12845	2.2
293.00592	0.9
307.05566	5.9
359.11108	1.1
377.37097	1.0
469.11108	6.1
469.17038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05513	2.4
65.03935	2.1
67.05505	5.6
69.03433	1.1
69.07063	0.9
69.55842	2.4
69.56270	2.1
70.06603	4.5
71.04990	3.4
75.63065	0.6
79.05497	1.1
81.03416	1.2
81.07069	2.1
82.99879	0.7
83.04981	1.1
83.08627	1.5
84.04527	0.8
84.08151	1.5
85.02924	1.1
85.06547	6.1
86.09704	1.5
91.05486	1.9
93.07070	1.7
93.32117	0.6
95.04972	100.0
95.08630	0.6
96.05279	1.1
97.02937	0.8
98.97607	0.9
99.04460	10.2
100.07662	0.7
100.11254	8.9
101.00876	6.0
101.05997	0.8
105.07008	2.9
107.08609	2.6
109.06521	2.2
111.08098	0.9
112.07629	1.1
119.01920	10.3
119.04929	1.1
119.08578	1.8
121.10145	1.8
123.08051	1.0
127.87246	0.6
129.09146	0.7
129.10132	0.7
129.12682	0.9
131.01906	2.0
131.08585	2.5
133.10133	4.1
135.08070	0.8
137.02997	0.7
140.07080	0.9
143.01900	14.6
145.03464	1.8
145.10196	0.7
147.04413	5.9
147.11719	2.2
149.13249	0.8
151.11205	1.1
153.09119	11.5
155.01848	1.2
158.99718	0.7
161.02966	30.9
163.03947	1.0
163.11227	0.8
173.02980	1.9
173.13245	3.9
182.15419	2.3
184.04521	1.2
184.09785	1.0
191.14401	1.7
203.04012	15.4
203.05734	1.3
209.15344	1.4
210.14948	2.6
211.08244	0.8
219.01854	0.7
221.05011	3.7
233.10307	0.7
237.09621	0.7
239.11282	0.8
244.06670	0.9
247.11882	1.0
249.13376	1.5
251.11276	1.1
263.06155	3.0
267.14545	1.4
273.13446	4.2
291.09177	0.8
291.14444	7.8
291.19580	1.1
303.14505	2.0
309.15488	7.3
321.15756	1.0
327.16763	0.7
337.21313	0.7
339.16422	0.8
351.16629	8.6
369.17627	6.1
375.16602	1.4
393.17627	3.1
411.18683	26.7
412.18820	1.2
429.19678	2.5
471.21964	4.5
471.35440	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	471.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
53.18259	0.5
55.01891	1.0
55.05529	0.7
56.05042	6.0
68.05044	0.8
69.03446	0.8
69.35499	0.5
70.06599	100.0
71.04992	1.4
71.54795	0.7
72.08159	14.6
75.73874	0.5
80.05022	1.0
81.03391	0.5
82.06622	0.7
83.06116	1.8
84.04511	96.4
84.08138	1.5
85.02914	1.6
85.04834	0.6
93.07033	0.8
94.06570	3.1
98.06075	1.2
98.97585	0.8
99.04484	3.4
100.40074	0.5
101.00915	0.6
102.05555	2.0
108.08111	2.2
116.07103	42.2
119.01980	0.5
120.08099	0.6
122.06020	1.0
126.09169	2.7
129.06602	1.5
130.05019	22.1
130.08655	1.5
135.09198	10.6
136.06631	0.9
136.07593	10.1
137.10739	11.2
138.05508	1.4
138.09146	5.7
143.01875	0.9
154.08652	11.8
155.11804	0.6
157.01437	0.4
163.08586	1.7
164.07077	1.6
167.08180	4.6
168.06580	0.7
173.02957	0.7
181.09743	10.3
182.08147	36.6
183.11292	3.3
184.09644	1.1
185.02989	0.5
195.07634	3.0
199.10802	2.9
201.12274	1.0
209.09210	1.4
212.49390	0.5
213.08592	1.6
219.01657	0.8
223.07158	6.5
226.11853	1.1
227.10275	5.9
228.08563	1.0
241.05879	0.9
241.08203	12.6
242.06602	0.6
244.13007	1.1
245.04912	1.6
245.11357	6.8
251.42351	0.5
258.37436	0.5
264.13397	0.7
266.15030	0.6
292.12897	6.8
294.14508	3.9
309.07535	0.6
310.14020	11.4
312.15591	3.8
320.12564	3.3
338.09766	0.9
338.13470	14.0
339.11636	0.5
356.14548	29.3
357.12750	1.4
365.22015	1.1
374.15445	0.6
409.20822	10.9
427.21768	1.2
435.18872	0.8
453.19864	30.8
454.18112	2.1
471.20972	13.7
472.20963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05511	1.7
56.05040	5.9
68.05043	0.9
70.06599	100.0
70.48710	1.7
71.04998	1.4
72.08165	14.1
83.06105	2.7
84.04511	95.5
85.02897	1.4
93.07040	0.9
94.06561	4.2
99.04457	2.3
102.05544	1.8
108.08132	2.7
116.07101	40.9
118.06568	1.3
120.08212	0.7
122.06062	1.9
126.09141	3.4
129.06561	1.9
130.05017	20.3
135.09195	11.8
136.07584	8.6
137.10744	10.0
138.09155	5.5
142.08694	1.3
154.08662	10.1
163.08649	1.6
164.07095	1.3
167.08138	3.8
168.06537	1.8
177.14978	0.8
181.09721	11.0
182.08138	37.5
183.11320	2.3
184.09753	0.7
195.07697	3.0
199.10776	2.6
201.12331	1.0
209.09216	1.4
213.08713	1.3
223.07175	5.1
227.10262	7.0
228.08684	1.4
234.46910	0.8
241.08208	15.2
244.12965	1.3
245.11334	5.7
292.13007	5.7
294.14432	3.1
310.14023	12.9
312.15604	4.6
320.12415	5.3
338.13461	17.4
356.14514	27.7
357.13055	2.7
361.60309	0.8
409.20819	10.6
453.19846	32.0
454.18570	1.7
455.18756	0.9
471.10791	1.3
471.20807	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	472.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83563	0.3
53.03947	0.5
55.05510	0.8
55.99459	0.4
56.96573	0.5
58.40358	0.4
59.14776	0.3
62.90683	0.3
65.03957	0.4
67.05510	6.4
68.05028	0.6
69.03442	0.5
69.07074	3.4
69.27502	3.6
70.06597	100.0
71.06940	0.7
79.05495	2.2
81.03432	0.7
81.06580	0.8
81.07061	13.4
82.06599	0.3
84.04509	0.9
84.08154	1.0
84.74096	0.3
85.02946	1.0
91.05489	0.8
93.07067	0.6
94.06576	1.9
95.04977	8.0
95.08619	3.3
97.02911	0.9
97.06544	2.2
97.10168	0.5
99.04468	0.5
101.95123	0.4
107.08616	0.4
109.10214	0.6
112.07611	12.0
113.06030	0.6
115.00783	0.4
127.03919	0.7
127.58681	0.4
130.05038	0.8
130.08699	1.2
131.08592	0.4
131.78438	0.3
137.13318	1.1
154.08711	0.7
160.61836	0.4
161.02338	0.5
163.04005	1.0
165.09166	0.6
173.02390	0.6
197.04327	0.7
215.05260	0.4
215.07071	1.0
215.53679	0.5
229.07561	0.5
238.10866	1.6
243.09221	0.5
256.11826	2.2
259.09784	0.7
260.10034	0.6
267.09232	1.2
268.09485	0.9
274.12866	5.3
286.10464	0.8
292.13913	8.1
292.16901	0.5
300.11194	0.8
317.12549	0.4
318.12213	1.6
336.12894	13.6
336.16803	0.7
427.13785	0.4
455.13498	0.6
473.14282	5.7
473.24197	0.7
480.23578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.0
57.03418	0.5
65.03941	0.8
67.05508	11.1
68.05027	0.7
69.03451	0.8
69.07073	4.6
69.29896	3.1
70.06597	100.0
71.04977	0.4
71.06918	1.2
79.05497	3.5
81.03422	0.8
81.07061	17.5
82.07372	0.6
83.04998	0.5
84.08142	2.3
85.02920	1.8
91.05486	1.0
93.07065	0.9
94.06589	3.2
95.04978	12.6
95.05562	0.9
95.08615	4.0
97.02940	1.2
97.06550	4.3
98.06871	0.7
98.97611	1.0
107.08619	0.6
109.02919	1.0
112.06826	1.0
112.07613	19.5
119.08549	0.5
124.07613	0.4
125.06902	0.5
127.03948	1.2
127.83115	0.4
130.05022	0.7
130.08665	2.1
136.07628	0.8
137.13300	0.8
145.02930	0.5
148.06058	1.0
154.08659	1.2
161.02402	0.8
163.03958	2.3
164.04224	0.5
165.09113	0.4
172.09744	0.9
173.02437	1.6
178.08687	0.5
185.09639	0.4
191.14214	0.5
197.04288	0.9
214.10779	0.5
215.05312	1.6
215.07140	1.6
220.09749	0.4
229.07785	0.5
238.10756	2.3
256.11798	3.6
259.09787	2.4
260.10040	1.0
274.12857	10.1
274.15662	0.6
292.13931	17.4
296.60291	0.5
299.09015	0.7
300.10876	0.6
318.11722	2.0
336.12897	16.5
427.14197	0.7
455.13345	2.0
472.16754	2.0
473.14246	14.4
473.24631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.7
56.96555	5.5
57.96901	2.7
60.04523	6.1
61.02907	2.2
67.05490	6.4
68.05817	2.4
69.07062	6.4
69.43007	17.3
73.06509	2.5
81.07034	3.9
83.04971	2.4
85.02917	6.7
86.09706	100.0
91.03964	3.6
93.07033	3.8
95.08606	4.4
119.08631	2.2
147.19254	2.2
182.33972	2.8
186.14885	90.7
193.09039	2.3
214.14368	31.5
257.07129	2.4
267.08856	2.8
285.09970	3.3
314.19647	19.6
332.10965	2.3
399.28537	35.8
427.27972	3.8
435.86835	2.4
472.40015	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	473.1293
Annotation	Clofazimine
Peak:m/z	Relative Intensity
50.77445	2.8
53.03952	7.6
55.01883	4.0
57.03413	3.6
61.02930	4.6
62.21850	2.7
64.82455	2.8
68.44392	2.8
69.03436	18.2
70.06583	6.8
70.98811	5.1
71.04988	9.5
73.02924	6.5
74.36194	2.7
79.05499	4.9
81.03416	25.5
84.04526	3.4
85.02911	66.1
86.09735	4.5
93.82831	3.5
95.04999	27.1
96.05295	4.6
97.02901	39.1
99.04466	44.9
103.03948	64.3
109.02900	29.6
111.04443	3.1
116.07101	4.7
127.02973	4.8
127.03926	100.0
139.03937	10.1
145.04977	58.5
149.02362	9.4
153.09117	2.9
154.43143	3.1
163.02711	7.2
163.03998	4.1
163.06052	11.2
167.03415	70.6
180.39278	3.4
182.08125	4.1
187.06047	7.6
191.03416	4.1
205.03731	3.6
209.04384	17.8
245.11304	4.2
261.14456	3.6
271.08041	5.2
277.26645	3.4
396.30408	3.5
413.18289	5.3
473.16187	5.6
473.23700	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.05503	9.4
56.96562	7.6
57.38698	3.0
67.05518	15.4
68.73293	2.9
69.03426	9.7
69.07064	4.0
70.06195	5.5
70.06595	94.5
71.04977	7.5
71.55064	4.8
72.08149	15.6
75.73360	2.6
76.84453	2.6
78.49050	2.7
79.05475	7.8
81.03412	25.3
81.07048	8.0
83.04961	7.5
83.08610	9.7
84.04507	43.3
84.08163	6.0
84.50909	2.6
85.02898	11.4
85.06538	8.3
86.09715	14.0
91.05471	11.1
93.07039	10.3
95.04964	8.6
95.08605	55.9
96.04489	14.4
97.02966	5.6
97.10173	3.1
98.06049	2.9
98.97581	6.6
99.04452	8.3
105.07021	8.0
107.08591	10.0
107.19390	2.9
109.06532	3.1
109.10150	3.7
111.04377	3.6
111.08036	3.4
113.06012	4.0
116.07100	87.8
116.98606	3.8
119.08591	11.0
120.74706	3.9
121.06445	4.1
121.10136	13.4
123.08085	15.1
127.03854	4.6
129.07033	4.1
129.10236	4.1
130.05025	12.0
131.08577	6.9
133.10152	6.6
135.11673	8.3
136.07629	3.4
145.04912	5.2
147.08044	3.4
147.11696	7.7
149.09619	22.8
151.07469	3.3
158.99577	2.9
161.13257	9.1
163.11212	8.8
165.12741	3.6
177.05524	4.4
182.08109	27.4
184.09697	9.0
189.12730	11.4
193.12218	10.8
194.15434	3.6
204.13908	5.7
207.13773	34.6
211.13318	27.9
219.01761	3.4
222.14883	6.9
228.08685	17.6
237.02951	4.2
245.11336	100.0
250.14395	26.6
268.15427	13.1
275.08380	4.0
311.15002	3.5
315.08569	4.4
352.09192	2.8
409.35889	3.3
429.22223	9.2
455.13303	8.8
473.14081	16.2
473.23871	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.9
55.15371	2.3
56.96588	4.0
58.86558	2.9
59.33667	2.9
67.05512	18.6
69.03429	6.9
70.06603	87.8
71.00240	6.8
72.08166	7.3
79.05505	9.2
81.03424	14.3
81.07058	9.4
83.05001	8.4
83.08603	6.4
84.04513	43.6
85.02922	9.9
85.06557	6.9
86.09711	7.0
87.00849	4.0
91.05502	7.0
93.07071	9.3
95.04978	6.7
95.08618	57.9
96.04520	5.8
97.02895	2.9
98.16446	2.5
98.97660	3.1
99.04453	5.2
105.01866	5.4
105.07038	8.2
107.08604	8.1
109.02897	2.6
109.10231	3.8
111.08088	4.5
113.06034	5.1
116.07110	76.4
119.08586	16.0
121.10163	8.1
121.69904	2.3
123.08067	24.3
127.03960	4.1
129.07024	3.4
130.04993	16.4
131.00183	3.6
131.08588	2.8
133.10204	4.2
135.11711	11.3
137.09666	3.0
147.08092	3.0
147.11742	7.8
149.01239	5.2
149.09625	26.9
153.05392	2.5
161.13226	7.2
163.11255	3.1
165.12776	4.2
179.14374	2.9
182.08195	18.8
184.09723	3.4
189.12776	10.4
190.54939	3.0
193.12236	9.1
206.58487	2.5
207.13815	42.8
211.13350	13.5
225.14879	7.1
228.08661	16.1
239.03322	3.5
245.11369	100.0
250.14384	11.0
268.15509	5.0
299.09427	2.7
429.21860	6.1
473.13989	5.8
473.23795	9.7
477.58441	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
55.05503	13.6
55.77295	4.2
56.90663	3.8
57.03434	8.3
67.05496	5.9
69.03429	20.7
69.07080	4.8
69.96504	20.7
70.06581	5.7
71.04997	7.1
72.08159	6.5
73.02919	6.5
77.51124	4.4
79.05492	11.6
81.03426	19.8
81.07053	16.5
83.04976	8.1
83.08578	4.1
84.77317	4.1
85.02919	28.0
86.09695	12.5
87.00828	13.2
91.05483	11.2
93.07033	21.5
95.04967	10.2
95.08588	10.5
97.02888	15.8
97.06544	11.9
98.97590	10.4
99.04438	10.0
100.11250	8.8
105.01856	7.0
105.07034	23.1
107.04951	6.7
107.08606	44.5
109.02879	13.2
109.06548	54.1
109.10114	4.4
111.04448	3.8
115.05416	5.6
119.08589	16.7
121.10143	31.1
123.08094	41.5
123.11724	15.6
125.09622	10.9
127.03928	23.1
131.08543	7.5
132.95837	12.3
133.10129	9.8
135.11705	4.5
137.09650	4.6
137.13330	6.2
139.11230	4.8
145.02908	4.3
145.04938	5.2
145.10188	8.6
147.11697	18.8
149.09628	59.6
151.07544	10.4
159.02869	4.0
161.09532	4.9
163.03891	5.0
163.11134	9.6
165.09096	8.4
165.12752	14.3
167.10669	15.1
168.53349	3.8
171.11690	5.8
174.96945	25.2
177.12787	6.8
179.14366	7.4
180.07593	3.8
189.12737	13.4
191.10597	3.9
207.13831	100.0
225.14923	25.0
249.15030	4.9
256.03601	11.9
260.96957	8.5
262.23154	4.5
267.06683	5.3
283.06079	7.3
294.79697	4.0
299.05402	16.3
299.08795	6.4
301.06815	4.8
332.47861	4.6
396.74994	5.3
427.13794	6.2
429.20975	5.8
455.13358	13.1
473.14044	65.5
473.20795	26.3
473.34082	23.3
473.83633	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69933	2.2
52.35175	1.8
53.03945	3.3
55.01875	2.5
55.05510	7.1
56.96553	2.9
66.91082	2.2
67.05511	6.1
69.03439	12.0
69.07075	3.4
70.06596	6.1
71.04984	4.4
71.54756	1.8
72.08150	3.2
73.02909	2.9
73.35963	2.0
79.05493	4.8
81.03424	14.1
81.07037	5.3
83.05013	3.6
84.04515	2.6
84.08138	2.8
85.02901	15.6
86.09694	10.1
87.00821	8.5
91.05489	8.6
93.07057	11.3
95.04983	3.4
95.08607	49.2
95.67738	2.1
97.02901	8.2
98.97595	2.9
99.04440	6.7
103.05449	2.2
105.01832	2.9
105.07032	14.6
107.08574	11.7
109.02887	6.6
109.06538	5.8
117.07032	2.5
119.08587	26.6
121.06534	3.2
121.10162	14.8
123.07269	2.0
123.08050	9.8
127.03929	8.6
128.06171	2.0
131.08563	2.7
132.95833	15.2
133.06494	6.4
133.10129	17.3
135.11710	34.2
137.05991	11.2
137.09637	6.1
137.13235	3.3
144.95740	2.2
145.04973	3.2
145.10132	4.7
147.04350	2.2
147.08023	4.0
147.11708	16.9
148.84000	2.0
149.09642	12.5
150.96884	5.3
151.07533	6.3
159.02869	3.6
161.09621	2.6
161.13269	57.5
163.03946	3.0
163.11172	3.6
165.12794	2.3
174.10468	3.2
174.96907	19.0
179.14337	5.4
189.12759	43.3
192.97839	2.1
193.15891	2.2
200.94879	2.6
207.13802	39.3
218.95930	2.6
225.14885	10.0
260.97003	4.3
299.09006	8.3
299.33292	2.1
339.57968	1.8
427.13727	7.5
455.13266	17.0
473.14236	100.0
473.19833	4.8
474.14496	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	473.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53929	1.3
55.05515	7.2
56.05022	5.0
56.96562	1.2
63.99527	1.3
68.05032	1.3
70.06596	62.6
70.20750	5.1
72.08160	83.9
83.06108	1.6
84.04510	100.0
84.08130	1.7
85.02894	5.4
86.09689	3.9
88.03935	1.3
91.05478	1.5
94.06545	3.2
95.04938	1.3
95.06045	1.6
96.36351	1.4
97.02901	1.3
98.97582	3.0
99.04427	3.8
102.05534	1.8
105.03422	1.7
106.06526	1.1
108.08125	1.4
109.06461	1.4
110.09669	3.7
110.97564	1.3
113.09616	1.3
114.09966	1.2
116.07111	18.5
118.08659	22.0
122.06036	1.3
126.09170	1.8
127.03909	1.5
128.42712	1.1
129.06599	2.4
129.10210	1.5
130.05013	20.9
130.06500	2.4
135.04446	2.1
135.09152	6.0
136.07585	8.6
137.10744	13.8
138.09177	11.7
147.04402	1.9
154.08611	6.3
156.10211	16.6
163.03949	7.7
167.08174	3.9
168.06519	2.0
181.09727	5.2
182.08157	20.0
183.11284	5.8
184.09714	20.0
195.07700	4.4
199.10721	1.5
201.12340	3.1
213.08681	3.1
213.12273	1.4
223.07181	7.1
227.10243	3.7
229.11819	2.7
237.02829	1.5
241.08244	11.5
245.11292	5.3
247.12955	3.1
292.13113	2.5
294.14444	10.2
310.14008	3.8
312.15536	23.8
320.12332	2.9
322.14069	3.0
338.13525	7.2
340.15048	6.4
341.13052	1.5
356.14590	12.0
358.16077	15.2
411.22278	5.5
449.31259	1.4
455.15329	2.4
455.21423	39.5
456.19952	3.6
472.32315	1.4
473.15787	3.3
473.22495	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	473.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84230	1.1
53.03933	1.5
55.05513	5.8
56.05026	1.9
57.75288	1.1
67.05527	6.6
69.03425	2.2
69.07070	2.8
70.06597	92.9
71.04977	2.7
71.25706	1.9
71.26051	1.3
72.08153	9.1
72.55381	1.1
79.05502	6.3
81.03427	13.9
81.07063	7.2
83.04995	5.9
83.08607	5.4
84.04509	45.8
84.08138	1.2
85.02895	3.4
85.04803	1.2
86.09708	5.7
91.05475	5.6
93.07080	6.1
94.06535	1.6
95.04961	5.1
95.08607	6.8
96.04495	11.0
97.10129	1.4
98.06036	4.0
99.04446	8.2
102.05556	1.5
105.07005	3.7
107.04945	1.3
107.08607	1.5
109.06509	1.9
115.03868	1.2
116.07095	76.3
119.08577	4.4
121.10136	4.1
123.08043	2.9
123.11673	1.8
124.03938	1.2
126.09212	1.2
129.07001	2.3
130.05014	13.8
131.08574	2.8
133.10065	1.9
136.07573	2.2
138.09108	2.3
139.11125	1.5
147.11707	3.1
149.09602	7.5
150.70700	1.1
154.08685	1.4
157.10097	3.7
165.12839	1.4
167.10776	1.3
175.11189	2.4
182.08124	23.2
182.09720	1.5
184.09747	5.6
184.13263	1.5
193.12245	11.5
194.15448	2.1
201.12263	1.5
204.13838	3.7
207.13812	2.9
211.13292	22.0
222.14931	2.8
225.14764	3.1
228.08673	17.4
243.17000	1.9
245.11339	100.0
246.11703	2.0
250.14403	19.2
268.15454	12.4
296.15024	2.8
314.15979	2.0
395.71906	1.2
429.22379	9.5
455.13110	2.0
455.23895	2.5
473.14713	6.0
473.24698	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	473.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01861	1.3
55.05523	5.4
56.05042	2.4
56.96552	2.2
57.03428	1.6
65.03951	1.4
66.03103	1.1
67.05505	7.8
68.05049	2.5
69.03427	2.8
69.07056	2.7
69.21630	11.2
70.06599	87.2
71.04987	3.6
72.08156	10.6
79.05502	7.6
81.03422	19.6
81.07047	7.3
83.04989	6.3
83.08620	6.1
84.04504	37.4
84.08139	3.2
85.02898	6.9
86.09711	8.8
87.04477	1.3
89.99854	1.1
91.05487	9.6
93.07073	7.4
94.06595	1.4
95.04975	8.7
95.08628	7.0
96.04501	15.8
96.05162	1.4
96.05289	1.0
97.02868	2.9
97.10155	1.8
98.06047	3.6
98.97594	2.0
99.04461	9.0
102.05552	1.9
103.05457	1.2
105.07066	6.9
107.04955	2.0
107.08583	4.1
108.08096	1.5
109.06500	1.8
110.06052	1.6
111.08052	3.2
112.94577	1.0
114.05511	1.4
116.07101	86.6
119.08607	6.5
121.06465	1.5
121.10153	5.4
123.08052	3.7
124.03954	3.5
126.09143	1.6
127.03842	1.2
127.78725	1.2
129.06984	3.0
129.10194	1.2
130.05016	15.9
130.37486	1.4
131.04962	2.0
131.08556	5.2
133.06462	1.5
133.10165	3.2
135.08110	1.2
136.07591	2.8
137.06009	1.3
138.05566	1.3
138.09123	2.7
142.04984	1.8
147.11661	3.4
149.05959	1.3
149.09624	11.1
152.07117	1.2
154.08659	2.3
157.10085	3.3
163.11151	2.0
165.12718	2.2
175.11209	3.8
182.08147	23.5
182.09752	1.4
183.89709	1.3
184.09731	7.3
184.11095	1.2
192.07806	2.4
193.12254	12.7
194.15462	2.6
199.10782	1.8
202.14407	1.2
204.13757	2.8
207.13765	6.4
211.13289	23.5
213.37260	1.2
219.01787	1.3
222.14943	5.2
227.10271	2.0
228.08681	17.9
245.11351	100.0
246.11746	1.9
250.14386	22.8
268.15497	10.3
281.08011	1.4
296.15115	1.3
299.05551	1.3
299.08798	1.4
314.15982	1.4
323.34659	1.3
326.82727	1.4
429.22360	6.4
455.12961	3.7
455.24017	1.9
473.14365	8.6
473.23773	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	473.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	1.5
53.03952	10.6
54.72471	1.7
55.01878	5.0
55.05519	21.3
56.96575	1.6
57.03441	4.2
65.03951	5.9
67.05515	60.8
69.03442	3.5
69.07092	8.9
71.05001	3.6
76.07244	1.7
77.93941	1.5
79.05502	65.4
79.05966	3.2
79.83937	1.7
81.03429	100.0
81.06586	2.8
81.07067	41.9
83.04992	13.6
83.08627	19.6
85.02932	1.6
85.06547	1.9
91.05495	63.1
93.07060	47.1
95.04982	36.0
95.05561	2.8
95.08619	23.2
97.02921	5.5
97.06544	6.4
97.10197	6.5
105.04522	2.2
105.07047	42.1
107.04980	13.7
107.08614	18.3
109.06542	5.9
109.10191	8.8
111.08109	8.5
115.05475	4.5
117.07019	11.1
119.08596	28.8
121.02905	2.1
121.06540	6.9
121.10199	7.0
123.08119	8.0
125.09652	2.3
128.06256	4.4
129.07014	25.0
131.08603	14.1
133.06543	5.2
133.10121	9.9
141.06990	3.6
142.07841	2.6
143.08554	9.7
145.06502	2.7
145.10165	9.8
147.08058	4.6
147.11711	28.7
149.02408	6.0
149.09669	5.8
155.08704	2.8
157.06548	2.3
157.10135	10.6
161.09683	3.9
161.13264	8.0
163.11266	2.5
165.09230	2.9
165.12794	2.1
167.08656	1.7
171.11700	17.9
175.11238	8.3
187.11147	1.7
189.12830	6.4
193.12273	27.2
207.13902	16.9
229.14410	2.1
249.14880	2.9
309.95029	1.9
381.20462	2.8
381.24744	3.9
385.09137	2.2
429.12503	3.3
439.27252	2.3
455.28250	2.4
473.14853	5.8
473.29276	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1738
Annotation	Raloxifene
Peak:m/z	Relative Intensity
55.53848	0.4
56.05048	0.4
56.96553	0.4
63.72856	0.3
70.06586	0.9
71.06918	0.4
71.33802	0.8
72.08154	0.9
73.48378	0.3
77.34709	0.3
83.06102	0.6
84.04503	0.5
95.06093	0.6
104.04971	0.8
105.03407	0.8
105.05788	0.6
111.05568	3.9
116.98621	0.4
120.04468	2.9
123.05561	1.2
125.05859	0.8
126.06632	2.2
129.80580	0.3
132.04462	23.9
134.06018	4.7
137.04707	1.8
151.05023	0.7
151.06155	10.3
158.05991	0.7
166.07272	0.5
177.04063	0.7
185.07126	0.4
194.06744	5.4
194.08383	0.5
195.07468	0.6
202.09744	1.5
208.08315	0.5
216.11401	0.7
227.09180	0.5
230.09398	1.7
232.10780	0.5
239.63690	0.4
242.09236	5.0
257.10339	5.4
259.09552	0.2
259.11899	11.1
284.11417	5.8
302.12479	13.5
305.12131	0.4
327.11819	3.0
345.13074	100.0
346.13254	2.5
414.07950	0.4
474.17294	10.9
475.16907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.2
55.70758	0.8
56.05017	0.8
56.96581	0.8
57.03434	0.8
69.03434	3.0
70.06586	2.6
70.69895	1.9
72.08160	11.2
75.72751	0.7
81.03450	0.8
84.04510	6.3
84.08140	4.9
85.02923	5.9
86.09715	100.0
97.02888	4.4
98.97588	2.0
110.97588	0.8
119.01878	0.9
121.72416	0.9
127.03928	4.3
129.10236	2.4
130.05029	3.5
132.04497	1.1
132.10217	81.1
136.06201	1.2
143.01959	1.2
145.04976	3.5
147.07687	2.3
152.05681	3.6
155.01825	0.9
171.14954	2.0
184.04994	1.1
199.14352	1.4
204.03893	0.9
223.06960	0.9
241.08252	1.5
245.05019	2.0
248.94772	0.9
258.10895	3.8
276.11914	1.1
281.07065	1.2
286.09561	1.0
345.13080	3.6
356.07678	1.2
474.29260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
55.05515	3.3
57.03428	4.0
59.04977	2.5
59.82386	1.8
67.05501	7.0
69.03434	8.9
69.07067	4.8
70.06602	16.4
71.04995	7.1
71.05919	4.5
79.05489	7.6
81.03419	10.2
81.07063	7.0
84.04510	4.4
85.02914	19.1
87.00835	6.6
91.05478	8.4
93.07037	6.6
94.06602	2.3
95.04957	5.5
95.08629	5.8
97.02889	6.1
97.06523	10.9
98.06882	2.2
98.97605	3.8
99.04441	3.1
105.01872	6.5
105.07020	14.4
107.08585	11.0
109.02873	6.3
109.06528	72.0
109.10150	21.5
110.79211	1.8
114.25135	2.1
117.07064	2.6
119.08578	7.2
121.10172	2.5
122.06087	3.0
123.08086	9.7
124.07576	6.1
127.03920	12.6
131.08592	25.1
133.08630	2.1
133.10132	49.8
135.08052	32.0
144.06606	2.6
145.10153	6.9
147.11691	4.4
149.09612	4.6
149.13254	2.7
153.09114	2.4
158.10924	4.3
159.02927	5.5
163.03926	5.4
167.46857	2.1
173.02322	2.3
173.13272	47.9
175.14784	2.6
177.05531	3.0
191.14314	100.0
207.13780	3.5
208.14194	2.7
209.15376	50.7
215.07076	4.0
216.05551	2.5
253.57053	1.9
259.09769	5.2
285.34579	2.0
365.53946	1.9
386.58035	1.9
456.13693	3.2
460.19724	2.3
474.14499	37.9
474.20645	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	475.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96334	2.1
56.96574	29.5
62.45131	1.5
65.24938	1.6
65.30029	1.8
67.20494	1.6
70.06606	3.7
84.96054	4.3
86.09713	5.9
98.97599	27.4
107.99408	1.7
112.99139	5.2
115.00715	2.4
116.98653	8.8
121.02890	2.4
127.00705	28.4
131.00171	5.2
145.01744	66.2
145.05011	1.7
147.03287	2.0
158.99657	7.9
159.03282	2.5
163.02798	34.9
169.05415	2.5
177.00705	6.5
181.03825	3.7
187.02814	6.5
201.04372	3.5
205.03880	3.1
209.08527	10.4
219.01740	2.9
221.48540	1.8
227.09567	30.8
236.59004	1.5
237.02696	2.9
237.07945	3.2
245.10690	11.5
251.09592	4.0
255.09099	10.2
269.10626	100.0
270.11020	2.4
273.10034	2.5
281.10657	2.6
283.12210	18.3
287.11694	11.6
297.10001	1.7
307.60782	1.8
311.11661	27.4
329.12643	5.7
341.12787	5.4
371.13992	3.2
389.14844	44.0
407.16003	8.1
431.16104	21.9
447.12909	2.0
465.99286	1.8
475.15753	49.6
475.23080	2.7
475.25455	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96334	2.1
56.96574	29.5
62.45131	1.5
65.24938	1.6
65.30029	1.8
67.20494	1.6
70.06606	3.7
84.96054	4.3
86.09713	5.9
98.97599	27.4
107.99408	1.7
112.99139	5.2
115.00715	2.4
116.98653	8.8
121.02890	2.4
127.00705	28.4
131.00171	5.2
145.01744	66.2
145.05011	1.7
147.03287	2.0
158.99657	7.9
159.03282	2.5
163.02798	34.9
169.05415	2.5
177.00705	6.5
181.03825	3.7
187.02814	6.5
201.04372	3.5
205.03880	3.1
209.08527	10.4
219.01740	2.9
221.48540	1.8
227.09567	30.8
236.59004	1.5
237.02696	2.9
237.07945	3.2
245.10690	11.5
251.09592	4.0
255.09099	10.2
269.10626	100.0
270.11020	2.4
273.10034	2.5
281.10657	2.6
283.12210	18.3
287.11694	11.6
297.10001	1.7
307.60782	1.8
311.11661	27.4
329.12643	5.7
341.12787	5.4
371.13992	3.2
389.14844	44.0
407.16003	8.1
431.16104	21.9
447.12909	2.0
465.99286	1.8
475.15753	49.6
475.23080	2.7
475.25455	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05519	1.1
57.03437	0.5
63.76228	0.5
64.52037	0.5
67.05488	0.5
69.03420	1.8
69.07061	0.9
70.99178	1.0
71.04985	0.8
72.08161	3.8
79.05489	0.8
81.03432	2.5
81.07050	1.9
81.58404	0.5
83.04964	0.5
84.04493	1.4
85.02919	4.0
85.06555	0.7
86.09718	0.7
87.00825	2.0
91.05477	1.8
93.07047	2.0
95.04967	4.4
95.08574	1.1
97.02891	1.4
97.06543	1.8
99.04456	1.6
99.08116	0.8
105.01853	1.4
105.07061	2.6
107.08603	1.8
109.02883	1.7
109.06536	3.6
109.10155	1.3
111.08086	1.0
118.08667	2.0
119.08566	1.7
121.10137	2.5
123.08075	0.6
123.11688	0.9
127.03928	3.5
129.12486	0.4
131.08604	1.8
133.10144	7.1
135.08113	1.0
135.11623	0.6
139.11183	0.7
145.04857	0.5
145.10193	0.7
147.11699	2.6
147.43886	0.5
149.09644	0.6
153.09128	2.0
158.10878	0.6
159.02933	0.7
163.14813	0.9
165.12776	0.8
171.10233	0.5
173.13295	3.5
178.88162	0.4
184.09792	1.3
191.14310	4.8
193.12253	0.7
209.15398	9.8
218.79652	0.6
227.16452	5.3
230.10292	0.5
234.14880	0.7
247.12959	4.1
250.14394	0.9
275.66690	0.5
413.22913	0.9
431.23648	0.9
475.32602	100.0
476.32806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05510	0.8
57.03431	0.5
66.40039	0.3
67.05529	0.4
69.03438	2.5
69.07068	0.5
69.63927	0.3
71.04993	1.0
71.21075	0.3
71.21423	0.6
72.08155	3.1
79.05498	1.3
81.03428	1.6
81.07042	1.7
81.73557	0.4
84.04507	1.2
85.02909	3.1
85.06558	0.6
86.09705	0.6
87.00844	1.9
91.05473	1.5
93.07040	1.3
95.04963	3.3
95.08607	1.1
97.02910	1.3
97.06540	1.0
99.04462	1.2
99.08136	0.5
105.01881	0.8
105.07035	1.9
107.08607	1.8
108.95088	0.4
109.02885	1.4
109.06528	3.2
109.10152	1.1
111.08085	0.5
115.07596	0.4
118.08656	1.6
119.08598	1.1
121.10135	2.4
123.08033	0.8
123.11713	0.4
127.03916	2.3
131.08554	1.0
133.10136	5.4
135.08078	0.9
135.11653	0.4
137.06026	0.4
145.04967	0.8
145.10133	0.5
147.11707	3.0
149.13278	0.7
151.11285	0.4
153.09126	1.6
159.02957	0.4
163.11128	0.5
165.12746	0.5
170.74974	0.4
171.10231	0.4
173.13298	3.2
175.14799	0.4
184.09703	1.0
191.14317	4.7
192.18365	0.3
209.15402	8.1
227.16438	4.3
230.10303	0.6
231.05142	0.4
247.13000	2.4
250.14366	0.5
268.15500	0.4
305.44843	0.4
413.22855	0.7
457.31555	0.6
475.32596	100.0
476.32721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01881	10.8
55.05517	33.1
57.03442	9.3
59.05005	1.9
63.58268	1.6
64.53203	1.6
67.05171	3.0
67.05511	41.1
69.03411	3.7
69.07082	8.6
69.96781	5.2
71.04987	3.5
79.05064	3.0
79.05503	39.5
81.03424	18.8
81.07059	30.4
83.05000	6.3
83.08638	15.1
91.05495	30.8
93.07043	21.1
95.04987	14.9
95.08611	19.5
97.06544	1.7
97.10179	19.3
98.21551	1.7
103.05468	3.6
105.03367	2.2
105.07033	17.0
107.04955	13.0
107.08604	15.1
109.02885	4.7
109.06525	4.7
109.10169	12.5
111.04470	2.9
111.08096	4.2
115.05445	5.3
117.07011	14.9
119.04932	6.0
119.08595	13.0
121.06519	11.3
121.10181	5.6
123.04482	3.6
123.08080	6.0
125.02370	7.0
125.09644	13.2
129.07059	13.3
131.04950	6.8
131.08583	13.6
133.06514	12.9
133.10106	5.7
133.43449	1.9
135.04451	3.4
135.08078	7.1
135.11699	3.6
137.09656	2.3
141.06998	7.3
142.07806	2.3
143.08565	9.2
145.06490	14.8
145.10138	12.1
147.04417	5.6
147.08099	9.9
147.11705	3.0
149.09651	3.4
153.07054	3.3
153.09178	2.4
154.07796	2.6
155.08556	7.4
157.06522	6.9
157.10155	5.7
159.04477	2.6
159.08067	6.0
159.11800	2.0
160.05249	7.1
161.05997	36.0
161.09575	4.1
163.07610	2.1
163.11223	7.6
165.06989	2.5
167.08571	5.0
169.06496	5.4
169.10126	6.4
171.04462	2.4
171.08049	7.4
171.11656	1.8
173.06024	6.8
173.09619	10.2
174.06761	2.8
175.07539	4.5
175.11180	3.2
181.06369	2.2
181.10126	2.2
183.08168	3.7
183.11646	2.9
185.05928	3.1
185.09657	5.6
185.13135	2.5
187.07562	4.3
187.11197	5.0
189.09158	2.9
189.11253	5.8
191.10696	3.1
193.10132	1.7
193.12276	5.2
195.08015	2.6
195.11729	5.0
197.09612	5.5
197.13322	3.2
199.11235	2.5
201.09250	2.7
201.12796	2.1
203.14371	2.1
205.12364	2.1
207.11676	3.0
209.09566	2.5
211.11188	6.6
213.12878	3.4
225.12837	3.0
227.10777	2.1
229.12383	2.6
231.13840	6.6
241.11972	2.1
243.13835	5.9
249.12766	2.4
249.15025	2.3
257.15341	2.7
269.15454	5.5
271.13297	6.6
273.14856	10.0
285.14932	2.7
287.16467	4.9
289.14383	22.8
303.16135	3.4
319.21002	2.4
337.21768	4.1
347.20087	2.0
355.22791	7.8
365.21143	22.6
383.22223	95.8
384.22296	3.8
393.24210	2.1
401.23233	43.0
402.23712	2.1
403.22455	3.2
419.24460	5.8
421.23578	3.5
431.24380	9.3
439.24802	12.2
444.11121	1.8
457.25949	65.1
458.26123	3.1
475.26971	100.0
476.27405	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43124	1.4
53.03949	3.6
53.24156	1.2
55.01868	4.4
55.05518	10.3
55.89476	1.4
57.03446	18.4
57.07084	44.0
61.02935	53.7
67.05509	18.4
69.03437	23.8
69.07071	11.2
71.01345	2.4
71.04993	2.3
71.08285	2.3
71.08642	33.3
72.08144	1.8
73.02923	23.6
76.21899	1.5
79.05497	4.3
81.03429	18.3
81.07063	20.2
83.04988	3.2
83.08632	17.5
85.02911	51.2
85.09715	1.7
85.10191	19.0
87.04463	3.3
89.75278	1.7
91.03411	2.6
91.03966	37.5
91.05490	3.4
93.07033	4.3
95.08049	2.5
95.08614	29.2
97.02898	49.4
97.10194	7.9
99.04463	9.7
101.02396	13.2
103.03932	6.5
105.07021	3.5
107.04976	2.3
109.02895	11.6
109.10168	14.3
115.03929	4.6
117.05511	2.8
123.11713	6.1
127.03927	20.8
129.05476	4.1
131.08493	2.0
132.43634	1.4
137.13287	3.2
139.14749	1.7
141.05515	1.6
145.04982	6.3
159.06540	1.9
183.06558	3.2
201.07571	4.1
221.22627	2.8
239.23727	28.6
257.24738	4.3
293.99188	1.6
313.27371	100.0
314.27670	2.6
341.26929	2.7
383.27826	2.2
457.25723	1.9
457.31787	4.2
475.32956	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	476.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01878	1.9
65.66193	0.5
68.66074	0.5
69.92906	2.1
69.98338	0.5
70.06592	1.2
72.08153	0.7
79.05499	6.3
85.02914	0.8
85.91354	0.5
86.09721	1.9
90.04715	0.6
91.05502	2.1
92.79794	0.5
94.04021	0.5
95.04948	0.6
98.21404	0.9
98.97576	0.9
103.05476	6.4
105.07043	51.2
115.05473	10.2
116.07108	0.6
116.79240	0.5
118.04150	3.8
129.35252	0.5
129.93895	0.5
131.04932	1.6
133.06506	49.2
134.06810	0.6
136.78044	0.6
143.04987	0.9
143.06062	4.0
161.05997	100.0
162.06374	1.7
163.03860	0.7
193.08626	76.0
194.08963	1.9
196.46716	0.5
284.07843	0.8
359.99634	0.5
378.54285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82363	0.7
60.04522	0.8
66.61401	0.9
69.47817	3.3
69.48226	1.4
70.06618	0.7
74.06073	0.6
81.03408	0.8
81.05807	0.8
82.09003	0.7
83.58542	0.7
84.08158	1.3
85.02900	2.7
86.09684	2.7
97.02882	0.8
98.97592	1.2
103.03893	0.7
103.60541	0.8
106.06551	2.4
115.32830	0.7
122.06030	0.8
124.07597	4.8
126.06802	0.7
127.03917	2.6
129.10254	1.4
134.06026	50.2
136.07555	0.7
145.04996	0.9
150.06694	0.9
152.07076	100.0
153.07417	1.0
163.03835	1.0
170.08136	48.6
185.00360	0.7
445.32034	0.7
458.16745	6.0
473.10193	0.7
476.17694	30.2
477.15863	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01866	1.8
55.05518	1.8
60.42760	0.9
66.25091	0.9
67.05506	1.8
69.03421	3.5
69.07066	6.0
70.85259	2.2
79.05501	1.6
81.03417	4.1
81.07051	2.0
85.02911	8.7
87.00840	4.5
91.05476	3.3
93.07076	1.9
95.08604	4.7
97.02921	3.6
99.04456	2.2
105.01878	3.4
105.07044	7.4
107.08602	3.0
109.02898	3.9
109.10175	3.0
117.07009	0.9
119.08585	29.6
121.10158	2.9
127.03938	5.0
131.08531	1.1
133.10139	27.4
145.04955	3.6
145.10095	1.6
147.11694	3.8
159.02917	1.4
160.12479	0.9
173.13213	1.4
175.14833	100.0
176.15164	2.5
177.16328	2.2
193.16011	5.1
200.45384	0.9
315.08563	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01866	2.0
55.05518	8.7
57.03435	2.1
59.13308	0.9
67.00079	1.0
67.05513	7.3
69.03420	3.4
69.07076	12.0
70.30031	3.5
71.04989	1.3
79.05526	8.1
81.03416	4.8
81.07072	11.6
83.08645	5.9
85.02913	7.6
87.00825	3.9
91.05466	5.3
93.05535	1.0
93.07054	13.9
95.04966	2.8
95.08056	1.9
95.08618	23.3
97.02911	6.1
97.06515	3.1
97.10177	5.1
97.58512	1.0
98.21402	1.3
99.04456	1.6
105.01872	3.0
105.07054	5.3
107.04951	2.2
107.08617	20.5
109.02888	3.1
109.10170	11.1
111.08152	1.2
117.07022	2.2
119.08589	4.4
121.06515	1.8
121.10162	23.2
123.08044	1.1
125.09612	3.3
127.03996	5.8
129.07013	2.0
131.08536	1.0
133.10135	2.5
135.11713	10.1
145.04958	4.1
145.06445	1.3
149.13255	4.4
159.02892	2.5
163.03992	1.5
169.10162	1.7
175.14861	5.6
176.43347	1.1
177.16406	100.0
178.16751	1.5
189.11130	1.6
193.15894	2.0
259.09509	1.7
273.14780	1.7
315.08691	1.1
384.22318	2.8
385.23764	3.4
457.17151	1.8
458.26321	1.7
459.27319	4.3
476.26962	4.0
477.28210	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01870	2.3
55.05513	8.0
67.05518	11.2
69.03435	5.2
69.07068	13.4
69.40070	9.9
79.05496	14.6
81.03423	8.4
81.07063	14.4
83.05014	1.6
83.08641	9.7
85.02924	7.8
87.00828	3.2
91.05470	9.8
93.07050	20.5
95.04974	2.2
95.08620	26.9
97.02905	5.0
97.06523	2.0
97.10162	4.2
99.04456	2.6
105.01859	2.4
105.07026	5.4
107.04974	4.2
107.08606	21.1
109.02901	2.1
109.06553	1.4
109.10160	14.1
116.14366	1.3
119.08587	5.7
121.06522	2.5
121.10155	25.9
125.09621	2.5
127.03927	3.8
129.07033	1.6
131.04988	1.2
133.10127	4.3
133.93953	1.5
135.08109	1.5
135.11708	11.4
145.04941	2.8
149.13283	3.4
159.02913	2.2
163.03886	1.8
166.61269	1.3
175.14767	7.2
177.16403	100.0
178.16734	1.8
193.12346	2.0
193.16005	3.3
315.08615	1.5
384.22620	4.7
385.23602	3.3
402.23654	2.2
403.24487	1.4
458.26068	2.7
459.27066	1.9
476.27286	9.3
477.28198	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	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01879	2.4
55.05514	8.6
56.05867	0.6
56.96575	0.7
57.03460	1.2
57.07074	0.6
61.02930	1.0
65.03945	1.1
67.05517	5.4
68.05845	0.6
69.03099	0.9
69.03422	3.8
69.07076	12.6
70.06595	0.9
71.05018	1.2
71.55517	0.5
73.02919	0.7
75.04514	0.5
77.03947	0.6
79.05505	6.1
80.05842	0.5
80.19868	0.5
81.03436	6.0
81.07069	10.5
82.07438	0.8
83.04978	1.0
83.08627	6.1
85.02924	10.5
85.03435	0.8
86.09679	0.6
87.00842	4.5
91.05490	12.6
93.07051	5.8
94.07397	0.8
95.04970	2.2
95.08613	10.0
96.08971	0.5
97.02896	4.0
97.06548	1.9
97.10191	2.3
99.04478	1.0
105.01890	6.7
105.07044	23.0
107.04964	2.3
107.08604	15.4
108.05309	0.7
109.02902	2.7
109.06471	0.7
109.10157	1.5
115.05466	0.7
117.07038	5.5
119.08594	85.0
120.08945	0.9
121.02787	0.6
121.06506	1.5
121.10172	5.4
122.86945	0.5
123.08127	0.9
123.10766	0.5
123.11717	3.3
125.09633	1.3
127.03922	4.7
128.98497	0.5
129.07013	1.3
131.08577	2.4
133.10144	26.9
135.11707	3.6
139.80978	0.5
145.04967	2.8
145.06567	0.7
145.10144	3.1
147.11694	3.8
149.09625	0.7
157.10205	0.7
159.02927	2.1
161.13306	0.9
163.03935	0.9
163.11211	1.3
171.07959	0.7
173.13301	1.1
175.14841	100.0
176.15175	2.1
183.08281	0.6
183.11624	0.6
185.70454	0.6
189.11189	0.8
193.12274	1.2
193.15872	1.0
215.07095	0.7
227.12822	1.8
228.13097	0.7
231.05072	0.9
249.06105	1.2
270.15536	0.7
272.06628	1.0
273.15085	0.8
300.06235	1.5
315.08670	4.4
349.21561	0.7
359.12949	0.6
366.21188	0.6
367.22681	1.5
384.22430	2.8
385.23615	1.9
402.23590	0.7
403.24692	0.9
420.39676	0.6
458.26117	2.4
459.27377	2.3
476.14966	1.2
476.26959	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01860	0.4
55.05515	7.7
57.03197	0.6
57.03442	7.4
57.07078	0.6
60.76196	0.4
62.06077	0.5
64.40849	0.3
65.03927	1.6
67.05508	30.4
69.03416	0.6
69.06725	0.5
69.07071	7.6
69.84131	1.7
71.04986	0.9
74.39836	0.4
77.03912	0.3
79.05496	16.6
81.03405	0.8
81.07060	27.5
83.04980	0.8
83.08614	3.0
83.50523	0.4
85.06542	0.8
91.05487	6.9
92.05801	0.3
93.07046	16.4
95.04955	1.2
95.08609	19.9
96.08934	0.4
97.06550	0.9
97.10139	1.0
98.98439	0.4
105.04527	0.5
105.07040	4.6
106.29552	0.3
107.08601	7.7
109.06504	0.7
109.10158	7.0
117.07032	1.8
119.08562	2.8
121.10145	6.4
123.08039	0.6
123.11704	1.6
125.09634	0.3
131.08546	1.9
133.10127	2.2
135.11688	3.6
137.13274	0.7
145.10138	2.1
147.11710	1.1
149.13242	1.5
159.11777	0.5
161.13258	1.3
173.13255	0.7
179.29968	0.3
181.40182	0.4
216.06242	0.7
261.22174	0.7
275.67218	0.4
300.05905	0.4
304.26392	1.9
335.25809	100.0
336.25949	1.8
356.86292	0.3
364.11880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.05516	8.8
55.25482	1.0
57.03463	4.6
57.07072	1.0
57.56231	0.9
62.06096	38.0
65.03949	1.3
66.05103	1.1
66.32753	1.0
67.05512	31.6
69.07082	9.4
69.86710	1.0
69.87052	5.5
71.04976	0.9
72.45472	1.0
76.71316	0.9
79.05059	1.6
79.05497	21.1
81.03426	2.4
81.06585	1.5
81.07066	30.0
82.07426	1.2
83.04996	1.1
83.05771	1.1
83.08630	4.2
91.05492	12.3
93.07046	26.0
95.04971	2.6
95.08621	21.0
97.06522	1.2
97.10171	1.3
98.06071	1.7
98.21482	1.5
98.98470	10.3
105.07061	8.3
107.04932	1.3
107.08611	10.8
109.10167	8.3
111.08092	1.1
113.09550	1.0
117.07025	2.9
119.08604	7.1
121.10162	7.5
123.11697	1.6
124.01596	2.1
131.08574	4.2
133.10133	6.7
135.11716	4.3
145.10185	2.4
147.11694	3.3
149.09685	1.1
149.13315	2.7
152.97794	1.0
155.01033	3.5
159.11630	2.0
161.13264	2.3
163.14754	1.5
173.02145	4.0
175.14850	1.2
198.05324	2.3
216.06331	5.9
243.21161	3.3
250.02399	0.9
261.22165	8.5
261.80963	1.2
304.26419	18.2
317.24747	1.6
335.25821	100.0
336.26111	2.8
393.37024	1.0
415.22552	1.4
458.26700	6.1
476.27463	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	477.1398
Annotation	Kakkalidone
Peak:m/z	Relative Intensity
53.03919	0.2
54.56354	0.2
55.01849	0.3
55.05518	1.2
56.76475	0.2
56.96553	0.2
57.03419	0.2
67.05511	1.4
69.03410	0.3
69.07025	0.6
70.85212	0.3
70.85521	0.2
79.05492	1.5
81.03379	0.8
81.07048	1.3
83.04977	0.3
83.08579	0.7
85.02840	0.3
91.05507	1.0
93.07056	0.9
95.04964	0.8
95.08620	0.9
95.09084	0.2
97.06523	0.5
97.10200	1.2
98.97574	0.2
100.42253	0.2
103.05424	0.2
105.03414	0.2
105.06995	0.6
107.04963	0.9
107.08558	0.8
109.06478	0.2
109.10135	0.4
117.07014	0.4
119.04910	0.2
119.08553	0.4
121.02802	0.3
121.06481	0.8
121.10104	0.2
125.09606	0.8
129.06999	0.4
131.08534	0.4
133.10081	0.5
135.08032	0.4
135.11693	0.2
137.09544	0.2
138.37202	0.2
143.08516	0.4
145.06450	0.5
145.10075	0.4
147.04420	0.3
147.08076	0.3
147.11673	0.4
149.09583	0.4
152.80797	0.2
153.01805	0.3
153.09052	0.2
154.02541	0.2
155.08585	0.2
157.10100	0.3
161.09694	0.2
163.03937	0.3
163.07387	0.2
175.11110	0.4
189.11206	0.6
193.12247	0.5
215.06978	0.2
227.12654	0.3
233.15350	0.4
241.14391	0.2
242.05742	1.0
245.15189	0.2
253.05029	0.2
254.05716	1.0
257.04468	0.4
270.05167	0.8
271.06036	8.4
272.06699	0.6
273.14767	0.5
285.03995	1.4
286.04758	2.4
297.04065	0.6
299.05521	31.2
300.06299	7.5
315.08636	100.0
316.09048	1.3
333.51019	0.2
349.21808	0.5
357.24426	0.3
358.19077	0.2
367.22418	1.0
371.97104	0.2
385.23865	1.8
403.24911	0.5
427.04459	0.3
433.25751	0.2
459.07095	0.4
459.27374	1.6
477.14444	0.6
477.28387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1391
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
68.67633	0.3
70.99035	0.7
89.94738	0.3
110.73943	0.3
159.43971	0.3
172.63260	0.4
209.10834	0.3
229.04973	2.5
257.04449	3.7
269.04385	0.3
272.06781	9.7
273.37991	0.3
283.06262	0.4
285.03979	0.9
299.05563	1.0
300.02774	0.7
300.06299	32.1
315.08633	100.0
316.08914	2.3
331.59036	0.3
477.13745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64163	0.5
51.85751	0.4
52.52396	0.5
55.98762	0.5
56.96555	0.7
62.76711	0.5
70.14163	1.3
72.08154	0.6
76.04954	0.6
84.04494	0.9
85.02922	0.6
86.09711	1.5
87.69199	0.6
89.51973	0.6
97.04025	0.7
132.10190	0.6
134.06036	2.8
135.06366	1.3
142.80238	0.5
152.07045	4.8
153.07452	3.6
163.03831	0.6
170.08133	2.7
171.08488	2.0
198.53415	0.6
198.61861	0.6
211.07175	0.7
255.54016	0.6
261.07681	0.6
276.07443	0.8
292.11292	0.6
315.10678	8.0
347.09421	1.5
459.04205	0.5
477.15811	100.0
478.16119	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	477.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.5
57.03434	6.4
59.77993	2.7
60.04514	3.1
60.94924	3.3
61.02919	3.1
69.03442	17.4
70.06587	11.7
71.05005	7.4
71.55200	3.6
73.02918	7.1
75.68313	3.0
78.56425	2.7
79.05472	3.5
80.47141	3.5
81.03423	20.1
83.04991	3.1
84.04483	3.2
84.08145	6.3
85.02918	95.5
85.03431	4.9
86.09715	15.5
91.05486	3.8
97.02904	39.7
98.97585	3.4
99.04464	57.6
103.03954	97.8
103.05444	3.7
103.86910	2.9
107.04964	10.0
109.02905	37.1
111.04456	5.8
121.06526	4.3
127.03931	100.0
131.04970	3.6
139.03928	9.9
145.03065	3.9
145.04977	86.8
147.04408	10.7
149.06009	5.3
163.03897	10.4
163.06055	18.9
169.05023	8.4
171.06526	10.3
173.05920	4.7
174.03107	3.2
177.05484	7.3
181.04901	7.7
183.06541	4.1
187.06000	7.2
195.06570	9.0
203.34308	2.8
205.04980	7.1
205.06984	4.4
207.06505	5.8
213.07584	12.3
215.83372	3.3
224.17889	3.1
229.05074	4.4
233.08173	6.2
237.07518	23.1
247.08243	14.0
261.07529	24.2
271.08252	6.6
272.06830	5.7
279.08600	28.2
300.06277	15.7
315.08698	48.5
450.03726	3.2
477.19415	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	477.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
53.36399	2.7
54.57223	2.8
55.01880	14.5
55.05273	4.7
55.05518	65.9
55.27271	2.9
57.03432	10.6
59.05002	2.7
59.98945	2.6
62.51418	2.5
64.32471	2.9
65.03947	3.9
67.05178	4.3
67.05511	51.7
69.03416	9.4
69.07078	19.1
69.27262	14.2
69.27690	8.9
71.04990	6.3
79.05508	64.9
81.03432	29.3
81.07069	52.2
83.04987	11.3
83.08629	32.8
87.04432	2.6
91.05486	42.5
93.07059	31.1
95.04974	21.9
95.08617	21.9
97.06547	6.7
97.10180	50.7
103.05480	4.4
105.04517	3.9
105.07043	30.0
107.04964	39.5
107.08595	32.6
107.99288	2.8
109.06506	10.2
109.10159	12.1
111.08064	7.9
113.05984	5.1
115.05470	3.9
117.07016	17.5
119.08631	17.1
121.06534	29.9
121.10158	10.5
123.04443	3.3
123.08063	8.6
125.09644	42.5
129.07008	9.1
131.04927	5.5
131.08592	20.1
133.06490	12.8
133.10121	9.2
135.08038	12.4
135.11711	5.5
141.06958	5.9
143.08554	10.8
145.06490	23.5
145.10115	10.3
147.04417	5.7
147.08075	8.5
147.11650	10.6
149.05943	2.7
149.09598	7.7
153.09088	10.4
155.08621	6.6
157.06422	3.0
157.10146	10.3
159.08040	7.0
159.11722	4.9
161.06029	6.6
161.09610	2.6
163.11243	5.2
164.11186	2.7
164.29512	2.9
167.08560	6.2
169.06360	2.8
169.10080	4.9
171.08092	5.7
171.10262	3.7
171.11726	8.4
173.09659	5.2
175.11224	11.6
177.12682	3.5
179.44093	2.7
181.10106	4.2
183.11728	3.3
185.09686	4.4
187.11221	4.2
187.14792	4.8
189.09691	3.9
189.11227	21.7
189.12720	6.7
193.12291	20.3
195.11732	5.8
197.09679	3.7
197.13264	3.4
199.11215	9.2
201.12686	3.0
205.12262	5.1
209.13341	3.9
211.13196	3.9
213.12744	3.9
215.14351	9.6
217.12099	3.0
223.11224	4.7
223.13237	4.8
227.12683	7.7
227.14667	3.3
233.15332	18.1
235.13354	3.4
237.12874	4.3
241.14389	5.7
245.15564	3.0
249.14862	2.9
255.13828	5.9
259.13165	2.8
267.15958	12.3
271.17056	3.2
273.14902	17.4
275.16489	4.7
283.70627	2.6
287.16318	2.9
291.15836	6.6
300.06345	7.2
315.08606	17.2
321.22086	5.0
339.23074	9.7
349.21646	18.8
357.24161	10.9
367.22723	51.1
375.25247	3.4
385.23770	100.0
386.24237	3.3
403.24847	30.0
433.25851	5.7
441.26205	10.0
459.27423	78.4
477.28430	45.4
478.28989	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95791	2.6
53.03949	14.9
55.01868	12.6
55.05515	77.5
57.03438	17.6
65.03928	4.8
67.05180	4.9
67.05513	79.4
69.03427	9.5
69.07064	24.1
69.44466	22.3
71.05021	4.2
79.05500	90.8
79.05961	4.5
81.03426	100.0
81.07065	70.9
83.04995	23.6
83.08221	3.5
83.08637	49.8
85.02910	17.7
91.05490	89.6
93.07058	43.2
95.04974	45.6
95.08607	28.4
97.06512	11.5
97.10185	51.3
104.18383	2.7
105.04486	4.4
105.07039	50.3
107.04967	46.1
107.08604	43.2
109.06570	15.3
109.10166	16.0
111.04417	3.9
111.08083	10.9
115.05514	3.9
116.06241	3.5
117.07023	21.5
119.04932	2.9
119.08596	40.3
121.06502	32.2
121.10190	14.7
123.04414	3.7
123.08054	11.3
123.11715	3.3
125.09641	35.4
128.06210	6.3
129.07016	26.3
131.04929	6.3
131.08582	31.1
133.06543	18.2
133.10150	22.9
135.08109	17.1
135.11732	4.4
141.06927	7.3
143.08563	8.9
145.06503	21.4
145.10138	12.2
147.04425	6.8
147.08060	14.4
147.11690	20.4
149.09615	8.0
153.09048	4.3
153.12737	2.7
155.08557	6.5
157.06528	6.1
157.10130	24.8
159.08064	6.4
159.11693	6.4
159.84352	2.7
161.09592	4.0
163.11169	7.1
165.12694	5.4
169.10089	5.4
171.08064	5.6
171.11696	8.9
175.11171	16.1
181.10030	3.0
183.08110	3.9
185.09627	5.8
185.13167	3.3
187.11230	5.1
187.14828	3.5
189.11241	17.7
189.12764	6.8
193.12247	67.4
195.11758	4.7
199.11147	6.9
201.12703	2.9
203.14301	3.9
205.12175	3.5
211.11308	5.4
211.13268	29.6
215.14354	7.4
217.12192	5.9
223.13304	5.6
225.12759	3.0
227.12744	13.1
231.13869	6.1
233.15355	17.2
241.14282	7.2
245.15419	6.1
249.14740	5.2
255.13803	3.9
267.15967	25.3
273.14841	19.4
273.17410	2.9
291.15753	4.3
300.06137	4.6
315.08615	10.7
339.23010	10.2
341.20978	4.6
345.25262	3.2
349.21609	21.6
357.24130	13.5
367.22668	59.9
385.23740	93.2
403.24725	27.1
433.25729	8.7
441.26498	7.5
459.27509	95.4
477.22235	5.1
477.28558	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.4
55.01879	20.6
55.05262	5.0
55.05517	75.2
57.03434	13.7
61.91815	3.3
67.05514	56.8
69.03421	9.1
69.07075	17.4
71.04978	6.5
71.06573	7.4
71.15100	3.2
79.05498	81.2
81.03426	48.9
81.07067	52.1
83.04968	8.4
83.08635	37.7
85.02882	5.0
85.06565	5.4
91.05486	45.7
93.07057	43.0
95.04973	44.2
95.08622	31.8
97.06523	8.9
97.10174	45.2
105.04563	3.6
105.07032	34.1
107.04970	38.6
107.08612	32.1
109.06541	12.1
109.10168	17.7
111.08097	8.5
115.05444	6.6
117.07018	18.3
119.04909	4.6
119.08584	28.5
121.06522	40.5
121.10159	10.8
123.04456	4.3
123.08080	9.5
125.06039	4.3
125.09629	36.7
128.06198	4.9
129.06979	17.5
131.04942	4.4
131.07724	3.3
131.08592	21.3
133.06493	15.2
133.10141	11.7
135.04364	3.9
135.08072	14.4
135.11679	7.1
141.07045	7.8
143.08588	11.9
145.06473	25.7
145.10141	12.9
147.08063	9.2
147.11641	10.2
149.09657	10.5
153.09102	13.4
155.08594	4.1
156.48079	3.3
157.06512	7.5
157.10109	11.7
159.08105	7.6
159.11661	5.3
161.09651	8.9
163.11174	5.0
165.12801	3.8
167.08481	4.7
169.10184	8.4
171.08080	8.0
171.10217	5.7
171.11667	8.7
173.09631	4.1
175.11246	9.9
181.10112	4.0
183.08131	4.4
187.11223	5.4
187.14923	3.9
189.11258	18.7
189.12694	4.1
193.12276	24.7
195.11827	3.9
197.13290	4.4
199.11244	5.5
205.12199	6.8
207.11485	3.5
209.13278	4.4
211.11217	5.2
211.13313	7.5
213.12840	5.3
215.14357	6.5
223.13257	5.2
225.12781	5.1
227.12708	19.7
231.13860	4.6
233.15297	16.1
241.14339	3.6
245.15355	8.2
247.13103	4.6
249.14970	7.9
255.13971	3.7
257.15399	4.5
262.53165	3.3
267.15991	24.9
273.14920	18.1
287.16541	4.9
339.23184	13.8
341.21213	8.6
349.21652	17.5
357.24286	15.1
367.22748	59.8
375.25174	3.8
381.26031	4.0
385.23792	96.9
403.24863	34.3
415.24689	3.7
433.25800	13.7
441.26382	7.7
459.27505	100.0
459.33820	6.6
477.28519	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	10.8
57.07080	29.6
67.05509	7.4
69.07076	22.0
69.44169	10.6
71.08636	20.8
73.38187	1.4
79.05512	6.9
80.39095	1.5
81.06594	1.8
81.07055	17.7
83.08620	14.6
85.10196	11.7
91.05483	4.2
93.07049	9.1
95.04945	2.3
95.08611	16.9
97.06551	2.5
97.10178	8.4
98.20720	2.3
99.04458	4.2
105.07026	6.6
106.06249	1.4
107.08573	6.3
109.06535	9.6
109.10135	6.6
110.73809	1.3
111.08094	1.9
111.11747	4.6
119.08572	4.8
121.06493	1.7
121.10146	3.4
123.08073	9.6
123.11740	3.9
125.06004	14.1
125.09612	2.3
127.07561	34.2
131.08530	2.4
133.10109	3.3
135.08072	3.7
135.11757	2.1
137.05978	3.2
137.09627	3.3
139.07549	100.0
145.10153	1.6
147.11723	2.7
149.06004	2.6
149.09689	2.3
149.13277	1.7
150.99397	1.5
151.07588	7.3
153.09062	2.5
159.11610	1.7
161.13258	2.3
161.85678	1.3
163.07581	1.5
163.11151	1.6
165.09135	1.5
167.07047	5.2
175.14819	1.9
177.09111	13.5
203.10707	1.2
221.15395	1.7
250.15950	1.3
301.28891	2.6
315.08734	2.0
319.29846	9.6
347.33093	14.4
373.31039	4.1
399.36304	3.4
403.35846	1.5
417.37280	13.5
427.35602	2.6
445.36743	25.9
459.38431	1.7
477.39429	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	478.2936
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.61980	0.6
55.05524	4.9
56.96566	1.3
57.07058	1.3
61.02929	0.7
62.06079	2.0
63.86423	0.7
66.18172	0.6
67.05512	9.8
69.07072	6.7
69.36370	1.8
69.36783	3.4
73.02898	0.6
76.25103	0.7
79.05502	2.9
81.07070	7.7
83.08623	2.7
84.33581	0.7
85.05292	1.4
86.09723	1.5
91.05474	1.2
93.07041	2.4
95.08621	4.9
97.02927	0.7
97.10158	1.2
98.05494	1.0
98.06068	9.8
98.21446	1.3
98.98465	1.9
105.07046	0.8
107.08603	1.7
109.10165	1.4
112.07619	1.2
117.07012	0.8
119.08607	1.0
121.10161	0.9
131.08589	0.7
140.10831	0.7
154.12315	0.8
158.68254	0.6
181.36368	0.6
185.80547	0.6
196.16957	0.9
201.25923	0.7
208.16910	0.8
306.27939	100.0
307.28159	2.2
317.18094	1.5
337.27454	4.1
349.15823	1.1
349.66339	0.8
478.19943	0.8
478.33292	1.9
484.99597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.50332	0.6
53.03943	0.8
55.05517	10.2
57.03445	4.9
57.07070	2.1
62.06091	32.7
65.03938	1.0
67.05508	28.2
69.07071	14.6
70.84801	1.5
71.04987	0.7
77.49261	0.6
79.05493	9.5
81.07058	28.9
83.04977	1.0
83.08629	6.9
85.06519	0.7
85.88329	0.5
91.05488	5.3
93.07053	9.9
95.08610	20.7
97.06528	1.4
97.10183	3.4
98.06046	1.9
98.98463	9.6
105.07027	4.4
107.08588	5.4
109.10163	6.9
119.08596	3.8
121.10148	4.8
123.11731	3.3
124.01619	2.0
125.09626	0.8
131.08571	0.9
133.10132	2.5
134.28996	0.5
135.11678	2.3
137.13303	1.2
142.02643	1.6
147.11696	1.7
149.13229	1.4
151.14847	0.9
155.01067	5.8
161.13249	1.4
163.14809	0.8
173.02094	1.8
175.14815	1.0
177.16489	0.7
198.05273	2.0
216.06329	4.4
245.22684	2.7
263.23773	5.2
306.27911	19.3
319.26181	1.4
337.27380	100.0
338.27802	2.9
348.23920	0.6
460.28107	3.5
478.29480	1.6
491.61566	0.7
497.44315	0.6
498.61313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2933
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03944	0.8
55.01863	0.5
55.05519	11.1
57.03443	7.0
57.07084	2.1
59.41446	0.3
62.06087	0.6
65.03941	0.8
67.05509	27.2
69.07072	15.7
69.07458	0.5
70.58216	1.2
71.04988	0.7
71.08646	0.6
79.05061	0.6
79.05499	7.6
81.07062	23.6
82.07368	0.4
83.04985	0.6
83.08624	7.4
85.06539	0.7
85.10166	0.4
89.13509	0.3
91.05483	5.1
93.07051	6.3
95.08614	19.4
95.25906	0.3
95.54810	0.3
97.06532	1.8
97.10183	3.2
98.06079	0.4
98.98460	0.4
99.08082	0.8
101.46214	0.4
105.07035	3.3
107.08598	3.9
109.10167	6.9
111.08086	0.6
111.11735	0.6
118.77987	0.3
119.08586	3.0
119.50914	0.4
121.10137	2.7
123.11727	3.3
124.01568	0.6
125.09591	0.6
129.74782	0.3
133.10138	3.3
135.11688	1.3
137.13229	1.1
147.11670	1.6
149.13268	0.8
151.14844	0.7
153.12759	0.4
155.84955	0.3
161.13242	0.8
163.14911	0.4
175.14897	0.5
177.16466	0.3
189.16380	0.4
198.05188	0.5
209.60506	0.3
216.06354	0.7
222.39120	0.3
245.22859	0.5
263.23721	1.0
299.66360	0.4
306.27878	1.7
337.27383	100.0
338.27682	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04118	3.7
64.74510	4.0
69.48867	4.3
69.70911	12.8
69.71310	10.6
94.93048	7.7
112.89636	12.3
114.89354	11.6
136.93030	8.2
136.94029	95.7
143.01874	5.5
146.67796	4.5
148.94046	29.8
154.94160	12.3
160.42398	4.1
166.95091	41.5
172.95302	7.5
182.32933	3.9
193.29199	4.1
196.96210	8.1
197.39287	4.3
214.89503	12.0
214.96379	10.9
214.99872	10.1
245.05115	6.3
248.89743	8.4
256.90570	12.0
256.98358	26.2
316.99307	7.4
363.00363	19.0
381.07996	100.0
419.03543	71.0
478.92773	20.5
479.15073	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0975
Annotation	Desalanylbenanomicinone
Peak:m/z	Relative Intensity
55.94288	0.2
67.01848	0.5
67.05482	0.3
69.03422	0.4
70.78954	0.6
76.64686	0.2
79.05479	0.5
81.03393	0.4
81.07065	0.3
85.02885	0.5
89.03908	0.4
91.05428	0.3
95.04945	0.3
95.93965	0.2
97.02914	0.3
98.03228	0.3
115.05480	0.3
119.04885	0.4
122.99387	0.2
123.04465	0.4
127.03914	0.6
133.02841	0.5
134.03587	0.5
135.04385	0.9
136.05219	3.1
137.05933	0.8
145.02768	0.3
147.04436	0.4
149.09721	0.2
150.03081	1.0
150.06775	0.6
153.01840	5.4
162.03041	0.5
164.04649	0.4
179.84705	0.3
203.03398	7.1
213.05493	1.0
225.05576	0.4
229.04982	5.6
237.05531	0.2
241.04962	2.2
242.05740	11.5
243.06032	0.3
253.05045	0.6
257.04459	56.5
258.05194	6.3
269.04465	2.0
270.05206	3.8
271.05997	3.3
285.03979	5.3
286.04724	12.4
287.02170	0.5
287.05487	13.4
297.03967	17.6
298.04361	0.5
305.08099	0.5
308.06842	0.7
309.07590	0.3
310.04828	0.3
333.07608	0.6
334.08307	0.8
344.06873	0.4
345.07581	1.9
361.06931	2.6
362.07907	0.8
369.70358	0.3
373.07068	5.0
374.07837	0.8
375.08655	0.6
389.06546	3.9
390.07257	0.7
391.08093	2.5
392.09006	0.3
394.85706	0.3
401.06519	0.7
403.08261	1.3
417.06033	0.4
418.06848	2.8
419.07571	1.1
419.57458	0.3
420.08411	0.9
433.09192	0.9
435.10745	15.3
436.11273	0.7
446.06299	6.9
451.10254	0.4
461.08701	8.6
479.09760	100.0
480.10141	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	479.0978
Annotation	Desalanylbenanomicinone
Peak:m/z	Relative Intensity
55.05511	0.8
56.05820	0.3
56.96547	0.3
67.01855	0.6
67.05502	0.5
68.99803	0.4
69.22307	0.3
69.40528	2.1
79.05466	0.8
79.32859	0.4
81.03413	0.8
81.07056	0.7
89.03912	0.4
90.06257	0.3
91.05508	0.7
92.42107	0.3
93.07013	0.7
95.04984	0.7
95.08617	0.3
97.06522	0.4
97.10174	0.4
98.20757	0.7
100.06580	0.3
105.03432	0.3
105.04497	0.3
107.04928	0.4
107.08611	0.4
117.03384	0.5
119.04933	0.3
121.02837	0.6
121.06522	0.5
123.04462	0.5
133.02837	0.4
133.10182	0.3
134.03658	0.6
135.04410	0.8
136.05191	3.1
137.05988	1.5
139.16261	0.4
145.06499	0.4
149.02313	0.4
150.03125	0.7
150.06798	0.5
153.01834	6.9
161.02284	0.4
162.03145	0.8
163.03954	0.4
164.04646	0.4
166.69215	0.3
177.05467	0.4
198.03052	0.3
203.03409	4.0
213.05501	1.1
229.04956	3.8
241.04871	1.8
242.05730	14.0
253.05016	0.9
254.05695	0.6
257.04462	33.5
258.05237	6.8
269.04514	2.7
270.05234	4.3
271.05997	5.9
285.03970	3.8
286.01468	0.5
286.04718	13.2
287.05496	11.6
297.03952	15.0
305.08148	0.9
306.08911	0.4
308.06763	1.1
309.07446	0.6
310.04840	0.4
311.05551	0.9
315.05017	0.6
333.07553	0.8
334.08386	1.2
337.03439	0.4
344.06857	0.9
345.07526	2.0
361.07071	3.2
362.07773	0.9
363.08496	0.7
373.07101	6.5
374.07883	0.7
375.08707	1.2
377.06641	0.4
389.06567	4.5
390.07260	1.4
391.08084	3.0
392.08914	0.4
401.06549	1.1
403.08102	1.3
417.06165	1.0
418.06842	4.4
419.07690	2.8
420.08505	1.2
433.09521	0.7
435.05542	0.3
435.10550	9.1
446.06375	8.8
447.06564	0.4
461.08698	9.6
479.09760	100.0
480.10095	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	479.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
58.70982	0.3
66.95281	0.3
67.01860	0.4
67.05498	0.4
69.28469	2.9
73.09141	0.3
79.05454	0.5
79.25276	0.3
81.07027	0.4
87.72516	0.2
91.05470	0.7
95.04977	0.3
95.08591	0.3
98.20773	0.5
105.07043	0.5
117.06915	0.3
123.04387	0.7
125.09581	0.4
134.03596	1.0
135.04361	0.5
136.05205	3.0
137.05971	0.7
137.67686	0.3
145.06468	0.4
150.03096	0.5
152.73602	0.3
153.01842	6.0
163.03922	0.5
164.04803	0.3
169.06543	0.3
171.02730	0.4
179.03401	0.4
180.04175	0.5
202.93712	0.3
203.03416	5.0
213.05418	1.0
228.27635	0.3
229.04961	4.4
241.04919	1.6
242.05769	8.9
253.04918	0.6
255.06552	0.4
257.04477	47.1
258.05243	9.5
262.10825	0.3
269.04480	2.8
270.05243	2.4
271.05927	0.7
285.03931	3.3
286.04752	13.5
287.05524	13.9
297.03976	9.5
305.07950	0.5
308.07019	0.4
310.04697	0.5
321.07996	0.3
329.08051	0.4
333.07672	0.5
334.08374	1.2
335.09326	0.4
345.07571	1.7
361.07001	1.9
362.07556	0.8
363.08740	1.1
373.07108	2.3
374.07767	1.0
375.08722	1.3
377.06671	0.6
387.24509	0.5
389.06699	1.9
390.07321	1.6
391.08206	4.2
392.08585	0.5
401.06750	1.2
403.07959	1.4
417.06061	0.6
418.06824	1.8
419.07730	4.3
420.08469	0.4
433.09131	1.6
435.09891	1.9
446.06497	3.1
461.08615	2.7
461.27844	0.3
479.09784	100.0
480.10040	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	479.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04193	0.6
55.01860	1.3
55.05517	3.0
67.05515	2.5
68.05844	0.7
69.03436	0.8
69.07063	0.9
69.42149	3.8
69.48045	0.5
71.04970	0.7
79.05508	2.9
80.05833	0.9
81.03449	0.8
81.07055	2.5
82.07390	0.6
83.04983	1.3
83.08628	1.1
84.09004	0.5
85.02925	0.6
91.05487	2.6
93.07036	1.3
95.04971	1.2
95.08608	0.9
97.06532	1.1
97.10161	1.0
98.10513	0.7
98.20708	1.1
105.07037	1.3
107.04964	1.8
107.08584	1.7
108.05255	0.5
109.06568	0.7
117.07031	0.9
119.08591	0.9
120.08966	0.7
121.06535	0.6
121.10114	0.8
123.04420	0.8
124.01546	0.6
125.09652	1.3
129.07007	0.7
137.05989	0.7
145.06467	0.7
145.10080	0.7
146.06902	0.6
149.09708	0.7
150.06757	0.7
153.01848	12.2
159.11743	0.6
161.05957	0.6
167.03415	0.6
176.36516	0.5
177.07121	0.6
179.03432	0.6
189.11253	0.6
194.12595	0.6
203.03354	0.6
205.04953	1.5
205.44667	0.5
213.05519	0.6
228.04195	0.8
229.04971	0.8
235.84154	0.5
256.03662	1.9
256.07315	1.4
257.04514	1.8
258.05298	0.8
259.09702	0.7
266.05762	2.4
267.06412	0.9
268.07367	0.7
271.06039	7.3
272.06769	1.5
283.06100	1.2
283.09317	0.6
286.04758	1.8
298.04770	1.0
299.05450	2.0
300.06235	4.1
301.07062	1.1
309.07559	0.8
310.04755	1.0
310.08249	0.7
311.01880	1.4
311.05508	26.1
323.05527	0.6
324.06512	0.7
329.08191	0.7
334.08334	1.3
335.05527	1.6
338.07855	2.0
345.07816	0.7
361.07053	4.2
363.08759	2.6
367.23062	0.8
368.22879	1.5
369.23480	1.1
373.07227	1.2
374.07687	1.5
375.08713	1.8
379.11853	1.5
386.24109	2.3
387.24295	1.9
389.06326	3.3
389.10748	1.0
390.07321	12.7
391.07764	3.6
392.09225	0.7
401.06451	0.8
402.07416	0.8
403.08163	7.2
407.10858	0.9
407.15555	0.8
417.05878	1.0
418.06845	27.3
419.07632	34.7
420.08398	21.3
421.08612	1.3
433.09201	9.1
435.10648	100.0
436.10986	3.4
446.06369	6.4
460.27420	0.7
461.08539	22.2
461.28079	1.6
462.09113	1.1
479.09119	42.8
479.28561	1.2
480.09781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94922	2.6
53.03954	13.1
55.01871	6.4
55.05507	8.2
57.03445	7.3
58.00517	2.3
59.00699	2.7
61.02935	2.8
67.05513	9.4
68.99801	5.3
69.03440	50.3
69.07101	3.4
70.18884	2.5
71.05000	10.8
71.13963	6.2
76.26833	2.7
79.05507	7.6
81.03429	57.6
81.61761	2.8
83.01379	2.6
83.05012	9.5
85.02914	60.9
87.00834	18.6
91.05511	7.6
93.07048	4.9
95.05006	6.3
97.02876	13.7
97.06546	3.9
99.04469	21.6
103.03958	2.4
105.01871	5.9
105.07060	6.0
107.08640	4.9
109.02902	45.6
111.04483	5.8
112.20546	2.2
121.06560	3.7
121.10142	4.4
123.04422	6.6
127.03931	100.0
129.01912	4.6
137.05984	2.7
139.03880	2.6
147.04497	5.5
149.02457	3.6
149.09624	3.5
153.01845	12.5
169.05011	3.7
189.04037	6.8
193.12294	3.3
203.03445	6.4
213.04057	10.6
231.05072	8.6
242.05745	16.1
257.04492	49.5
257.07007	3.0
258.05286	9.0
270.05264	5.9
271.06070	6.0
285.04022	5.9
286.04681	15.8
287.05429	19.4
297.04019	19.7
361.07053	5.6
373.07098	6.3
375.09003	3.6
389.06680	4.0
418.06812	5.3
435.10007	15.5
446.06479	9.0
461.09091	20.3
479.09909	93.8
479.16968	9.8
479.26334	4.8
480.10162	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	479.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34791	1.1
55.01880	27.5
70.43424	3.1
74.46864	1.2
85.02908	3.4
91.05475	1.9
96.19329	1.2
96.93478	1.2
98.20877	1.5
98.97595	4.7
105.55680	1.2
110.97579	1.6
116.98611	1.5
119.04960	29.5
120.08059	1.4
128.98593	1.4
146.99715	1.9
147.04436	43.0
179.07060	100.0
180.07410	1.6
207.01906	1.2
214.95421	1.3
237.65872	1.4
316.98611	5.7
334.99670	3.2
479.04010	2.5
479.14944	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	479.1551
Annotation	Persicogenin 3'-glucoside
Peak:m/z	Relative Intensity
51.74440	0.9
55.01875	1.9
57.03441	7.2
65.03956	1.1
68.99787	2.5
69.03431	1.3
70.89764	1.2
71.08743	1.3
71.09055	1.4
79.05479	1.9
81.03428	4.8
85.02915	20.8
91.05492	1.7
93.82265	1.0
94.26460	0.9
95.04963	4.9
97.02921	5.4
99.04468	1.1
105.03387	1.3
107.01340	1.9
109.02877	4.3
111.00813	1.2
119.04976	2.6
121.02877	14.8
123.04434	5.1
125.02339	3.7
127.03870	1.2
133.06421	1.2
135.04416	2.2
137.02339	1.4
140.48894	1.0
141.01843	1.7
142.60657	1.1
147.04364	2.2
149.02338	2.2
150.06770	1.2
151.03909	2.9
151.07521	1.8
153.01843	17.7
163.03909	7.1
163.07523	3.0
165.01854	49.2
165.05508	2.6
165.09125	5.1
171.02917	2.7
175.03960	2.9
177.01862	10.8
179.03416	3.0
183.02924	13.1
187.03897	3.2
189.01791	4.9
191.03394	21.5
191.07039	15.1
195.02905	100.0
196.03177	1.5
203.03412	5.9
205.05008	5.1
207.02911	3.0
209.04482	1.7
213.04010	1.6
213.92659	1.0
215.03421	2.7
219.02898	36.7
231.02899	19.5
233.04456	2.8
243.02876	5.7
249.01587	1.4
249.03993	17.2
261.03964	21.9
279.05066	16.4
297.06067	16.5
317.10156	4.1
329.10223	26.6
341.10226	6.5
359.11179	10.3
383.11240	16.7
395.11279	8.5
407.11017	2.8
413.12109	3.1
425.12173	4.0
443.13293	5.2
461.14307	6.8
479.15430	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	479.1551
Annotation	7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside
Peak:m/z	Relative Intensity
55.01857	1.8
57.03438	7.2
65.03947	1.7
67.05496	1.7
68.99795	3.3
69.03391	1.5
70.66551	2.0
70.66885	2.0
79.05505	1.8
81.03419	4.1
85.02909	21.3
88.16634	0.9
91.05487	1.8
93.07045	1.3
95.04963	3.7
97.02888	2.9
107.04963	1.8
109.02892	4.2
111.04432	1.3
119.04944	2.6
121.02884	14.6
123.04462	5.3
125.02351	4.3
127.03931	1.4
127.44898	1.0
128.05087	1.0
131.04947	1.3
135.04449	2.3
141.01880	1.3
146.03722	1.3
147.04396	3.5
149.02394	3.0
151.03909	1.9
151.07565	2.3
153.01837	20.1
163.03958	8.0
163.07549	3.2
165.01842	46.3
165.05574	1.3
165.09151	3.3
171.02934	3.2
171.64912	1.0
177.01874	11.8
177.05432	1.6
179.03410	2.6
183.02921	13.1
187.03902	2.3
189.01866	4.1
191.03416	23.9
191.07022	14.4
193.01291	1.5
195.02905	100.0
203.03404	6.2
205.04987	4.2
207.02922	3.4
209.04382	2.3
213.04112	1.2
215.03392	2.7
219.00739	2.0
219.02892	39.3
221.04398	1.3
221.79234	1.0
229.05113	1.0
231.02896	18.2
233.04424	3.4
243.02921	5.0
249.03957	17.7
257.04471	21.6
261.03961	21.1
265.04868	2.3
279.05038	13.4
283.15210	2.0
285.04047	1.3
286.04581	1.7
287.05597	1.9
297.06207	16.4
311.05551	6.8
311.08722	1.7
317.10153	2.3
329.10248	19.9
332.02576	1.3
341.10291	8.0
359.11230	10.0
380.66544	1.0
383.11288	14.6
395.11322	7.3
407.11346	1.6
413.12296	3.9
425.12317	3.0
443.13403	4.4
461.14413	5.0
479.09741	25.5
479.15894	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	479.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05515	0.9
56.96557	2.4
57.03440	1.3
62.90350	0.7
63.79660	0.8
67.05496	3.1
69.03425	2.3
69.07062	1.4
70.06589	2.1
71.04992	0.8
71.55030	0.9
71.55453	0.7
74.49233	0.8
76.79518	0.8
79.05497	3.0
81.03429	2.7
81.07032	2.2
84.08126	1.0
85.02906	3.6
86.09715	1.0
91.05490	2.7
93.07035	2.5
95.04992	1.3
95.08600	2.7
97.02908	1.6
97.06553	4.2
98.97575	2.9
105.07050	1.4
107.04925	1.1
107.08607	2.6
109.02902	1.6
109.06555	1.0
111.04442	1.4
118.16023	0.8
119.08581	2.4
120.08103	0.8
121.02853	1.4
121.06528	0.8
121.10146	1.1
123.04466	1.3
125.09634	0.8
127.03954	1.6
131.00174	0.9
133.02866	1.4
133.10124	1.0
135.04414	1.8
135.11728	1.0
136.05174	2.6
137.05991	3.3
147.04370	0.9
150.06821	1.1
153.01846	9.8
163.03914	3.3
163.11230	1.2
165.01823	2.0
171.02940	1.1
173.02341	1.3
176.46539	0.8
177.01819	0.9
177.05475	1.4
183.02896	1.6
191.03346	1.0
195.02914	6.7
203.03424	3.9
209.15414	0.9
213.05496	1.9
215.07033	1.6
219.03088	1.7
229.04945	3.4
231.03062	0.9
231.13673	1.5
237.05547	0.9
238.06464	0.9
238.09770	0.9
241.05032	1.8
242.05746	10.7
253.12315	3.0
254.12758	4.2
257.04486	25.1
258.05194	5.7
259.09613	1.4
261.03876	1.4
265.04977	2.3
265.15289	4.6
269.04449	2.3
270.05154	3.0
271.06250	5.0
279.05099	1.4
281.04715	0.9
281.07813	1.4
282.12131	1.5
283.15619	1.9
285.03943	2.9
286.04739	10.6
287.05585	10.0
297.03918	10.6
300.06458	1.1
300.13168	2.4
305.08038	1.4
311.05646	5.5
311.08734	1.2
315.05176	2.0
315.08548	2.1
316.09073	1.1
317.06122	1.1
317.09402	2.6
329.10266	1.7
335.23212	1.7
345.07761	1.8
361.06924	2.3
373.07095	5.8
383.11230	1.4
389.06549	3.7
391.08133	2.6
393.19174	6.1
411.18378	1.1
417.18906	0.9
418.06873	4.3
419.07864	2.0
420.08484	1.2
433.08987	1.6
435.11102	11.2
435.20001	35.6
446.06339	7.2
461.08713	6.9
479.09708	81.0
479.18835	100.0
480.10144	3.2
480.19012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.7
57.06829	6.8
57.07082	94.4
67.05489	9.4
69.07076	42.7
71.08643	81.5
71.47445	7.5
79.05501	21.6
81.07068	45.2
83.04983	18.7
83.08644	28.3
85.10204	52.2
91.05538	6.3
93.07067	30.3
95.08622	30.4
97.06556	7.2
97.10167	12.9
99.11726	8.9
101.06036	44.2
107.08595	30.7
109.06516	14.6
109.10159	16.5
110.81860	5.2
111.11729	11.1
115.07573	10.0
121.10139	20.0
123.11675	6.6
125.06004	11.5
127.07570	100.0
129.05496	91.7
135.11714	19.7
137.13283	6.8
143.07001	9.0
149.13304	17.1
153.09166	7.8
153.12738	7.2
155.17892	8.0
163.14865	16.5
177.16460	9.9
195.17615	6.0
242.00235	6.6
289.28876	6.1
307.30042	13.7
335.29306	6.8
403.61234	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	480.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01865	2.0
56.41641	0.5
60.23763	0.5
61.02924	0.6
65.03950	2.7
67.05504	1.1
68.99805	0.5
69.22092	5.9
70.06568	0.7
71.02769	0.5
75.04473	3.6
78.04702	3.1
79.05489	1.6
81.03413	0.7
81.07064	0.6
84.04502	0.7
85.02906	2.9
86.09662	0.6
86.18063	0.6
89.03914	1.3
89.06023	1.6
91.05481	12.2
93.03410	10.5
93.07048	4.9
95.04980	3.6
97.02951	0.8
97.06508	2.6
103.05477	5.9
105.04485	0.9
105.07034	1.7
106.04176	24.0
107.04964	3.0
109.06541	0.7
117.03378	1.2
119.04926	1.8
121.06505	26.4
123.04440	0.8
123.08134	0.6
124.03962	1.2
125.05986	7.0
131.04927	2.2
134.03629	3.5
135.04417	1.0
137.05972	4.4
138.06726	0.7
139.07556	2.7
145.02846	2.6
147.04419	1.4
148.05193	2.2
149.05984	42.5
151.07510	2.2
152.08353	0.7
153.05440	0.8
153.09099	11.5
161.28235	0.5
163.03920	1.5
163.07512	1.6
165.05536	1.1
166.06253	1.2
167.03410	10.6
167.07036	5.1
168.03740	5.6
177.05466	23.5
178.05824	1.0
179.07019	0.6
181.07068	1.1
181.08598	19.2
182.09373	0.7
191.07043	1.7
195.06554	0.7
209.08089	100.0
210.08769	2.8
230.05280	1.3
242.13414	0.5
258.04877	1.7
259.04999	0.8
272.06937	0.9
273.07104	3.8
274.07458	3.3
275.07532	2.7
290.07401	0.7
291.24338	0.6
300.06186	4.6
301.06610	10.3
302.06815	10.2
303.07129	11.8
303.79489	0.6
315.08685	9.5
316.05212	0.7
316.08978	26.0
317.09216	23.4
318.09540	34.4
319.10031	1.0
401.16217	0.7
480.15439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.8
55.01870	9.1
55.05266	1.5
55.05505	8.7
55.68184	1.3
57.03444	10.1
61.02923	6.0
67.05508	12.0
68.05878	1.5
68.99789	2.4
69.03075	2.9
69.03437	39.8
69.07080	8.8
71.05004	8.1
71.06809	2.8
73.02922	8.2
79.05498	9.1
81.02982	2.1
81.03431	33.2
81.07069	31.2
83.04984	5.0
83.08639	8.6
85.02914	93.1
85.06549	5.6
87.00305	2.2
87.00840	41.3
91.03941	2.1
91.05480	9.3
93.07066	11.4
95.04978	1.6
95.08618	40.3
97.02902	29.4
97.06541	10.6
97.10191	4.4
99.04472	16.7
99.08109	5.8
105.01880	33.5
105.07043	12.7
107.08607	7.5
108.04481	2.5
109.02893	35.7
109.06535	3.5
109.10170	3.7
111.08075	2.8
113.09628	2.4
115.03953	1.7
115.07594	2.9
117.01848	4.6
117.07013	1.9
119.08603	18.3
121.10156	8.4
122.17412	1.3
123.08067	3.4
127.03934	62.2
129.01855	2.7
129.06963	1.3
131.08537	2.3
133.10130	13.7
135.11707	9.8
137.13255	9.1
141.04796	1.3
141.09158	1.7
145.04974	21.8
147.02892	2.4
151.07547	5.3
151.14886	1.6
159.02911	15.6
161.05919	1.4
161.13275	69.1
173.11856	1.5
175.89456	1.4
179.14333	100.0
185.15434	1.7
189.03915	1.9
197.15395	51.8
209.15353	1.6
213.03952	5.5
215.16484	8.7
225.14868	1.8
231.05063	14.6
249.06059	1.6
287.16275	3.8
294.54489	1.5
305.17465	10.5
312.33704	1.3
323.18600	4.5
365.19656	4.0
374.48254	1.4
391.17392	3.0
400.90491	1.4
409.18716	11.1
437.21893	1.5
442.19281	1.4
481.20538	8.1
493.28229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53545	1.2
53.03970	1.4
54.48489	1.0
55.05521	3.8
57.03434	2.9
67.05514	7.9
67.78330	1.3
69.07073	3.0
70.06595	2.3
71.05030	1.3
71.29089	2.1
79.05505	10.0
81.03409	5.1
81.07075	8.7
83.04996	2.2
83.08627	5.8
84.08155	1.5
85.02912	4.2
86.09700	1.3
87.87500	1.1
91.05495	4.4
93.07056	16.7
95.04975	5.7
95.08616	16.3
97.02901	2.4
97.06553	2.8
99.04436	2.8
105.07063	3.5
107.04983	4.3
107.08604	11.6
109.10175	1.5
117.07018	4.3
119.08591	4.2
121.06513	2.0
121.10168	6.9
123.08111	1.3
135.08055	2.1
135.11708	26.5
145.10135	12.2
152.35429	1.2
163.11208	37.7
181.12317	6.8
193.12306	1.4
227.12813	42.6
283.15430	100.0
284.15921	1.6
377.09344	1.3
445.20676	1.4
480.10110	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	480.309
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05516	13.2
56.96563	2.6
57.03424	5.6
57.07068	4.7
62.06094	24.9
67.05511	10.4
69.07073	15.6
71.08630	2.6
71.56080	2.2
72.18671	1.4
75.61572	1.3
76.22867	1.4
79.05495	5.1
81.07065	12.7
83.08630	11.8
93.07063	5.6
95.08618	13.6
97.10178	5.9
98.98463	7.3
107.08580	4.3
109.10168	5.7
111.11724	3.0
121.10146	3.7
123.11735	1.4
133.34145	1.3
135.11714	4.3
155.01062	8.1
198.05342	2.2
216.06386	3.8
265.25220	3.0
308.29535	11.6
337.08862	1.3
339.28970	100.0
340.29239	2.8
355.17465	1.5
419.25443	1.7
462.29941	2.4
481.15088	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	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05048	0.2
55.05517	1.7
56.05034	1.6
57.03442	0.7
57.07079	0.5
58.06593	1.6
59.07390	0.5
60.08168	17.5
67.05518	2.0
69.07076	1.6
70.59866	0.7
71.04987	0.2
71.07380	6.9
79.04794	0.2
79.05508	1.1
81.07062	1.6
83.04990	0.3
83.08629	1.1
86.09712	50.9
91.05464	0.3
93.07059	1.4
95.08620	1.2
97.06543	1.3
97.10182	0.4
98.98473	4.6
104.10752	100.0
105.11089	0.3
107.08636	1.1
109.10163	0.4
121.10155	1.0
123.11749	0.4
125.00014	28.5
129.05519	0.7
135.11722	0.6
163.01581	0.3
181.02605	0.7
184.07353	97.0
185.07785	0.3
205.19495	0.3
240.99036	0.2
258.11044	1.0
297.24292	0.8
316.11957	0.2
458.01974	0.2
462.29822	7.6
480.30920	22.3
481.31305	0.4
506.77780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13731	0.4
55.01874	0.9
55.05509	1.8
57.03437	1.2
67.05501	1.5
69.03436	1.2
69.07067	0.6
69.47536	3.5
70.06602	4.4
71.67166	0.5
71.86717	0.5
72.08161	1.4
73.02936	0.6
79.05502	1.4
81.03422	3.1
81.07055	0.9
81.64336	0.5
83.04980	0.7
83.08635	1.0
84.04516	0.9
84.08143	0.6
85.02902	2.6
86.09716	1.2
91.05496	2.0
93.07028	1.4
95.04964	0.9
95.08611	1.5
97.02889	1.5
98.97530	0.6
99.04414	0.8
103.05481	0.6
105.07069	0.9
107.08552	1.5
109.02904	1.5
109.06512	0.5
119.04998	1.0
119.08597	1.5
120.08129	2.8
121.02888	0.9
121.10141	0.7
127.03908	1.2
129.10289	0.5
131.08572	0.8
133.10197	1.8
135.11656	0.6
136.07597	2.4
137.05997	4.4
145.10118	1.0
157.10065	0.7
161.02997	0.5
161.05910	0.5
163.03941	0.8
165.07005	0.7
175.03741	2.0
175.14850	0.6
181.12248	0.6
183.08031	0.6
185.04231	1.8
185.05785	0.5
201.05466	1.6
202.72644	0.5
202.81883	0.6
219.08939	0.5
239.07124	0.7
257.08075	4.0
267.08511	1.7
274.50974	0.5
284.15881	1.2
285.17035	1.3
289.05392	4.0
293.18216	0.5
300.11334	0.5
329.08432	8.5
337.09003	2.2
379.10272	0.7
419.13193	4.8
421.11215	4.0
451.18741	0.6
463.12393	0.8
477.57431	0.5
481.13251	100.0
482.13547	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	481.2049
Annotation	Briarlide H
Peak:m/z	Relative Intensity
67.05499	1.0
69.07050	0.9
69.54108	4.4
70.06609	0.9
79.05483	0.8
81.07050	1.7
83.08591	0.6
86.09688	0.7
91.05476	1.7
91.73765	0.9
93.07054	1.4
95.08621	1.9
105.07043	2.7
107.08588	2.5
109.10143	1.2
117.10872	0.6
119.08591	6.3
121.10174	0.9
128.31831	0.6
131.08604	0.9
133.10120	6.7
135.11719	1.5
137.05977	0.8
145.10091	0.8
147.11662	1.5
163.03914	0.8
164.92958	0.8
167.07086	0.8
175.14836	4.9
203.05365	1.0
227.05231	1.0
245.06363	3.8
271.04282	1.8
284.15805	1.1
287.03818	1.8
289.05325	78.6
395.20428	1.8
419.20410	2.8
437.21515	14.8
463.19458	23.9
481.20517	100.0
482.20944	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	481.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05505	2.4
56.96554	1.2
58.27576	0.8
67.05495	1.9
69.03452	1.4
69.07066	2.8
70.06604	1.9
71.06015	1.4
72.08153	1.6
79.05498	1.6
81.03423	0.9
81.07071	2.9
83.04989	1.2
84.08173	1.1
85.02907	0.9
86.09739	0.9
91.05482	2.1
93.07049	3.0
95.08615	3.4
97.06538	1.5
98.97573	1.4
105.07049	2.7
107.08619	2.4
109.10175	1.8
116.98639	0.8
119.01884	1.1
119.08573	6.8
120.08111	1.6
121.10165	2.2
126.38807	0.8
127.00079	0.9
133.10168	4.5
133.96828	0.8
135.11649	2.4
136.12086	1.6
137.06035	1.5
145.10139	1.8
153.01950	1.2
163.11169	1.3
164.11537	1.7
174.30025	0.8
175.14865	6.8
184.05798	2.1
193.05095	0.9
200.71594	0.8
203.05409	1.0
216.11310	0.8
227.12813	2.6
228.13176	2.7
245.06343	7.4
251.13666	1.4
253.11804	1.2
271.04266	1.2
283.15417	2.3
284.15671	5.6
286.04752	2.0
287.03787	2.4
289.05325	100.0
290.05734	1.4
297.14243	3.3
319.02817	5.2
368.17920	4.8
419.20514	7.2
437.21329	3.8
463.19440	51.9
464.19684	2.1
481.20227	34.7
481.26440	13.5
489.20233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.05524	1.8
57.03453	0.9
67.05505	5.5
69.03433	2.3
69.07068	2.5
69.37087	4.8
70.06585	0.8
71.04971	0.8
79.05497	2.7
80.76048	0.7
81.03435	3.5
81.07056	3.6
83.08611	1.1
85.02917	1.2
91.05484	3.3
93.07063	3.9
95.04984	2.4
95.08616	3.0
97.02948	0.9
97.06545	4.0
97.10170	1.3
98.85167	0.7
105.07050	4.0
107.04954	0.9
107.08601	3.0
109.02895	1.2
109.06503	1.0
109.10175	3.0
111.08108	1.2
117.07022	1.0
119.01959	1.1
119.08571	3.5
121.10141	1.4
127.03921	1.5
131.08577	1.4
133.10188	3.5
135.11678	1.5
136.05206	0.8
137.05994	1.1
139.11099	0.8
143.01918	1.7
145.10132	0.9
147.11731	1.0
149.02295	0.7
151.11186	1.5
153.01834	3.7
154.02231	1.0
157.10101	1.2
159.08054	1.0
159.11731	1.1
163.03877	1.1
175.11327	1.0
175.14818	2.2
187.14850	0.7
193.12164	1.1
203.03622	0.9
203.05350	1.2
204.03604	0.9
211.13184	1.3
227.05240	0.9
233.15144	3.3
242.05722	2.9
243.06050	2.6
244.06300	2.6
245.06322	3.2
257.04501	6.5
258.04852	5.9
259.05078	5.5
259.09570	0.9
260.05698	1.4
270.05060	1.1
271.04242	1.6
272.06033	1.4
273.06583	1.1
275.15051	0.7
283.16019	0.8
285.03955	1.5
286.04611	3.2
287.05362	3.8
288.05621	4.6
289.05353	20.5
297.03952	3.1
298.04263	2.0
299.04419	3.8
319.22510	1.0
363.07639	1.4
366.06036	1.0
373.07104	0.9
375.07684	2.1
391.07205	2.6
395.20306	2.2
419.20584	2.4
420.07364	2.0
435.10001	1.6
437.11557	5.5
437.21509	17.9
448.06921	4.9
463.09201	4.4
463.19177	5.8
463.26248	0.9
481.10226	50.4
481.20444	100.0
482.10303	1.8
482.21057	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	481.2051
Annotation	Briarlide H
Peak:m/z	Relative Intensity
51.60761	0.5
55.05502	0.9
67.05505	1.7
69.03435	1.1
69.07067	1.2
71.55838	0.6
71.56195	0.5
72.06717	0.6
79.05484	1.4
81.03409	0.6
81.07043	1.2
83.08609	0.5
83.55206	0.6
86.09699	1.4
91.05483	1.9
93.07040	1.7
95.05010	0.7
95.08585	1.2
97.06541	0.7
105.07034	2.0
107.08595	2.1
109.06475	0.6
109.10160	1.2
110.25996	0.5
117.07021	0.5
119.08579	2.0
120.08147	0.7
121.10170	0.9
133.10152	1.8
135.11769	0.7
139.81380	0.5
175.14883	0.9
180.10271	0.6
203.03627	0.7
203.05298	2.6
203.58621	0.6
208.09412	0.6
215.14183	1.4
227.05228	1.2
233.15164	1.9
243.04704	0.5
245.06386	6.8
257.04532	1.4
258.04871	2.0
259.05087	2.5
271.04294	0.5
275.14890	1.1
285.95767	0.5
287.05170	0.5
289.05338	28.8
377.19330	0.7
395.20639	2.3
419.20541	3.4
437.21478	17.4
463.19455	21.2
481.10620	8.4
481.20511	100.0
482.20786	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Briarlide H
Peak:m/z	Relative Intensity
55.05510	1.8
63.92698	0.8
67.05502	3.6
69.03437	1.9
69.07076	3.0
70.03063	3.0
70.06595	1.4
74.29572	0.8
79.05489	3.0
79.86702	0.9
81.03428	2.3
81.07060	4.7
85.02925	1.4
91.05490	3.4
93.07043	3.7
94.65101	0.8
95.04981	2.8
95.08613	2.7
97.02891	0.9
97.06517	2.4
105.07040	3.4
107.05009	1.2
107.08612	4.5
109.06554	1.2
109.10149	1.9
109.38693	1.1
109.72076	0.9
119.08603	4.7
121.10163	2.1
127.03921	1.1
133.10146	2.5
135.11711	3.0
137.06012	1.9
147.11690	1.8
153.01855	1.5
163.03876	1.2
203.05286	1.9
215.14198	1.4
227.05269	1.0
233.15155	2.1
239.05864	0.9
245.06343	7.6
251.02802	0.8
257.04437	2.7
259.09708	1.7
267.05661	0.9
271.04242	0.8
286.04572	2.0
287.05536	1.2
289.05313	28.0
311.05658	1.1
313.06201	1.8
319.09387	1.0
335.17300	0.9
395.20474	3.4
419.20404	3.0
437.21463	19.5
463.19427	25.2
464.20123	1.4
481.10349	3.6
481.14670	5.0
481.20505	100.0
482.20734	3.5
482.27234	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	481.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05510	1.7
56.96567	1.0
57.03434	0.8
57.81117	0.6
64.32756	0.7
65.03943	1.1
67.05521	3.5
69.03417	1.5
69.07056	2.2
69.81561	1.5
69.81979	2.2
70.06588	1.1
79.05497	3.1
81.03444	1.5
81.07061	3.8
83.04955	1.0
83.08614	1.0
85.02946	0.8
91.05489	1.9
93.07042	3.0
95.04996	1.4
95.08607	2.6
97.02914	0.8
97.06548	3.5
98.21399	1.2
98.97590	0.7
103.05453	0.7
105.07029	2.7
107.04980	1.1
107.08591	3.9
109.02898	1.1
109.10127	1.4
117.07040	1.0
119.08591	3.8
121.06519	0.7
121.10175	1.1
123.08096	0.9
127.03926	0.9
131.08572	1.0
133.10143	2.5
135.11710	2.3
137.06024	1.7
137.09662	1.4
145.10147	0.9
147.04424	1.2
147.11752	0.9
153.01863	2.1
163.03882	1.7
175.14781	1.0
203.05357	1.7
215.14301	0.8
227.05266	1.2
233.15271	3.2
245.06328	9.1
257.04630	2.0
271.04401	1.2
286.04877	1.4
289.05325	25.1
312.06113	0.9
313.06226	1.5
319.09619	0.9
395.20395	2.9
419.20425	3.8
437.21481	17.5
438.49380	0.8
463.12885	1.5
463.19434	24.2
481.10617	4.0
481.14890	3.8
481.20532	100.0
482.20789	3.4
482.27362	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	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76194	0.5
60.04533	5.5
65.70601	0.4
67.05500	1.0
69.03442	0.7
70.02965	0.8
70.06592	1.5
71.20859	1.2
79.05508	0.8
80.07146	0.5
81.03441	1.1
81.07073	0.6
84.85260	0.5
85.02891	0.9
86.09708	22.5
87.01728	0.5
87.05598	6.0
91.05453	1.4
93.07059	1.9
95.04974	0.9
97.02872	0.6
98.97588	1.1
103.05469	3.8
105.07014	0.6
110.97549	0.5
120.08113	100.0
121.02886	1.2
121.08447	0.8
127.03875	0.7
128.10709	2.7
148.64729	0.5
163.03909	0.7
173.12875	24.3
193.05006	1.1
201.12352	10.7
226.61426	0.7
240.78183	0.5
261.16046	1.0
281.11353	27.3
283.15543	1.2
285.17026	1.4
303.16934	1.6
348.19177	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97156	0.5
60.04530	6.3
65.28240	0.4
65.83096	0.4
65.85679	0.4
67.05504	0.6
70.06616	2.4
70.06909	0.4
71.54830	0.4
71.55253	0.7
71.77783	0.4
72.21976	0.4
74.35245	0.4
79.05505	0.7
81.03432	0.6
81.07095	0.5
83.90442	0.4
85.02911	0.8
85.96691	0.4
85.98833	0.4
86.09715	21.7
86.10242	1.0
87.05612	4.9
91.05493	0.7
93.07058	1.5
95.04947	0.9
95.08634	0.6
98.97588	0.7
103.05475	3.8
105.06985	0.6
110.09729	0.5
120.08121	100.0
121.02867	1.3
121.08486	0.8
121.10200	0.7
128.10760	2.6
134.04503	0.4
145.10106	0.6
151.90585	0.5
163.03946	0.6
173.12877	28.0
201.12366	12.9
219.01860	0.5
233.16635	0.5
235.10831	0.4
281.11340	27.5
283.15454	1.2
285.17026	1.0
303.17014	1.7
348.19287	0.8
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
53.03943	1.4
55.01863	1.2
55.05512	6.8
55.52085	0.9
56.96558	1.2
57.03443	4.8
59.76044	1.0
61.02921	3.6
63.74173	0.9
67.05510	9.4
69.03410	3.3
69.07059	2.1
70.06583	5.0
71.04992	2.3
71.54668	1.8
72.08121	1.3
78.81793	0.9
79.05511	9.0
81.03426	35.5
81.07072	9.3
83.04989	7.1
83.08632	11.8
85.02911	12.2
85.06574	1.1
86.09720	1.0
87.24052	0.9
91.03944	1.3
91.05489	10.4
93.07040	6.9
93.68760	0.9
95.04965	13.7
95.08597	3.0
97.02882	2.7
97.06545	2.5
97.10177	1.9
98.97580	1.9
105.07035	7.9
107.04974	3.0
107.08596	4.2
109.06506	3.6
109.10159	2.2
111.04445	1.2
111.08080	8.5
113.05987	1.9
114.99500	1.2
119.08601	7.6
121.10162	5.3
123.08082	1.3
125.09628	1.2
129.06987	4.1
131.00223	1.0
131.08572	6.9
133.06497	1.5
133.10136	7.9
137.09602	2.9
141.82246	0.9
142.07751	2.0
147.07996	2.3
147.11707	8.2
149.09630	3.5
157.10146	8.9
165.12761	3.0
167.47223	1.0
174.09320	1.0
175.11188	10.3
187.07674	1.3
193.12257	43.5
211.13306	39.2
215.07022	5.0
229.14351	2.0
241.08728	1.2
259.09799	2.9
267.15958	14.3
285.16983	100.0
286.17227	3.2
482.27502	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	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21587	0.2
55.05517	0.4
56.05031	1.0
57.03447	0.7
57.07082	3.2
58.06579	1.4
60.08168	17.9
67.05511	1.1
69.07073	1.0
69.80202	0.5
69.80566	1.6
71.07382	7.0
71.08643	2.5
81.07059	0.9
83.08632	0.4
85.10194	0.9
86.09714	52.5
87.10065	0.3
95.08614	1.3
98.20681	0.3
98.98476	3.9
103.05544	0.3
104.10754	100.0
105.11072	0.7
109.10191	0.4
109.29646	0.3
125.00017	27.7
129.06216	0.3
131.04953	1.0
140.59337	0.3
163.01590	0.4
184.07356	94.7
185.07790	0.5
191.74118	0.3
196.64986	0.3
230.34882	0.3
258.11105	0.9
299.25864	1.8
405.24054	0.5
455.95102	0.3
464.31433	7.8
482.32498	25.1
483.32764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38597	1.4
55.05508	3.4
57.07085	63.5
59.84359	1.4
64.40001	1.4
69.07076	7.8
71.08641	60.7
73.06568	4.2
81.07071	2.2
83.08631	2.9
85.10189	38.2
87.04488	2.7
89.06042	100.0
90.59802	1.5
97.10149	2.9
98.20759	5.2
99.11756	8.3
107.07092	2.0
111.11754	4.7
113.13304	4.3
117.09166	2.6
127.14830	3.5
130.08640	2.1
133.08623	67.4
177.11223	24.6
195.12320	6.3
239.14864	5.4
271.26334	2.9
283.17529	34.5
283.20386	2.8
315.29102	3.5
465.37964	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76263	0.5
55.40312	0.5
56.96565	1.4
58.54845	0.5
69.64149	2.3
95.47644	0.5
96.46567	0.5
98.20775	1.1
98.97588	9.3
116.98644	5.7
132.96625	0.7
134.99637	1.8
156.96593	1.4
174.97655	6.7
190.95685	1.1
192.98759	4.2
198.97809	0.9
208.96693	0.7
214.95654	7.0
216.98801	4.5
232.96719	20.5
233.96799	0.6
234.99841	5.5
238.95750	1.6
250.97791	10.3
253.00853	0.7
256.96722	32.2
257.96927	1.3
258.99933	6.6
260.99887	1.3
261.02808	0.9
264.99182	0.6
265.07019	0.6
274.97784	60.9
275.97910	3.2
277.00861	5.6
278.01019	0.7
279.01041	1.2
280.96707	3.2
283.00003	9.4
284.00165	1.9
284.99673	0.9
289.96524	0.7
290.95642	0.9
292.98782	8.1
297.99127	0.8
298.97778	77.6
299.97888	4.4
300.98013	1.1
301.01080	11.4
302.01160	1.5
303.00977	2.0
305.01093	0.6
314.95926	0.6
316.98843	100.0
317.99023	4.7
318.99075	1.2
331.00555	0.6
332.96844	0.8
334.99982	2.2
340.00275	2.9
340.98859	2.7
356.96878	1.6
358.99979	6.6
374.98090	3.3
380.96805	1.0
384.99985	0.9
387.01123	0.5
398.98068	4.1
399.98367	0.6
401.01190	1.5
406.10062	0.5
416.98962	9.9
418.98685	0.9
422.97736	6.7
425.01013	1.2
433.87479	0.6
440.98962	75.6
441.99225	5.4
443.02295	2.5
458.99982	75.0
460.00320	6.2
461.00351	0.8
473.01727	1.1
482.01712	5.1
483.00610	4.4
484.00787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76244	0.8
54.77782	0.8
69.60169	5.5
76.35427	0.9
77.40257	1.0
82.99453	1.0
82.99887	4.0
88.75072	1.0
94.99850	1.6
97.02927	2.0
98.97610	3.1
101.00889	18.9
107.90707	0.8
109.02905	1.2
110.97579	1.0
113.00905	5.7
115.02481	1.1
116.98602	1.0
119.01933	19.0
127.02417	4.1
128.98637	1.3
129.03986	1.3
131.01924	16.3
133.03545	0.8
137.00890	1.1
137.01997	1.0
137.02956	1.0
139.02409	1.3
140.98616	1.1
143.01903	25.4
145.03484	13.7
147.01405	1.5
149.02995	1.1
149.95752	0.8
155.01903	33.0
157.03465	8.3
158.99660	1.9
159.01395	2.7
161.02965	19.0
165.30891	1.0
167.01904	13.9
169.03513	5.0
170.17438	0.9
171.05048	2.7
173.02983	43.3
174.03011	1.0
175.04546	1.5
177.01074	1.2
177.02467	5.2
179.01923	4.7
181.03532	1.7
183.01395	5.0
183.05022	1.1
185.02972	50.0
187.04544	4.0
189.00755	0.9
197.02956	17.2
199.04388	1.3
201.02464	66.9
202.02597	1.5
203.04063	13.3
209.03026	4.4
213.02431	12.1
215.04018	9.7
219.03529	85.6
220.03619	2.6
221.05028	2.3
225.02298	1.8
227.04048	11.0
229.05647	1.2
231.01637	1.2
231.03545	10.7
237.00298	1.0
237.02515	3.9
237.04590	1.4
239.03949	1.1
243.03549	3.3
245.05098	100.0
246.05373	2.1
247.58807	0.9
249.04623	8.7
255.03581	4.6
257.05069	5.4
261.04718	18.3
263.06177	10.5
273.04718	1.4
275.06161	13.4
279.05823	5.4
285.04590	2.7
291.05606	1.1
293.07275	2.7
303.05679	28.8
305.07175	11.1
321.06696	39.6
335.08264	3.4
339.08176	1.1
356.37149	0.8
363.07538	1.2
365.09317	9.0
371.14957	1.0
450.28302	0.9
483.12012	19.6
484.12152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.3
55.01862	3.9
55.05507	7.9
56.96568	4.4
57.03428	4.3
67.05497	4.9
69.03432	13.1
69.03767	2.7
69.07060	4.8
69.71643	4.7
69.72056	13.7
70.57460	2.5
72.08145	3.0
74.50777	3.1
79.05505	6.5
81.03416	9.7
81.07059	6.6
81.88382	3.0
83.04974	2.6
84.08179	4.1
85.02910	16.6
85.06534	4.5
86.09717	5.1
91.05495	10.3
93.07059	10.3
95.04955	3.5
95.08608	6.6
97.02913	7.3
97.06549	5.8
98.97580	6.5
99.04462	3.4
103.03920	3.4
103.69138	2.6
105.07032	12.0
107.08601	13.4
109.02947	4.3
109.10173	4.6
115.05528	5.0
119.08553	8.0
120.91418	3.1
121.10134	7.0
123.11655	3.4
127.03918	10.7
128.06221	5.0
131.08580	10.4
132.04510	4.0
133.10143	12.9
135.11726	7.0
141.07018	11.6
143.08571	3.1
145.04965	3.0
145.06526	4.6
145.89696	2.8
147.04358	6.4
147.11635	3.8
149.13347	3.4
157.06516	3.9
157.10178	6.1
158.10933	3.8
160.05200	5.9
161.06006	11.3
163.03905	11.3
167.08542	4.8
169.06511	11.6
173.06055	6.6
173.13258	9.8
174.10391	4.1
175.03934	4.3
175.07475	5.4
177.05466	5.4
178.05002	100.0
178.06476	5.9
184.05243	3.4
185.09633	5.9
187.07570	33.9
189.09137	15.9
191.07103	2.9
195.08006	7.7
197.05923	6.4
199.07498	3.1
201.05522	6.8
203.11029	3.3
213.09099	16.8
214.63326	5.1
215.07030	54.6
217.08670	5.6
223.07603	9.5
228.13922	15.4
231.10185	5.2
237.14372	32.1
237.64442	4.1
241.08673	21.9
243.10188	9.7
246.14902	87.6
246.65121	16.5
247.09676	12.8
259.09677	13.9
259.20596	3.8
277.21646	4.8
285.22104	4.8
286.17358	4.9
300.69183	2.8
303.23343	10.4
358.08267	3.5
438.78586	3.6
491.29153	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	483.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.8
57.03446	5.5
67.05508	2.5
69.07069	16.9
70.72927	6.0
71.04994	3.2
79.05510	16.7
81.07044	5.8
89.03948	2.7
91.05482	3.4
97.06544	58.2
111.08109	10.4
112.08822	3.4
117.03419	4.4
122.23704	2.0
131.04944	2.5
133.02884	4.2
135.04427	8.2
145.02834	4.6
147.04463	3.0
159.04459	3.9
161.02397	11.8
162.03178	2.9
163.03934	34.1
171.04517	2.3
173.02356	88.3
177.05501	6.4
185.06000	3.0
185.09633	2.7
187.04016	4.5
191.03419	12.0
195.08067	3.0
215.07045	76.3
217.15674	2.6
233.08208	2.7
241.08644	49.1
259.06961	3.6
259.09708	70.2
273.11243	100.0
283.65430	2.8
287.05524	12.3
291.12314	4.9
428.36551	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	483.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08987	0.6
52.64417	0.6
52.64734	0.7
53.03955	0.9
55.01880	2.1
55.05512	3.1
56.85025	0.7
57.03453	3.8
59.05011	0.9
61.02910	1.6
65.03954	0.7
66.39060	0.6
67.05514	2.5
69.03429	1.8
69.07075	24.2
70.06573	1.6
70.06977	2.2
79.05495	10.5
81.03441	1.0
81.07073	2.4
83.04984	1.7
85.02917	1.0
85.06547	1.6
85.25694	0.8
87.08107	1.1
87.98941	0.7
89.03931	2.3
91.05499	1.1
93.07061	1.1
95.04964	1.5
95.08603	0.8
97.06541	88.5
98.21385	0.7
107.04948	1.5
111.04439	1.0
111.08099	1.7
117.03390	4.0
117.93420	0.6
119.08577	0.9
124.54835	0.7
129.06947	0.6
129.09134	2.5
131.08551	0.8
133.02870	4.3
135.04440	6.6
145.02861	6.5
145.10242	0.9
147.04422	1.2
157.06471	1.1
159.04427	8.9
159.08112	0.8
161.02361	29.9
163.03920	63.2
169.06482	1.0
173.02357	59.0
177.05470	0.9
185.06006	3.4
186.03120	0.8
187.04028	1.1
187.07571	3.0
191.03389	8.7
195.08151	0.9
197.05963	1.3
213.08957	0.8
215.07045	100.0
216.07388	1.3
223.07625	0.7
233.08112	4.6
241.08636	17.3
259.09683	31.0
260.10077	0.7
273.11240	15.9
291.12292	99.9
292.12543	1.8
465.17130	1.0
483.18018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26626	1.1
53.03921	1.1
54.27687	1.2
55.01875	2.2
55.05502	2.2
57.03434	2.8
59.47093	1.0
67.05495	2.4
69.03421	1.3
69.06789	1.1
69.07080	14.1
69.22136	6.1
69.22556	4.5
70.38455	1.1
71.48668	1.0
78.46272	1.0
79.05508	10.9
81.07059	3.0
83.04991	2.1
85.02926	1.0
89.03919	1.8
95.04966	1.5
97.06548	30.1
105.47329	1.0
106.31860	1.0
107.08601	1.2
111.08073	4.3
112.08853	2.9
117.03407	3.1
129.09145	1.3
131.04968	1.4
132.65652	1.0
133.02867	7.2
135.04425	4.6
138.99399	1.3
145.02847	4.7
147.04294	1.2
147.75821	1.0
159.04436	4.4
161.02361	9.1
162.03021	1.6
163.03928	27.6
167.08556	2.3
173.02371	89.7
177.05472	6.9
182.70317	1.0
185.05994	1.9
185.09731	1.2
187.03969	2.0
191.03387	10.1
195.07986	2.8
213.09091	3.1
215.07053	82.2
223.07576	1.0
233.08101	4.0
241.08656	23.4
259.09689	46.1
260.10062	1.1
273.11252	100.0
274.11646	1.3
291.12433	5.5
407.13489	1.2
483.18048	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29821	3.4
55.01870	6.9
55.05509	16.3
56.96570	10.4
57.03440	9.7
58.27902	3.8
67.05515	11.9
69.03427	11.5
69.07078	51.8
70.06599	16.6
71.04977	4.5
71.56096	6.0
78.32443	3.3
79.05518	19.0
81.03407	8.6
81.07053	16.1
83.04990	4.2
83.06790	3.9
84.04520	5.9
85.02903	16.6
86.09712	8.0
87.08115	4.8
89.03934	5.5
91.05493	11.8
93.07042	15.8
95.04956	8.1
95.08612	13.1
97.06547	99.7
97.10176	6.5
98.97597	5.5
99.04440	5.9
105.01833	4.9
105.07053	11.7
107.08605	11.5
109.10171	5.6
109.57470	3.6
111.04461	6.3
111.08084	8.3
111.11749	6.8
116.07031	4.5
117.03406	5.4
118.28048	3.6
119.08587	7.6
121.10143	10.0
121.43125	4.1
123.08102	5.4
123.11672	5.4
127.03956	6.3
129.07036	5.0
131.04959	5.3
131.08560	4.5
133.06508	6.0
135.04407	8.8
137.06071	3.6
137.09634	5.1
143.08595	4.6
145.02872	10.1
147.04448	7.2
147.11673	5.4
151.11201	4.3
159.04428	10.6
159.08112	6.2
161.02342	30.7
161.09718	6.3
163.03923	76.7
173.02362	57.0
181.04930	5.8
185.09642	3.8
191.03436	6.2
215.03583	8.4
215.07062	100.0
217.18076	7.8
218.55319	4.3
241.08759	21.4
259.09668	36.8
273.11221	10.8
286.04697	6.1
291.12314	81.4
321.02667	10.8
421.55359	4.4
429.57196	4.4
441.14999	4.7
483.16153	14.7
483.22974	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61020	2.5
55.05511	25.2
57.03438	6.7
57.07089	13.1
60.29381	2.7
67.05510	4.8
69.07071	27.6
71.08627	7.5
78.55224	2.9
79.05479	3.9
81.07051	6.5
83.08629	22.6
94.27896	3.1
95.08604	4.5
97.10158	16.5
98.98476	16.6
106.00404	2.8
111.11704	4.5
139.53217	2.6
155.01050	7.5
229.07001	3.6
253.43726	3.1
311.25848	100.0
312.25992	3.6
431.49405	3.3
447.25223	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	484.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17089	0.2
53.03941	1.0
55.05501	0.3
56.96539	0.2
69.03436	2.1
70.06586	0.9
71.05000	0.3
71.27427	0.2
71.83506	0.2
72.08160	0.3
73.02894	0.3
81.03429	2.1
81.07073	0.2
83.04956	0.2
84.08141	0.3
85.02916	4.4
86.09695	0.5
91.05480	0.4
97.02901	2.9
98.97586	0.5
99.04462	2.6
103.03948	3.0
104.05000	0.7
109.02888	2.1
109.10188	0.2
111.04471	0.2
112.99165	0.2
115.03931	0.3
116.98624	0.2
119.08603	0.5
121.10206	0.3
122.06049	0.4
127.03925	6.0
130.50656	0.2
132.04465	4.6
145.04979	2.3
147.04485	0.3
161.06010	0.3
169.06491	0.3
175.14813	0.5
178.05009	100.0
179.05392	1.0
187.06039	0.9
215.07025	0.4
216.07341	0.5
219.01784	0.4
237.64563	0.3
246.14893	1.2
246.65128	1.3
271.08160	0.3
286.79456	0.2
340.10086	0.3
368.58820	0.2
484.14746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2003
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
58.86681	0.6
65.64293	0.6
67.05504	1.1
69.03429	0.7
69.07069	0.9
70.60349	1.8
72.47121	0.6
77.00907	0.7
79.05510	0.6
81.03408	0.8
81.07068	1.8
85.02929	0.8
86.30246	0.6
91.05470	0.9
93.07046	0.7
95.08602	1.1
97.06521	1.8
105.07057	0.8
107.04961	1.6
107.08565	0.7
109.10162	0.9
117.07053	0.6
121.10158	1.1
127.04059	0.7
141.05139	0.6
145.10176	0.8
159.25310	0.7
163.03934	1.8
163.11159	0.6
183.69411	0.6
219.12340	0.6
237.13049	7.5
255.14426	5.9
260.15195	0.6
271.04370	1.1
279.14621	1.9
381.18997	1.2
399.19492	5.7
441.20972	41.6
442.21240	0.9
458.05310	0.7
485.20023	100.0
486.20483	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	485.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
56.05044	6.5
57.07070	2.0
62.59381	0.8
67.05491	3.0
68.05034	1.2
69.03441	0.8
69.07060	1.9
70.06601	56.7
70.79090	1.2
70.79406	1.4
71.04984	1.5
71.06929	0.9
72.07870	0.8
72.08166	9.1
74.02444	0.9
83.06115	3.9
84.04512	100.0
84.08151	63.3
85.02905	2.5
86.09714	9.6
94.06561	3.2
95.04963	3.5
97.02880	1.3
98.06059	1.6
98.97585	3.7
99.04459	2.5
102.05556	2.1
107.08612	1.0
108.08125	4.1
112.03922	0.9
113.06036	4.5
116.07106	21.9
116.98634	0.8
122.05986	1.6
122.09703	0.9
126.09177	1.4
129.06612	2.5
130.05019	23.7
130.08653	20.8
135.09209	3.8
136.07588	6.2
137.09711	0.7
137.10747	3.2
138.09142	3.7
140.10744	1.5
148.85820	0.9
149.10750	3.1
150.09148	10.8
151.12305	3.7
152.10687	3.9
154.08630	4.1
158.99617	1.2
160.55096	0.8
164.07030	1.1
167.08197	3.4
168.06592	1.4
168.10190	3.8
169.13370	1.0
177.10268	0.9
181.09703	6.5
182.08144	17.7
183.11342	1.1
195.07652	4.0
195.11305	3.1
196.09708	16.8
197.12836	1.1
199.10693	1.1
209.09154	1.0
213.08763	2.0
213.12389	1.6
215.14191	0.9
219.01732	1.1
223.07130	5.9
223.10683	1.0
227.10150	3.9
237.02650	1.3
240.13492	1.0
241.08224	12.8
241.11876	2.2
245.11366	3.5
259.12921	4.9
292.12839	3.5
294.14548	2.0
297.54459	0.9
306.14523	3.5
308.16223	1.1
310.13947	7.3
312.15439	2.9
320.12363	1.7
324.15622	8.4
326.17096	3.3
334.14191	1.4
338.13498	10.9
352.15128	7.9
356.14578	16.7
357.13040	1.0
370.16144	10.0
379.23270	1.0
381.10434	0.8
423.22513	11.3
429.99066	0.8
441.23349	1.5
443.08643	1.2
467.21463	31.3
468.20456	2.2
485.10196	1.5
485.16281	3.5
485.22412	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	485.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03498	0.7
55.05512	3.4
56.05037	2.4
56.96563	1.3
68.05048	0.9
69.03439	1.4
70.06602	100.0
71.04992	0.9
71.55524	0.9
72.08162	33.0
78.77593	0.7
81.03417	1.4
84.04514	39.4
84.08187	0.8
85.02921	2.2
86.09741	2.1
89.40325	0.7
93.07034	0.7
94.06576	1.1
95.04989	1.0
96.04501	1.5
98.06064	7.3
98.97618	2.7
99.04485	2.0
108.08124	4.1
110.09733	1.0
114.05528	0.9
115.08730	1.5
116.07106	35.8
116.98610	1.1
126.09202	1.0
127.03963	1.3
130.05070	2.1
135.09232	2.8
136.07594	17.2
136.08542	1.2
137.10777	1.0
138.09125	3.5
142.04993	6.5
144.06567	18.7
145.04979	1.1
151.03886	0.7
154.08687	2.2
158.99738	2.0
164.07108	4.9
177.00922	0.8
181.09749	5.0
182.08144	14.7
184.09813	0.9
189.00919	0.7
195.11438	1.9
196.09731	7.2
198.11295	8.4
209.09344	2.9
215.14088	2.7
219.01859	1.5
224.09189	13.0
227.10443	2.4
239.10518	2.1
241.11847	7.6
242.10173	3.5
257.11334	1.1
259.12918	33.6
260.12857	1.3
267.09885	2.6
267.17224	1.4
285.10834	14.2
285.13736	0.7
312.19324	2.3
323.09311	0.9
338.17224	1.0
356.18207	25.9
382.95822	0.7
422.19733	1.2
467.21930	1.4
474.64966	0.7
485.10983	1.7
485.22778	2.0
493.33658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41305	0.7
50.57361	0.7
53.03941	1.5
53.19696	0.7
55.01876	1.1
55.05501	1.8
56.38383	0.6
56.96546	1.5
57.03428	3.0
57.07070	1.2
61.02931	3.3
67.05502	1.5
69.03433	8.0
69.07053	0.8
70.06605	9.0
70.70094	1.1
70.70448	1.8
71.04995	8.4
72.08157	2.9
73.02908	1.4
73.06557	2.1
81.03405	3.4
83.04976	0.9
83.08625	1.5
84.04508	1.5
84.08120	1.8
85.02911	45.8
85.06483	1.0
86.09721	5.6
87.04477	1.1
87.08062	0.8
91.03946	1.8
91.05450	1.0
97.02902	12.5
98.97614	1.5
99.04459	2.1
104.10749	2.4
105.03400	3.5
107.08603	1.0
108.27122	0.7
109.02880	4.8
109.10156	3.2
111.04449	0.8
116.98595	0.9
123.04528	0.8
127.03915	10.4
127.11202	23.0
128.98590	0.8
136.07477	0.8
137.06004	0.9
145.02907	1.3
145.04973	17.2
145.06149	0.9
145.12245	100.0
146.12563	1.2
147.04405	0.9
151.03912	0.7
163.03911	1.8
163.06024	5.0
167.07039	1.3
169.09689	0.8
177.05484	3.9
179.07030	0.9
184.07359	2.6
191.07030	1.6
219.01711	1.2
229.15388	1.3
252.09521	0.8
259.09778	0.9
262.74115	0.7
324.06351	0.8
324.31854	0.8
456.09747	0.9
487.21286	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3066
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
53.03941	2.8
53.87232	1.5
55.01868	3.2
55.05519	19.6
56.05036	4.5
56.31471	1.6
57.03435	4.6
57.07074	7.0
65.03938	2.9
67.05226	1.7
67.05513	22.5
69.03432	2.9
69.07076	55.1
69.80250	8.5
70.93853	1.6
71.04982	5.9
79.05502	13.1
81.07063	54.2
83.04986	3.2
83.08624	12.2
84.04512	69.2
85.06541	5.0
87.04465	3.8
91.05481	13.9
93.06470	3.4
93.07055	60.1
95.04984	43.6
95.08618	45.7
95.09190	1.7
97.06546	10.8
97.10161	5.4
102.05550	43.3
105.06403	2.0
105.07040	19.7
107.08611	34.0
109.06509	4.6
109.10164	32.3
111.08102	14.3
111.11743	5.9
117.07033	2.4
118.65274	1.6
119.08595	17.8
120.03506	1.8
121.06519	2.8
121.10154	36.6
123.08059	1.5
123.11723	22.0
125.09598	2.4
125.50225	1.5
129.60832	1.6
130.05025	29.9
131.08574	7.7
133.10132	15.7
135.08052	2.2
135.11700	25.2
137.09615	2.7
137.13226	5.7
139.11189	6.6
145.10167	9.3
147.08064	1.9
147.11703	18.6
148.06067	53.1
149.13249	6.2
151.11224	2.3
151.14842	2.2
153.12785	19.5
159.11713	19.9
161.13268	7.4
163.11160	4.6
163.14879	3.7
165.12802	3.4
167.10710	2.4
171.13831	12.3
173.13268	3.7
175.14883	3.7
177.12753	4.7
177.16368	3.3
181.15909	1.8
185.13214	1.8
186.23599	1.5
187.14781	3.1
195.13824	1.9
195.17421	4.7
198.45197	1.7
201.16440	2.7
205.19446	1.9
211.10916	1.6
217.14299	4.3
217.19460	1.8
247.85594	1.7
257.22644	8.7
267.21210	2.0
275.23749	17.0
281.24786	3.0
285.22110	8.6
291.23245	9.0
293.24725	15.7
303.23212	100.0
309.24347	6.3
321.24191	16.9
339.25204	2.3
404.27893	3.4
410.28778	3.3
422.29190	9.2
432.27908	3.1
438.28577	2.4
440.29727	2.7
450.28525	8.9
468.29510	4.6
486.17426	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42151	1.2
52.09425	1.4
53.03934	4.3
55.01871	1.6
55.05264	1.5
55.05520	24.5
56.05035	6.5
56.96576	1.5
57.03444	1.7
57.07086	5.8
59.04998	1.4
65.03938	1.9
67.05515	24.1
67.99759	1.3
69.03430	5.5
69.07078	46.4
69.25459	8.7
69.25864	1.8
69.28220	1.3
70.06593	2.3
71.04980	3.1
71.08624	1.5
72.39348	1.2
77.03949	1.2
79.05504	12.7
81.07069	67.9
83.04984	4.9
83.08614	4.5
84.04516	100.0
85.02920	3.6
85.06573	5.8
86.09727	3.5
91.05494	9.2
93.07057	33.4
95.04977	14.0
95.08617	52.2
97.06541	15.3
97.10180	31.9
98.20724	2.4
99.08123	2.3
101.05968	1.6
102.05556	45.9
105.07045	18.1
107.08611	24.8
109.06539	8.0
109.10173	23.5
111.08098	8.6
111.11737	9.9
115.11267	1.7
117.03369	1.4
117.06996	2.5
119.08607	17.3
121.06498	2.5
121.10165	21.9
123.08075	4.3
123.11727	40.7
125.09624	6.6
129.06958	1.6
130.05020	38.8
131.08563	5.1
133.10149	11.1
135.04439	2.6
135.08041	2.3
135.11711	15.0
137.05983	1.4
137.09680	3.8
137.13255	5.4
138.12788	4.5
139.11188	23.9
143.10661	3.2
145.02864	2.3
145.10147	7.5
147.04413	1.7
147.11711	14.8
148.06070	47.0
149.09589	1.3
149.13246	4.1
151.07472	1.3
151.11224	5.8
153.12762	3.5
157.10153	2.7
157.12268	18.6
159.11729	14.0
161.13287	7.8
163.03937	14.5
163.11211	5.0
163.14885	2.0
165.09106	1.7
165.12791	8.9
173.02295	2.0
173.13292	5.2
174.02734	1.5
175.11287	1.2
175.14784	4.0
177.12773	5.8
177.16452	1.4
179.14310	2.7
184.13353	5.8
185.11752	1.6
187.14859	4.8
189.11256	1.6
191.14343	2.7
193.15839	1.9
195.13777	1.4
201.16438	2.1
203.12805	7.0
205.15880	2.0
209.15402	1.8
211.14728	1.6
213.16257	1.6
215.07115	3.0
218.07872	1.5
219.17563	1.6
227.61523	1.3
229.15929	1.7
229.19571	1.6
233.15475	2.1
235.16623	1.3
237.18652	1.2
237.73543	1.2
245.52730	1.2
250.14442	2.0
259.07309	2.1
259.09732	17.5
260.10019	1.4
263.23709	3.0
267.20984	2.2
268.15494	8.7
271.12802	1.4
272.14911	2.3
273.22202	2.5
275.23721	6.9
277.21756	2.3
285.22137	7.5
286.16492	7.7
291.23236	6.0
300.14261	1.9
303.23209	19.3
309.24127	1.7
314.16064	5.3
316.17709	2.4
321.24268	5.2
380.24640	1.9
392.28064	2.2
404.27988	2.0
420.27408	5.2
422.29282	1.4
432.27557	9.7
438.28497	7.9
450.28549	14.8
468.29507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23275	3.2
55.05522	5.1
57.07089	22.1
67.05499	7.5
69.07068	9.4
71.08632	13.1
71.55305	7.2
71.78996	2.9
81.07100	6.4
85.10159	4.3
87.04470	23.9
93.37434	3.6
95.08610	5.5
99.11798	3.4
107.08511	4.6
108.31951	3.1
109.10166	6.3
113.47985	3.5
119.08588	3.9
121.10131	3.6
135.08028	3.9
137.09624	12.3
149.09610	14.4
159.11726	4.7
163.11241	14.9
165.09119	100.0
173.09576	4.5
173.13219	4.5
175.11250	5.5
177.09100	10.0
187.11154	3.3
191.10677	11.2
203.16284	3.1
205.12247	5.7
219.13824	5.8
303.16086	3.4
429.37253	57.1
430.37802	6.3
485.62061	3.9
486.47955	4.3
487.35532	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	487.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70241	0.7
56.96571	20.6
60.18573	0.7
65.03931	2.2
67.05502	3.1
68.48619	0.8
69.03435	1.4
69.07055	1.1
69.63087	4.2
70.06590	1.9
71.04990	2.2
79.05505	1.3
81.07045	1.0
84.96050	5.1
85.02954	0.8
86.09698	1.2
91.05508	1.9
92.98813	0.7
93.07040	1.5
95.04979	83.5
95.08559	0.7
97.02876	0.9
98.97594	65.4
99.04461	5.0
105.07025	1.7
107.08598	2.2
109.06556	1.1
110.97590	6.8
111.08076	0.8
112.99146	1.4
115.00689	1.0
116.98642	23.7
119.05034	0.7
119.08617	1.3
124.99136	1.7
127.00679	2.5
127.03885	1.5
128.98624	8.3
131.00159	1.6
133.02866	2.6
133.10167	3.5
134.99695	4.4
135.08061	1.4
140.00221	1.1
141.02242	1.7
143.00179	2.4
144.98067	1.2
145.01727	0.7
146.99686	2.3
147.04430	1.0
153.09132	3.8
155.03827	1.1
158.99680	17.9
159.03340	2.0
161.01180	1.5
163.14894	0.8
169.98894	1.0
170.99661	1.6
173.13287	1.3
175.04002	1.3
175.14862	1.3
177.00739	17.9
177.02188	1.5
177.05801	0.7
179.03592	1.3
181.05418	1.2
183.03346	0.8
189.00717	1.1
195.01868	0.9
195.06984	3.2
197.04967	1.7
199.06438	0.9
201.00722	1.0
205.05333	1.0
207.06888	0.9
211.06299	0.7
213.08006	4.3
215.06026	0.8
219.01772	14.5
219.03625	1.1
221.08484	6.2
223.06421	1.5
237.02831	14.2
237.08040	2.1
239.09564	12.7
247.10121	3.2
257.10645	3.0
263.09586	2.4
265.11157	11.7
269.10553	0.8
279.04047	1.7
281.10641	3.7
283.12219	11.8
289.11154	4.2
293.10764	1.2
299.11603	2.0
301.13330	5.2
307.12186	16.1
311.11734	1.8
325.13348	11.9
329.12833	0.9
343.14276	3.2
355.14264	1.1
367.14304	5.1
383.13861	1.4
383.90610	0.9
385.15387	2.1
401.14835	1.4
409.15176	3.7
427.16476	100.0
428.16833	1.5
445.17419	6.0
487.18036	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	487.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.05518	3.5
69.03426	15.4
69.07086	2.8
70.06596	25.4
70.50517	6.7
70.50896	6.1
71.04977	6.8
72.08154	19.7
81.03425	20.8
84.04511	12.2
84.08152	5.4
85.02918	4.3
86.09719	17.7
91.05505	4.2
98.97598	5.1
99.04458	4.0
116.07122	9.8
129.10239	4.1
133.02866	7.6
144.06549	5.2
145.07642	3.2
147.09184	6.1
173.07146	10.0
175.03951	4.4
175.08693	7.7
177.05272	3.5
181.57056	2.7
184.07318	3.9
191.08180	100.0
205.31624	2.9
259.12973	5.9
299.19852	3.0
301.07059	4.5
307.12900	25.6
325.14029	62.4
326.17612	2.8
352.69965	2.7
487.11050	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2156
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05495	0.2
55.29244	0.2
67.23321	0.2
69.07074	0.4
70.06599	1.2
70.65198	0.6
70.65564	0.5
77.03513	0.2
81.03426	0.5
84.04505	1.3
84.08153	2.8
85.02914	0.4
86.09705	2.1
87.34389	0.3
91.05493	0.4
93.07041	0.3
95.05016	0.4
96.04491	0.3
97.02911	0.2
105.07065	0.4
107.08598	0.3
113.06001	0.4
130.05025	0.7
130.08629	1.8
133.03505	0.3
163.03883	0.6
185.04292	0.4
193.12279	0.3
196.09735	0.8
211.13403	0.7
224.01671	0.3
225.46721	0.3
242.10298	0.7
251.11331	0.8
259.12921	2.8
268.15350	0.4
269.12399	1.2
293.12564	0.5
315.87881	0.2
325.16196	2.7
469.19720	0.4
487.21548	100.0
488.21927	3.5
502.93680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36207	5.0
52.64654	4.3
55.05518	23.3
56.96553	5.1
57.03436	6.7
57.07073	6.6
57.77859	4.1
58.86658	4.3
67.05510	34.2
69.03412	7.0
69.07088	36.8
71.06547	9.0
74.37377	4.9
79.05479	14.2
81.07066	79.9
83.08620	10.0
84.04510	80.7
91.05457	16.7
93.07060	37.7
95.04990	7.5
95.08053	8.0
95.08614	100.0
97.06516	17.9
97.10173	12.8
97.54742	4.5
102.05555	45.3
105.07027	17.4
107.08589	36.8
109.10168	25.7
111.08071	5.9
111.11696	7.3
112.10197	4.5
119.08596	19.8
121.10158	29.1
123.11728	44.6
125.09630	6.8
130.05023	48.3
133.10115	17.4
135.11717	12.9
137.13231	18.1
139.11160	7.7
147.11682	11.7
148.06052	65.7
149.13254	27.4
151.11145	5.0
153.12733	4.7
161.13274	8.8
163.14838	12.7
286.16663	6.9
287.23648	8.9
293.24844	13.2
305.24802	41.4
309.42545	4.7
311.48013	5.4
314.15717	5.3
328.17636	6.0
406.29468	6.7
422.28754	13.3
434.28903	13.7
440.30203	34.2
452.30115	18.6
488.18933	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	488.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.1
55.05516	19.0
57.07072	5.9
67.05518	28.5
69.07073	32.9
69.36755	7.9
69.37154	26.0
71.08630	4.0
79.05491	18.8
81.07066	61.3
83.08620	14.3
84.04041	6.7
84.04514	98.2
84.70313	3.5
91.05479	18.5
93.07049	41.6
94.74641	4.1
95.08619	62.6
97.06532	12.6
97.10164	11.7
102.05535	42.8
105.07048	34.4
107.08601	50.9
109.10175	34.5
110.24992	4.2
111.08074	8.4
111.11686	3.6
116.19710	3.6
119.08581	34.9
121.10155	38.1
123.11716	15.4
124.17739	4.1
130.05008	67.6
133.10179	27.7
135.11720	20.3
137.09555	4.4
137.13249	7.7
145.10089	7.1
147.11717	19.6
148.06064	100.0
149.13278	26.3
159.11658	7.5
161.13258	9.6
163.03915	8.4
163.14706	4.1
173.13293	4.6
175.14929	5.5
177.16414	7.9
193.15912	4.0
208.28542	4.0
259.09610	6.3
259.24197	8.2
275.23755	5.9
277.25256	9.3
286.16571	5.0
287.23749	11.0
305.24881	12.2
397.22540	6.1
406.29523	3.8
422.28802	7.2
434.29047	7.8
434.68942	4.0
455.23315	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	488.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	31.6
56.96563	11.8
57.07079	9.8
67.05515	35.0
69.03426	7.9
69.07070	39.0
70.06600	9.2
71.54855	7.8
74.80734	6.0
79.05497	32.0
81.07059	82.3
83.08611	15.6
84.04506	88.1
85.02909	8.3
88.53973	6.0
91.05491	18.1
93.07049	47.4
95.04967	13.5
95.08609	69.9
97.06553	32.4
97.10194	14.4
99.56086	7.0
102.05534	45.5
105.07008	30.7
107.08577	42.1
108.00369	6.0
109.06483	8.6
109.10152	31.9
119.08568	42.5
121.10152	34.7
123.11667	13.8
130.04999	54.2
132.05154	6.6
133.10115	30.8
135.11723	18.7
137.13327	8.7
145.10123	13.6
147.11664	24.4
148.06055	100.0
149.13251	44.9
159.11670	12.8
163.03885	34.9
163.14838	10.7
173.13252	6.6
175.14815	8.0
213.51840	6.8
222.12907	7.0
229.49538	6.9
259.09735	12.7
259.24213	9.2
269.22650	6.4
273.07742	7.6
275.23737	10.6
277.25229	7.1
305.24637	23.2
312.56161	6.9
313.60406	7.0
327.19412	6.8
335.87402	7.2
406.28983	7.2
452.30325	8.8
488.18115	21.8
502.57834	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	488.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.9
57.03435	10.6
57.07076	34.3
59.04989	4.8
59.59776	5.3
67.05507	85.8
69.07087	7.8
69.31725	16.2
69.32143	30.9
71.08629	30.3
81.07047	23.4
83.08630	13.3
85.10213	8.5
89.06029	8.3
93.07045	7.2
95.08620	30.5
109.10165	93.0
119.08620	7.7
136.07755	6.0
149.74153	5.0
153.37595	5.5
155.10681	7.8
173.11765	19.8
229.14359	98.7
279.30414	4.9
299.25806	100.0
327.71875	5.6
416.19464	7.5
430.21140	5.7
443.04071	6.0
453.35736	53.9
473.23071	7.9
488.25864	59.8
488.36581	18.0
489.22824	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	489.3581
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03948	3.9
55.01876	1.7
55.05515	15.8
55.39077	0.9
56.10279	1.0
56.36302	1.0
57.03423	4.3
57.07076	2.5
59.04997	3.1
65.03933	3.1
67.05511	68.5
69.07079	15.8
71.04993	3.9
79.05503	26.9
80.71364	1.1
81.03407	1.6
81.07064	37.3
83.04965	1.4
83.08638	7.7
85.06540	3.5
91.04965	2.0
91.05488	23.3
93.07053	33.7
95.04967	2.7
95.08622	29.2
96.95775	1.1
97.06544	2.9
97.10173	3.3
99.08134	1.2
100.47064	1.2
105.04473	1.3
105.07045	22.9
107.08604	17.3
109.06527	2.2
109.10170	35.0
111.08114	1.4
114.14816	1.2
115.46068	1.0
117.07027	9.2
119.08595	29.6
121.10153	16.6
123.11681	2.8
125.09659	1.3
128.06267	1.5
129.07028	5.6
131.08569	17.8
133.10146	17.9
134.60150	1.1
135.11688	9.9
137.09645	2.6
139.11185	2.8
141.06985	1.9
143.08603	6.7
145.10124	16.8
147.11705	12.4
149.09587	1.2
149.13254	4.4
154.41402	1.2
155.08598	2.5
155.10617	2.8
157.10173	7.0
159.11687	12.4
161.13280	7.6
163.14835	2.2
169.10191	3.5
171.11732	7.4
173.11763	8.0
173.13304	8.0
175.11180	1.3
175.14890	2.4
177.12770	1.3
183.11755	4.1
185.13281	3.9
187.14812	4.3
197.13289	1.5
199.14850	3.3
209.13289	1.5
211.14832	1.6
213.14864	4.0
215.17847	1.2
227.18022	1.7
231.17377	1.3
239.18016	2.2
241.19705	1.3
243.21025	1.4
245.18956	1.9
253.19658	1.4
259.20593	2.9
261.22208	3.4
265.19598	1.4
271.20670	2.0
273.21991	2.0
285.22260	2.8
299.23718	1.9
303.23077	1.7
377.26953	1.5
379.30087	10.3
397.31125	13.2
415.32175	5.9
433.33234	2.1
471.34818	12.0
489.35800	100.0
490.36703	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	489.358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55668	1.0
51.86876	1.1
53.03936	3.0
55.01873	1.9
55.05516	21.3
57.03432	5.0
57.07077	2.8
59.04987	2.4
63.66490	1.1
65.03942	3.6
67.05511	100.0
69.07066	13.2
70.20448	2.8
70.20846	2.5
71.04984	3.4
79.05062	2.7
79.05500	35.3
80.60815	1.2
81.03400	1.9
81.07063	45.7
83.05019	2.3
83.08625	9.4
85.06538	2.3
91.05488	30.3
93.06463	2.5
93.07053	45.3
95.04974	3.7
95.08617	30.3
97.06524	4.5
97.10181	5.2
105.07036	21.7
107.08611	21.2
109.06498	1.5
109.10168	57.0
111.08088	2.8
117.07020	9.1
119.08586	27.6
119.09354	2.0
121.10153	20.3
123.08130	1.4
123.11679	3.0
125.09652	3.0
129.07002	3.7
131.08578	14.6
133.10133	17.0
135.11697	10.9
137.09642	2.9
139.11214	2.4
141.07004	1.8
143.08603	5.2
145.02888	1.9
145.10133	18.6
147.11679	12.2
149.13278	5.6
155.08601	1.9
155.10686	4.0
157.10161	4.5
159.11723	11.0
161.13280	5.4
163.11203	1.4
163.14886	1.4
169.10162	2.5
171.11720	4.5
173.11754	14.0
173.13313	7.1
175.14777	2.5
177.05478	5.6
183.11694	2.7
185.13318	3.5
187.14876	5.4
197.13289	2.2
199.14850	4.0
201.16470	1.9
211.14912	1.9
213.16536	1.8
225.16405	1.7
241.19748	1.8
261.22165	4.6
285.22180	1.9
291.20172	1.2
303.23593	1.5
311.23807	1.4
313.40878	1.2
317.24448	1.6
329.25156	1.8
367.26282	1.4
379.30081	9.1
389.15103	1.2
397.31110	10.6
415.31985	3.0
471.34708	9.7
489.35803	98.9
490.36050	3.8
506.67816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60831	2.9
50.77071	2.8
53.03941	5.1
54.87021	2.7
55.01870	4.0
55.05520	2.9
57.03428	4.9
61.48920	3.0
65.74447	2.7
69.03436	15.4
69.07083	4.2
69.40264	22.0
70.06599	5.0
71.04987	4.7
79.05499	6.7
81.03432	18.0
81.07063	24.5
83.04984	4.4
85.02923	38.6
85.06564	7.1
87.00835	10.6
93.07059	8.9
95.04958	5.1
95.08627	15.5
97.02898	13.6
97.06530	6.1
98.20697	2.8
99.04475	7.0
105.01866	13.5
105.07042	16.0
107.08610	41.5
109.02911	15.9
109.06562	31.2
116.66572	2.9
119.08592	9.3
121.10162	23.2
123.08081	40.8
123.11730	5.4
125.06032	3.4
125.09606	6.5
125.56120	2.9
127.03934	28.6
131.08554	7.2
133.06468	3.7
137.13255	4.5
137.62032	2.7
145.10112	6.1
147.11702	25.3
149.09654	32.3
151.03940	3.7
151.07564	43.7
159.02960	5.3
161.13231	4.7
163.03905	3.1
163.11230	5.6
165.12779	28.2
167.10698	12.8
171.11719	7.1
179.14307	17.7
183.13876	5.6
189.12839	16.4
202.01857	3.0
207.13835	100.0
225.14880	17.5
231.05028	6.9
241.09737	5.0
313.12057	5.5
329.10330	3.6
490.16354	6.0
490.22684	7.1
491.14981	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	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
54.98951	4.0
55.01878	5.7
55.05490	4.0
56.96572	4.6
57.03442	5.2
59.05022	4.9
64.67970	4.1
67.05509	8.2
69.03436	17.7
69.07064	7.5
70.06603	10.1
71.04996	8.4
79.05506	7.2
81.03429	21.5
81.07060	30.3
85.02910	52.1
85.06551	6.4
87.00832	13.7
91.05499	9.8
93.07053	4.6
95.04988	11.4
95.08625	9.1
97.02894	19.9
97.06567	8.1
99.04485	9.7
105.01862	11.9
105.07045	18.8
107.08604	49.4
109.02894	16.6
109.06532	39.0
109.10141	6.2
115.19787	3.8
117.01856	3.7
119.08583	12.1
120.08097	4.5
121.10188	28.5
123.08092	37.8
123.11772	11.5
125.09689	7.5
127.03922	36.4
128.26727	4.3
129.95398	4.1
131.08592	16.0
133.10156	6.0
139.11200	4.8
145.04985	10.2
145.10120	6.6
147.11700	30.2
149.09663	43.3
151.07559	49.6
159.02979	7.1
165.12776	41.5
167.10686	14.4
171.11696	8.2
175.98795	4.2
178.86020	4.4
179.14381	25.3
180.30800	3.6
183.13873	11.1
189.12834	20.0
207.13829	100.0
225.14838	17.8
231.05038	4.9
241.09964	8.2
250.47476	4.1
253.09755	8.8
257.19937	4.5
292.24561	4.0
313.11786	9.1
329.10187	14.7
490.16318	7.2
491.15228	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	490.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98753	3.6
53.03949	4.2
55.05524	20.4
56.96567	9.1
57.07077	6.7
67.05521	28.0
69.03417	6.3
69.07074	28.2
71.55206	4.5
71.55669	5.2
79.05498	23.9
81.03416	9.1
81.07073	65.0
83.08620	14.1
84.04518	67.0
85.02919	5.7
91.05491	17.0
93.07066	26.6
95.04981	8.4
95.08621	68.9
97.06548	30.4
97.10182	13.5
98.97583	4.6
102.05545	34.2
105.07033	12.4
107.04972	9.2
107.08624	27.3
109.10162	24.7
117.03348	5.0
119.08585	10.0
121.06535	5.9
121.10147	21.4
123.11725	20.9
124.99303	4.1
125.09612	7.3
130.05019	56.1
131.08549	5.8
133.10094	10.6
135.11711	8.7
145.10139	6.9
147.11653	10.8
148.06068	100.0
148.32339	4.0
149.13278	16.9
151.11203	12.0
151.14824	6.7
163.03935	17.1
163.14851	6.0
177.16397	5.9
215.07014	13.5
219.13739	7.3
227.12788	9.1
247.13406	8.4
254.01013	6.4
259.09747	30.0
286.16809	6.2
289.25278	15.2
335.23135	4.5
351.22266	4.5
366.23065	6.4
424.30743	30.5
436.30588	18.1
491.14850	5.0
491.26492	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01878	13.3
55.05517	60.1
55.42106	1.7
56.96563	3.2
57.03421	5.0
57.07066	1.6
58.75494	1.6
59.04999	2.9
61.02912	2.1
65.03939	4.3
67.05510	52.5
69.03424	9.7
69.07078	20.1
71.01327	2.5
71.04977	7.4
74.90237	1.5
77.55418	1.9
79.05495	58.5
81.03423	30.4
81.07063	47.9
83.04992	13.4
83.08630	35.2
85.02898	4.7
85.06532	5.5
91.05495	37.4
93.03404	3.8
93.06484	2.0
93.07054	35.1
95.04984	32.5
95.08607	19.6
97.02867	4.0
97.06541	15.1
97.10178	57.6
98.20683	2.9
98.97594	2.2
99.08048	1.9
103.05475	2.6
105.03387	2.0
105.04565	2.6
105.07044	24.7
107.04967	41.4
107.08609	37.2
109.02876	7.2
109.06512	14.1
109.10164	20.1
111.04444	7.7
111.08082	8.4
115.05454	2.0
117.06364	1.7
117.07056	18.8
119.04905	2.8
119.08590	19.7
121.02881	25.7
121.06536	17.1
121.10146	13.4
123.04418	5.2
123.08043	5.6
123.11717	2.5
123.32021	1.8
125.09636	51.7
128.06146	2.7
129.06989	12.1
131.04918	6.4
131.08572	20.1
133.06505	8.3
133.10144	18.6
135.04413	12.0
135.08076	14.7
135.11688	9.1
137.06001	3.2
137.09589	2.3
139.07587	1.8
141.07025	3.7
142.07751	3.0
143.08554	7.5
143.10715	1.7
145.06480	7.7
145.10127	13.5
147.04391	5.8
147.08018	8.9
147.11641	5.1
149.05978	4.0
149.09610	5.6
151.03981	1.9
151.11137	4.7
153.09119	6.1
153.12686	2.6
155.08510	7.0
157.06490	2.6
157.10175	9.9
159.08055	4.0
159.11688	4.8
161.05966	4.2
161.09627	10.8
163.03929	11.5
163.07520	2.8
163.11177	12.2
169.10078	2.8
171.08083	3.4
171.10191	4.3
171.11568	2.2
173.02362	4.7
173.09593	3.9
173.13246	6.5
175.07489	2.6
175.11163	5.8
177.12718	4.0
179.10719	3.1
181.10146	2.6
181.12225	3.5
183.11671	5.1
185.09602	3.9
187.11238	3.1
189.09297	3.1
189.11223	34.8
189.12892	2.6
191.10706	2.9
191.14310	7.0
193.12241	15.8
195.11592	2.4
197.04173	2.2
201.12714	7.8
203.10654	9.1
205.12282	3.9
209.11691	9.3
211.11217	3.4
215.05203	3.3
215.07014	4.3
219.11806	3.1
219.13820	49.5
225.11150	4.1
227.12798	49.0
229.12231	5.9
233.15152	2.0
235.13177	1.9
245.11569	2.7
247.13310	34.6
259.09729	11.4
260.10049	2.0
263.12753	7.9
265.14264	7.0
267.15906	2.4
273.14975	2.9
281.13690	2.6
283.15506	2.1
299.09293	2.0
299.12781	4.2
319.15356	2.8
329.21121	2.3
347.22244	2.4
353.21066	6.1
355.22519	4.2
363.19586	3.3
367.22736	4.5
371.22198	9.0
373.23660	8.0
381.20563	11.7
385.23654	2.6
385.85104	2.0
389.23105	9.5
399.21698	19.2
402.04361	2.2
407.24023	2.2
417.22504	9.9
445.25870	13.9
455.24246	3.7
459.27344	7.9
463.26807	8.6
473.14053	4.0
473.25131	23.2
474.25745	1.7
491.15747	16.1
491.26245	100.0
492.26392	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	491.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05832	2.1
53.03951	11.2
53.22684	2.2
55.01877	34.4
55.05519	55.7
57.03448	19.4
59.04980	8.9
65.03931	7.0
67.05511	100.0
69.03408	7.9
69.07077	32.9
69.63065	12.6
71.01341	5.0
71.05001	17.9
77.03882	3.7
79.05501	97.0
81.03424	44.7
81.07066	69.3
83.01344	26.8
83.04562	3.1
83.04993	42.8
83.08232	2.6
83.08630	31.3
85.02919	13.1
85.06530	5.1
89.03871	4.8
91.05493	66.1
93.07055	95.1
95.04980	32.3
95.08624	30.2
97.02900	10.9
97.06534	15.9
97.10133	8.3
99.04457	7.0
103.05472	5.8
105.06393	3.2
105.07045	43.5
107.04967	39.8
107.08606	49.0
109.06532	21.4
109.10158	14.8
111.04414	10.7
111.08039	7.0
115.05461	4.6
117.03334	8.5
117.07026	33.0
119.08591	28.7
121.06538	16.7
121.09428	2.5
121.10163	26.0
123.08091	30.1
125.05977	6.2
125.09672	11.2
128.06149	3.1
129.06970	7.2
130.07755	8.4
131.04953	3.0
131.08574	12.1
133.10100	7.8
135.04416	14.9
135.08012	8.6
135.11707	39.5
137.09581	9.3
137.78345	2.4
139.07553	2.6
139.11189	2.6
143.08511	4.8
145.02856	12.5
145.06485	4.3
145.09070	3.1
145.10136	57.1
147.08006	7.8
149.09608	5.2
153.12773	17.6
154.38196	2.1
155.08517	7.0
163.03928	75.9
163.09871	4.9
163.11208	96.6
173.09628	14.0
181.12242	19.2
187.03787	2.8
189.11179	3.9
191.10649	13.4
197.98248	2.1
209.11739	35.9
227.12839	17.4
283.15402	2.6
299.12805	94.2
300.13248	3.3
367.22830	2.7
379.26770	2.4
385.23697	5.6
441.25940	2.9
459.27249	9.9
491.26154	96.7
492.25745	2.7
495.98148	2.7
503.44162	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	491.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.7
55.01874	17.0
55.05518	92.5
57.03435	6.5
59.05010	3.0
65.03935	2.8
67.05511	49.2
69.03432	11.0
69.07078	18.7
71.04996	7.7
71.56042	2.1
74.49419	1.6
79.05500	60.0
81.03424	19.2
81.07065	51.2
83.04993	13.3
83.08633	51.8
85.02910	3.5
85.06541	5.3
90.42431	1.8
91.05494	35.0
93.07054	43.2
93.07627	3.6
95.04983	24.7
95.08624	16.6
97.02902	3.6
97.06539	6.1
97.10182	91.2
98.93147	2.2
103.05475	2.0
105.07047	24.9
107.04965	47.8
107.08604	38.8
109.02889	10.4
109.06536	18.6
109.10142	10.5
111.04366	2.4
111.08104	9.8
113.90948	1.8
115.05444	3.1
117.07028	16.7
119.08596	13.7
121.02902	4.6
121.06519	31.2
121.10150	11.3
123.04433	3.8
123.08086	6.0
123.11736	4.4
125.05976	2.1
125.09644	75.9
129.07008	7.0
131.04982	2.8
131.08575	19.9
133.06528	5.6
133.10107	10.8
135.04446	2.4
135.08061	15.4
135.11720	4.7
137.06013	2.4
137.09651	2.1
141.07002	4.9
143.08583	6.1
143.10733	3.8
145.06496	8.6
145.10115	11.0
147.04436	5.3
147.08061	6.4
147.11723	6.6
149.05957	1.9
149.09644	4.0
151.03906	4.7
151.07562	3.3
153.09149	8.9
153.12721	2.9
155.08597	6.4
157.06476	2.2
157.10155	5.2
159.08066	5.1
159.11745	3.4
161.06055	1.9
161.09633	8.1
163.03941	3.7
163.11186	10.4
167.08691	1.8
167.10619	3.5
169.10144	1.9
170.57738	1.8
171.08034	4.7
171.10185	5.7
171.11691	4.8
173.09584	3.4
173.13338	10.3
175.11163	4.1
176.55002	1.8
179.08655	2.0
183.08167	3.3
183.11693	3.3
185.13266	1.9
187.11154	1.7
189.09213	6.1
189.11240	56.2
189.12929	3.7
191.10590	2.0
191.14343	16.6
193.12305	7.2
195.11781	2.3
197.13173	2.6
199.11206	3.1
199.13226	3.7
201.12746	3.0
205.12213	2.2
209.09738	1.7
209.11746	5.8
215.14474	2.1
217.12303	3.7
219.13824	83.4
225.11288	5.1
227.12773	31.7
227.14870	2.2
231.13617	2.4
233.15361	2.6
237.14943	3.9
247.13313	3.9
249.14882	3.4
256.21274	2.0
257.15344	3.0
263.12790	16.4
275.16397	6.2
299.12631	2.3
325.21655	2.1
339.23172	2.8
349.21729	4.3
353.21088	7.4
363.19711	2.5
367.22668	10.9
371.22223	14.5
374.09256	2.2
378.58997	2.3
381.20560	5.8
385.23694	13.0
389.23218	13.2
399.21695	13.1
403.24820	5.1
405.24631	2.4
407.24271	4.6
417.22641	5.9
441.26413	2.7
445.25909	21.7
459.27460	26.0
463.26938	16.8
473.25037	19.3
491.25760	100.0
492.26321	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	491.3009
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03949	6.9
55.01867	14.2
55.05271	3.2
55.05514	46.6
57.03432	8.6
57.98080	2.4
59.51667	3.0
65.03947	3.7
67.05175	4.2
67.05509	56.8
68.00664	3.2
69.03432	3.9
69.07078	21.4
69.49039	15.4
71.05000	20.0
79.05063	4.3
79.05497	70.1
81.03422	19.5
81.07062	58.8
83.04979	13.8
83.08616	19.1
85.06548	10.1
87.48157	2.9
90.56049	2.5
91.04971	4.5
91.05492	45.5
93.07056	64.1
94.45157	3.3
95.04977	35.9
95.08620	23.1
97.02923	4.3
97.06525	12.8
97.10177	27.2
98.20741	5.3
103.05492	3.6
105.07026	30.5
107.04964	57.7
107.08610	34.7
109.06549	30.3
109.10186	15.2
111.04397	4.6
111.08062	5.3
117.07025	20.2
119.04932	4.4
119.08580	23.2
121.06528	44.6
121.10143	27.8
123.04393	3.8
123.08083	8.1
123.11705	4.8
125.09644	25.6
129.06998	13.4
131.04897	6.5
131.08577	34.4
133.06514	9.8
133.10141	10.3
135.08040	12.7
135.11696	11.1
137.09575	3.1
139.11218	4.0
141.06985	6.4
143.08563	7.8
145.06476	14.9
145.10115	18.6
147.08035	13.2
147.11693	7.1
149.05940	3.9
149.09619	11.4
153.09183	4.7
155.08615	6.8
157.06534	4.6
157.10161	5.3
159.08052	8.5
159.11656	8.3
161.09682	7.4
163.03923	3.4
163.11172	12.0
165.09158	3.4
167.10715	8.3
169.09970	3.7
171.08025	4.7
171.10201	4.1
171.11642	4.8
173.09608	4.9
173.13235	4.3
175.07484	3.4
175.11137	6.5
181.10043	3.2
183.11598	4.2
185.13120	4.8
187.11180	4.2
187.14709	3.3
189.11188	13.3
191.10754	4.8
191.14342	8.4
193.12228	4.0
195.11700	4.5
199.13268	9.6
207.39619	3.1
209.11690	4.1
215.14227	3.4
217.12201	3.1
219.11920	4.5
219.13824	19.9
223.13176	4.7
227.12782	10.2
233.15382	7.1
237.12813	2.9
243.13992	3.1
249.14853	7.6
273.14801	12.9
275.16373	9.7
299.12866	4.7
332.06229	3.0
333.76105	3.3
339.23352	6.3
342.53101	2.8
349.21552	16.5
357.24103	3.5
367.22693	32.6
385.23807	49.6
403.24701	10.8
417.26288	6.0
423.25595	3.2
441.26645	7.3
459.21161	5.0
459.27463	87.5
473.29074	8.3
491.30499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3736
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
53.03946	1.8
53.16092	0.9
53.97441	1.0
55.01855	1.1
55.05519	15.6
57.03436	2.1
57.07074	2.2
59.04996	3.2
61.42256	0.9
65.03938	4.0
67.05508	100.0
69.07077	11.8
69.83817	1.8
69.84214	4.7
71.04992	2.5
71.08599	0.8
72.28082	1.0
72.90366	0.8
79.05499	16.6
81.07063	52.3
83.08624	9.1
85.06538	2.7
90.29884	0.8
91.05489	12.7
93.07053	16.6
95.04992	1.4
95.08613	35.9
96.08946	1.2
97.06527	1.3
97.10174	3.1
105.07048	6.7
107.08594	10.5
109.10163	57.5
111.08096	3.4
111.11723	1.2
117.07018	2.2
119.08595	10.7
121.10145	7.5
123.11723	4.6
127.11216	1.2
131.08583	3.8
133.10147	4.8
135.11711	5.1
137.09631	2.5
137.13301	2.2
139.11180	1.0
145.10153	2.8
145.32280	0.9
147.11697	4.6
149.09732	1.0
149.13301	2.7
151.07553	2.5
155.10692	4.2
157.10262	1.1
159.11707	1.6
161.13271	3.0
163.14833	2.6
173.11766	14.6
173.13200	2.0
175.14850	2.3
193.08098	0.9
213.14873	1.4
229.14276	1.8
245.22697	1.8
263.23703	6.1
399.32565	3.1
410.78827	1.0
417.33807	3.0
473.36209	4.6
491.30798	2.5
491.37341	59.1
492.37543	1.9
516.87103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3736
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
52.67882	0.7
53.03941	2.8
55.01866	1.2
55.05518	17.6
57.03434	3.3
57.07087	4.4
59.05000	2.2
65.03931	2.8
67.05511	100.0
68.05867	0.9
69.07075	15.0
71.04993	3.7
71.08620	1.9
71.55163	1.0
79.05059	1.5
79.05499	20.2
81.03416	0.9
81.07066	55.9
83.04980	1.8
83.08627	9.9
85.06545	2.4
85.10197	1.2
90.99948	0.8
91.05489	20.5
93.07053	25.5
95.04980	3.0
95.08614	39.6
97.06542	2.7
97.10177	6.0
99.08108	1.8
105.07037	11.6
107.08606	13.3
109.06568	1.2
109.10166	57.6
111.08088	3.4
111.11787	1.0
117.07017	3.9
119.08595	13.1
121.10148	12.7
123.11714	6.0
125.09631	1.4
131.08588	6.1
133.10152	9.2
135.11745	6.3
137.09621	1.8
137.13275	4.2
139.11208	3.1
143.08556	1.6
145.10133	5.8
147.11769	4.0
149.13287	4.1
151.14742	1.0
153.01787	0.7
155.10692	2.2
157.10182	1.9
159.11668	3.8
161.09653	1.1
161.13286	3.9
163.14857	2.4
171.11639	2.2
173.11766	13.8
173.13326	3.5
175.14883	3.1
177.16391	0.9
185.13260	1.8
187.14822	2.0
189.16428	1.4
191.18063	1.0
201.16478	0.8
203.17819	1.2
203.67374	0.8
211.14999	0.8
213.14838	1.8
229.14397	2.0
245.22769	2.9
263.23703	4.4
287.23822	0.9
379.28494	1.4
381.31424	1.0
399.32626	6.7
417.33667	3.2
435.34897	2.0
473.36234	10.7
487.56729	1.0
491.37357	75.9
492.37698	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25799	2.1
55.05508	3.9
57.03452	3.0
67.05508	5.2
67.22732	2.5
69.03437	11.7
69.07082	11.0
69.44819	16.9
70.06590	5.2
76.26007	2.0
77.39358	2.1
78.25934	2.0
79.05499	4.0
81.03431	4.2
81.07067	5.4
82.00700	2.7
83.08636	3.8
85.02911	6.0
86.09724	3.7
91.05482	11.0
93.07064	6.5
95.04976	3.0
95.08615	13.3
95.19592	2.5
97.02880	4.0
98.97613	3.4
102.05572	2.4
105.07047	19.3
107.08617	15.8
109.02886	2.7
109.10204	12.6
111.08091	2.5
117.07060	3.6
119.08606	53.8
121.10162	6.3
123.08054	4.0
125.09632	5.1
127.03983	3.3
131.08603	5.3
133.10147	46.2
135.11749	6.0
137.09619	4.4
145.02809	3.0
145.10187	5.5
147.11699	10.1
149.13330	3.8
150.09129	6.1
164.84235	2.7
167.14386	3.2
173.13301	6.6
175.14842	100.0
177.05536	3.9
181.00810	2.6
191.14342	17.7
193.15996	3.8
199.46754	2.3
209.15407	16.4
313.03671	4.0
316.97269	2.5
331.04611	4.4
492.15442	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.4
55.05516	6.1
64.97688	4.3
67.05510	9.1
69.03434	15.5
69.07091	12.2
69.25648	46.5
71.04985	4.5
73.02974	5.0
79.05487	11.0
81.03437	10.1
81.07069	30.9
83.04986	9.4
83.36018	6.7
85.02917	40.8
87.00836	13.9
91.05499	11.6
93.07065	17.7
93.50135	5.6
95.04979	35.3
95.08610	15.8
97.02908	17.5
97.06536	6.8
99.04474	13.6
105.01871	17.4
105.07054	37.8
107.08592	32.4
109.02874	14.6
109.06535	45.3
109.10167	23.0
119.08593	32.4
119.40769	5.0
121.10145	25.9
123.08096	8.4
123.11708	11.3
127.03939	29.7
131.08583	18.9
133.10136	81.4
135.00647	5.1
135.08095	5.1
135.11676	9.4
139.11201	12.6
145.04939	10.9
145.10170	9.1
147.11691	19.4
149.13306	26.0
153.09103	13.3
158.10928	8.9
159.02991	6.3
167.37170	4.8
173.13275	61.8
175.14862	72.5
191.14337	64.0
209.15387	40.9
290.90005	5.1
395.38153	5.2
492.30374	100.0
498.35880	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	492.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61570	0.9
53.03955	1.1
55.05508	3.3
56.25756	0.9
57.03442	1.4
59.04994	1.5
61.02917	1.1
67.05497	3.7
67.31805	0.9
69.03425	4.4
69.07079	6.6
70.06570	1.6
71.04972	1.7
71.55920	1.5
78.11633	0.9
79.05079	1.1
79.05508	16.2
81.03413	2.8
81.07069	25.2
83.04963	1.3
83.08644	1.1
85.02916	6.8
85.06529	1.1
86.09689	1.2
86.84843	0.9
87.00838	2.8
91.05482	5.8
93.07066	11.4
95.04977	1.8
95.08625	8.1
97.02878	3.1
97.06560	6.2
99.04447	2.1
105.01862	2.1
105.07039	7.0
107.08611	58.9
109.02884	2.3
109.06535	5.2
109.10165	3.7
115.07563	1.8
119.08625	4.6
121.09328	1.2
121.10158	19.6
121.62944	0.9
123.08046	3.3
123.11678	1.0
125.09660	3.8
127.03906	4.2
131.08556	1.9
133.10159	7.7
135.08051	2.4
135.11703	6.3
137.09605	1.2
145.05040	2.0
147.11685	3.6
149.09608	2.0
149.13290	3.4
161.13277	18.1
163.03918	2.6
163.14859	6.9
165.12721	1.6
173.13255	3.2
179.14339	100.0
191.14314	18.9
209.15384	16.8
215.07002	1.6
227.08476	1.0
227.16527	7.6
231.04991	1.4
240.87430	0.9
474.14719	2.8
492.15662	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	493.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
54.49858	0.3
55.05510	1.7
57.03428	0.4
67.05517	2.0
68.99798	0.7
69.07070	0.4
69.96276	1.9
79.05503	2.2
81.03437	1.9
81.07050	1.6
83.04958	0.6
83.08601	1.1
84.43170	0.4
91.05471	0.9
93.07044	1.2
95.04980	1.6
95.08660	0.9
97.06477	0.4
97.10230	0.8
105.07058	0.5
107.04963	0.8
107.08590	0.8
109.02876	0.4
109.06544	0.4
111.04440	0.5
119.04953	0.7
119.08575	0.8
121.02824	0.4
121.06531	0.4
121.10137	0.4
123.04437	1.8
125.09647	0.7
126.24716	0.4
129.07039	0.5
131.08615	0.6
134.03625	0.7
135.04436	0.7
135.11673	0.6
137.05977	3.1
143.05022	0.5
145.10167	0.5
147.08046	0.4
150.03143	1.3
153.00708	0.7
153.01855	8.2
159.04500	0.4
161.05971	0.5
162.03175	1.2
163.03975	2.2
163.11263	0.4
164.04695	1.3
167.07008	1.3
175.03923	0.7
176.04739	0.4
177.05463	0.8
181.12308	0.5
189.11258	0.4
193.12222	0.7
195.06622	0.6
203.03394	4.8
211.13446	0.4
213.05560	0.6
221.06015	0.5
227.12820	0.8
229.04982	3.6
241.04956	1.5
242.05748	11.1
243.06149	0.5
252.94749	0.5
253.05031	1.1
257.04480	29.5
258.05222	4.2
266.05563	0.6
269.04501	2.3
270.05286	5.0
271.06067	7.7
285.03943	4.5
286.04684	5.3
287.05524	0.5
294.05630	0.4
297.03964	5.1
299.43460	0.4
305.08084	1.2
308.06891	1.0
309.07773	0.8
310.04712	0.8
311.05627	1.0
333.07532	0.9
334.08347	1.7
344.06906	0.9
345.07568	3.7
355.04562	1.6
361.07098	4.7
362.07904	1.6
363.08600	0.8
372.06335	0.9
373.07117	11.6
374.07733	1.3
383.22247	2.0
389.06564	8.7
390.07391	2.8
391.08130	1.9
401.06613	2.4
401.23361	1.5
402.07343	0.4
417.05991	1.3
418.06845	7.4
419.07556	7.5
433.09055	2.8
446.06363	13.7
457.25967	0.6
461.08685	19.2
462.08704	0.7
475.26874	0.9
493.11328	100.0
494.11618	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	493.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
54.39460	0.3
55.05509	0.8
57.03435	0.4
67.05508	1.4
68.99796	0.4
69.07063	0.4
71.05008	0.4
79.05506	1.7
81.03415	2.3
81.07059	1.3
82.59644	0.3
83.04973	0.6
83.08621	0.5
85.02901	0.4
89.03928	0.4
91.05493	1.2
93.07059	1.2
95.04964	1.0
95.08607	0.6
97.06528	0.3
98.20753	0.5
103.05527	0.4
105.07029	0.9
107.04967	0.6
107.08612	0.7
109.06568	0.5
109.10122	0.4
111.04415	0.5
111.08101	0.5
112.43763	0.3
117.03412	0.4
119.08612	0.4
121.10133	0.4
123.04449	1.2
129.07030	0.4
131.08598	0.4
134.03670	1.4
135.04437	0.4
135.11729	0.8
136.05135	0.4
137.02333	0.3
137.05991	1.7
145.02841	0.7
145.10153	0.4
147.04422	0.4
147.11719	0.5
150.03117	1.3
153.01834	6.6
153.05391	0.3
154.02629	0.4
157.10150	0.5
162.03210	0.6
163.03923	3.2
163.11133	0.7
164.04703	1.1
167.07056	0.6
175.03888	0.4
175.11096	0.3
177.05571	0.4
181.12267	0.4
191.10670	0.4
193.12306	1.1
194.05733	0.7
203.03468	1.8
211.13367	0.8
213.05479	0.9
221.06004	0.4
227.12842	0.5
229.04903	1.7
241.05046	1.3
242.05757	12.8
253.05098	0.8
257.04468	16.5
258.05240	7.4
258.07846	0.5
269.04446	3.3
270.05270	2.9
271.06067	1.1
285.03946	3.6
286.04739	9.1
286.45364	0.3
287.05380	1.6
297.03970	5.5
301.14490	0.4
305.08157	0.8
308.06790	1.2
309.07303	0.4
310.04849	0.8
311.05759	0.5
317.08011	0.3
333.07520	0.7
334.08395	1.4
335.09247	0.8
344.06805	0.5
345.07602	4.3
346.08109	0.4
353.06766	0.4
355.04495	0.8
361.07092	5.3
362.07806	2.1
363.08786	1.7
372.06293	0.3
373.07123	6.2
374.07867	2.2
375.08435	0.4
376.05783	0.4
377.06403	0.3
389.06586	5.8
390.07352	4.1
391.08145	5.0
401.06656	2.3
402.07410	0.5
405.09271	0.4
417.06177	0.4
418.06863	5.4
419.07629	13.3
433.09009	2.2
446.06339	6.9
461.08673	6.9
475.27087	0.3
493.11316	100.0
494.11688	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	493.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.3
53.52264	0.3
55.01862	0.5
55.05495	0.9
65.03909	1.1
67.05506	1.9
69.03427	0.7
69.07054	0.9
69.61805	1.1
69.62222	1.1
71.07069	0.3
79.05485	1.5
81.03415	1.0
81.07059	1.6
83.04987	0.7
83.08608	0.6
85.02923	0.6
91.05473	1.4
91.12522	0.3
93.03367	0.5
93.07034	1.0
95.04993	1.8
95.08606	0.6
97.02872	0.4
97.06510	1.5
97.88631	0.4
98.97565	0.6
105.07021	1.1
107.04943	1.1
107.08607	1.0
109.10157	1.0
110.03638	0.6
111.04451	1.3
119.08579	0.6
121.02879	0.5
121.10125	1.2
123.04414	0.6
123.08080	0.4
125.05994	0.7
125.09642	0.6
129.06975	0.4
131.08577	0.6
133.10191	0.8
135.04480	0.5
135.08101	0.3
137.06010	0.7
145.02850	0.4
145.10136	0.7
147.04410	0.6
149.05966	0.4
149.09651	0.6
150.06747	0.9
153.01830	1.4
153.05499	2.2
163.03923	1.0
163.11137	0.4
167.03465	2.1
175.11197	0.4
178.18298	0.3
187.11125	0.4
193.12242	0.6
200.04692	1.4
201.12830	0.4
209.11723	0.5
213.05499	3.8
217.04962	2.1
225.05431	0.4
228.04199	3.6
229.05022	1.7
238.06259	0.7
241.04973	1.1
243.06563	1.6
253.05058	1.1
254.05742	0.9
256.03720	11.2
256.07343	12.0
257.04312	1.6
258.05234	0.6
259.09793	0.4
265.04987	0.4
266.03113	0.4
266.05783	1.6
268.03641	0.5
269.04654	0.4
270.05246	1.3
271.06046	57.0
272.06784	5.5
281.04428	0.8
282.05255	1.1
283.06015	1.3
284.06842	7.2
285.04102	0.7
285.07635	1.6
286.04742	5.1
293.04398	0.7
296.02933	0.5
297.04205	2.0
297.07291	0.6
299.05515	4.8
300.06314	12.4
301.07086	9.2
302.07162	0.4
311.05505	5.8
322.08475	0.4
323.05496	0.8
329.07581	0.4
332.06885	0.9
333.07513	0.5
334.04224	0.4
341.08200	0.6
343.06601	0.4
344.06693	0.7
357.07578	1.6
358.08209	0.5
359.05435	1.1
359.09399	0.7
360.06406	1.1
361.07028	1.1
369.07562	0.9
372.06339	1.3
373.07104	2.4
375.08652	1.2
383.22104	0.4
385.07196	0.9
386.08090	1.0
387.08661	1.4
388.05814	1.4
389.06458	1.0
389.10699	0.7
390.07462	0.7
391.08115	0.4
400.05753	1.5
401.06436	1.2
401.23392	0.6
403.08215	2.4
405.09906	2.9
413.06509	1.0
414.07544	0.8
415.08319	0.8
416.05054	0.6
417.05209	0.5
417.09827	1.2
425.20435	0.4
430.07089	0.5
431.07721	5.0
432.08435	0.6
433.09085	1.3
434.10123	1.5
442.07123	3.8
449.12320	13.3
459.07150	1.2
460.07968	2.7
463.10324	10.3
465.12259	0.5
475.10190	5.8
475.27051	1.2
478.09235	0.5
493.11334	100.0
494.11945	2.9
494.18680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82198	1.7
53.03920	1.5
55.01867	4.8
55.05523	10.6
57.03442	4.8
64.49622	1.4
67.01713	1.5
67.05515	14.5
69.03429	3.5
69.07073	22.3
69.65705	1.4
71.04993	2.3
71.08633	2.4
71.55901	2.2
79.05508	21.1
81.03416	13.0
81.07068	17.3
81.96652	1.7
83.04987	12.4
83.08617	6.7
83.67234	1.7
85.02905	3.0
89.03926	5.5
91.05495	13.6
93.07055	13.7
95.04977	7.2
95.08610	10.3
97.06544	4.4
97.10199	3.5
105.07054	8.7
107.04958	6.2
107.08604	6.1
109.06538	3.1
109.10184	3.8
111.04433	3.3
111.08083	2.7
117.03378	7.5
117.07005	3.3
119.08627	8.2
121.10164	6.7
125.09608	2.2
129.07025	2.9
131.08566	6.1
133.06462	1.7
133.10150	3.9
135.04459	14.3
135.08167	1.8
135.11725	5.0
139.11186	17.3
143.08580	3.1
145.02856	12.8
145.10121	3.2
147.08130	1.5
147.11603	1.6
151.73882	1.7
157.10106	3.5
163.03920	100.0
163.11208	4.9
172.70903	1.8
175.11232	2.3
181.12349	2.0
183.11703	1.7
193.12288	5.8
209.11638	2.0
211.13344	4.9
221.07768	1.6
227.12842	5.4
231.06459	3.1
262.04962	1.9
267.15921	3.2
301.10919	3.5
301.14386	66.2
304.92828	1.6
382.51288	1.6
383.22299	2.5
418.49088	1.6
475.26932	5.5
478.05322	1.9
493.27609	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	493.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01869	3.2
55.05516	15.5
56.96559	1.2
57.03452	4.9
65.03959	1.1
67.05508	17.1
69.03432	3.9
69.07072	18.6
70.00965	5.2
71.04995	3.3
71.08633	2.7
72.94162	1.2
74.40104	1.3
75.86992	1.0
79.05505	21.5
79.06532	1.1
81.03427	15.0
81.07064	14.2
83.01346	1.9
83.04990	21.8
83.08631	8.4
85.02911	5.2
85.06535	1.2
89.03930	4.5
91.05479	11.5
93.07053	19.4
95.04980	10.1
95.08614	15.7
97.02908	1.6
97.06532	5.8
97.10164	3.7
105.07039	8.9
107.04953	3.6
107.08619	6.8
109.06551	2.7
109.10191	3.1
111.04438	2.4
111.08096	3.3
117.03419	6.5
117.07010	3.8
119.04981	1.2
119.08603	6.7
121.06503	2.1
121.10155	6.5
123.08061	2.1
125.09670	1.4
129.07016	2.6
131.08577	5.7
133.10124	3.3
134.03607	1.1
135.04427	11.6
135.11746	4.2
139.11191	27.6
143.08484	1.3
145.02832	9.9
145.06470	1.6
145.10101	3.0
147.04356	1.8
147.08105	1.4
147.11723	3.2
149.09680	2.1
153.12662	1.6
155.08514	1.1
157.10146	2.0
159.04445	1.4
161.02374	1.6
163.03917	68.7
163.11224	6.6
173.02432	3.7
173.09608	1.6
175.11186	2.7
185.09618	1.1
187.03902	3.8
189.11267	2.5
193.12244	8.9
209.11758	2.5
211.13306	8.5
227.12811	2.3
257.11768	8.0
257.73248	1.1
267.15979	2.8
283.15677	1.5
301.14368	100.0
302.14572	1.0
344.20053	1.2
365.21078	1.3
383.22302	7.1
401.23291	3.3
475.26947	4.8
493.10846	2.2
493.27966	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.01866	3.1
55.05515	12.3
57.03438	4.1
65.03947	1.6
67.05511	24.1
68.99796	1.3
69.03426	3.7
69.07072	12.0
71.04995	3.3
71.08621	1.4
73.68669	1.4
79.05497	17.7
81.03421	11.3
81.07066	15.0
83.04987	18.5
83.08627	6.3
85.02882	2.6
85.06571	1.8
89.03911	1.6
91.05486	10.6
91.13525	1.2
92.80349	1.3
93.07043	19.6
95.04973	6.5
95.08613	21.9
97.02892	1.2
97.06544	4.8
97.10185	3.7
98.20775	2.9
103.05486	1.7
105.07034	7.9
107.04945	4.3
107.08607	6.3
109.06550	2.6
109.10164	4.2
109.31059	1.3
111.04455	2.4
111.05688	1.1
111.08069	2.6
114.68426	1.6
117.03420	2.7
117.07012	2.4
119.08605	5.6
121.06519	3.2
121.10136	6.7
128.06229	1.4
129.07027	3.6
131.08568	5.3
133.02884	2.7
133.10152	4.7
135.04416	5.0
135.11705	2.4
139.11179	34.7
139.12199	1.9
143.08638	1.4
145.02866	4.0
145.06554	2.4
145.10143	2.5
147.04431	3.8
147.11702	3.5
149.13293	1.5
153.01895	1.4
157.10075	1.8
159.04433	8.5
159.07988	1.4
159.11729	1.8
161.02388	7.7
161.09683	1.6
163.03912	36.4
163.11197	4.0
164.04251	1.7
165.12724	1.5
167.03441	1.8
173.02353	16.4
175.03958	1.4
175.11176	1.6
177.05414	1.4
181.12189	1.8
187.03894	16.8
189.05446	2.9
189.11313	1.8
193.12311	4.5
201.05447	1.5
205.04865	1.4
211.13347	3.7
227.12798	3.6
257.11771	19.4
301.14362	100.0
373.23969	1.6
383.22128	1.4
401.23248	1.4
475.26987	3.9
493.11026	2.2
493.18237	1.8
493.27930	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	493.2804
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.60658	1.5
53.03948	8.4
55.01880	11.0
55.05263	2.8
55.05518	36.6
57.03446	14.1
57.07072	1.8
59.04988	3.6
65.03949	4.3
67.05176	2.7
67.05513	43.1
69.03432	6.2
69.07072	16.5
71.01351	1.8
71.05009	9.3
71.05326	1.6
79.05499	51.9
81.03426	67.5
81.07067	49.9
83.01349	6.6
83.04537	1.2
83.04991	29.2
83.08629	30.7
85.02911	29.0
85.06551	3.0
91.05490	47.7
93.07056	50.9
95.04981	34.6
95.08619	25.7
97.02900	4.5
97.06557	12.2
97.10182	7.3
99.04446	2.7
105.07043	34.9
105.79465	1.5
107.04964	15.8
107.08613	21.7
109.02866	1.8
109.06512	8.5
109.10182	7.8
111.04440	8.1
111.08096	13.1
113.06003	2.3
113.75748	1.7
115.05450	3.2
117.03384	2.8
117.07027	11.9
119.08598	26.5
121.06528	4.5
121.10152	17.7
123.04483	2.2
123.08064	8.6
125.09644	6.0
128.06221	2.0
129.07011	12.0
131.04976	1.9
131.08585	12.8
133.06569	3.6
133.10121	13.1
135.04417	4.7
135.08058	3.7
135.11725	12.8
137.06013	2.9
137.09648	3.4
139.11192	12.3
142.07808	3.0
143.08611	1.7
145.02803	4.0
145.10127	17.2
147.04427	2.1
147.08069	5.7
147.11678	14.7
149.09631	5.5
153.01906	1.8
153.12753	6.0
155.08643	2.8
157.10158	9.2
163.03911	22.7
163.11186	27.7
165.12766	4.0
173.02431	4.2
173.09622	3.1
175.11215	15.7
181.12265	4.9
187.03868	2.8
189.11113	2.7
191.10701	4.1
193.12267	55.3
209.11774	6.8
211.13313	64.1
227.12810	6.7
249.15050	2.0
257.04453	4.6
257.11774	3.8
264.64200	1.9
267.15985	5.0
283.15417	4.6
288.80463	1.7
301.14392	48.4
342.12350	1.8
365.21533	2.6
383.21945	8.8
401.23163	3.7
475.20154	1.8
475.26691	7.7
493.11060	9.7
493.28012	100.0
494.28391	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	493.2803
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03944	6.5
53.54082	1.5
55.01659	1.6
55.01878	15.7
55.05515	33.6
57.03441	15.1
57.07085	1.8
57.88508	1.4
59.04999	4.3
65.03954	3.5
67.05169	2.7
67.05509	40.6
69.03422	6.3
69.07064	9.2
70.10448	2.4
70.10843	4.8
71.01353	2.8
71.04987	7.9
79.05499	54.4
81.03424	86.5
81.07062	45.5
83.01341	8.0
83.04990	21.9
83.08626	30.3
85.02425	2.5
85.02911	36.2
85.06541	2.8
91.05485	48.3
93.07050	48.8
95.04976	31.5
95.08613	19.7
97.02905	5.7
97.06524	9.9
97.10175	6.8
98.21415	1.8
99.04428	3.3
103.05468	2.1
104.71568	1.8
105.06379	3.1
105.07043	38.1
107.04961	16.3
107.08610	22.8
109.02876	1.6
109.06554	11.5
109.10166	6.4
111.04420	7.2
111.08086	16.1
113.06008	4.4
115.05444	2.1
117.07019	11.9
119.08575	24.8
121.06506	6.9
121.10159	19.7
123.04424	2.0
123.08065	9.2
123.11771	2.3
125.09631	4.2
129.07027	12.6
130.07713	2.1
131.08589	13.6
133.06577	2.0
133.10120	12.0
135.08060	3.4
135.11685	16.6
137.09627	4.2
143.08578	2.1
145.10135	16.5
147.08064	6.5
147.11684	14.7
149.09625	6.7
155.08595	1.8
157.10132	13.6
163.11191	36.2
165.12744	3.7
173.09625	4.7
175.11198	14.8
181.12262	6.0
191.10689	5.0
191.27675	1.5
193.12256	70.0
209.11787	9.7
211.13306	75.8
219.52896	1.8
227.12796	9.0
265.14243	2.0
267.15778	4.0
283.15506	4.8
298.07974	1.8
383.22220	3.7
396.12079	1.9
401.22928	3.2
475.27084	5.4
493.27988	100.0
494.28107	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	493.2814
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.05519	4.4
56.13459	0.4
57.05822	0.6
67.05502	0.9
69.07072	0.5
69.12593	0.3
70.01897	1.4
72.08162	47.7
73.08514	0.4
79.05500	0.6
81.03429	0.6
81.07077	0.9
83.04994	0.4
86.09705	0.6
91.05486	1.4
93.07085	1.7
95.04997	0.5
95.08611	0.7
103.05488	2.8
103.75132	0.4
104.10749	1.5
105.03214	0.3
105.07047	0.7
107.05001	0.4
107.08617	0.5
119.08554	0.7
120.08116	100.0
121.08459	1.0
121.10191	0.4
125.00040	0.5
126.12794	0.5
130.06548	0.4
133.10144	0.6
135.11719	0.7
151.47493	0.3
157.10016	0.3
171.14949	6.3
174.12776	3.0
183.74089	0.4
184.07405	0.9
193.12311	0.5
199.11449	0.4
199.14456	7.4
219.14943	16.1
222.12846	0.7
225.95265	0.3
247.14449	20.1
267.14987	8.4
273.19702	1.2
295.14468	11.3
301.19131	3.6
321.19553	0.7
346.21222	5.2
349.19327	2.4
394.21243	3.8
448.26251	0.8
465.28662	0.8
485.45795	0.4
493.27899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38171	5.2
53.85578	6.4
55.05519	13.2
57.07085	55.9
67.05511	34.1
69.07060	19.3
71.08646	47.4
79.05482	17.8
81.03421	11.2
81.07063	37.5
83.08611	25.6
85.02908	7.0
85.10181	25.2
91.05476	10.5
93.07040	18.3
95.04977	8.0
95.08622	52.5
97.10168	8.1
98.97565	6.7
105.06973	9.1
107.08612	8.2
109.10142	17.2
123.11687	10.9
130.94672	5.9
131.00191	9.8
133.10205	6.3
137.17766	5.7
198.04260	7.0
229.43234	7.6
239.23764	35.3
311.06540	7.0
313.27414	100.0
347.17389	49.6
354.72757	6.7
493.27878	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	493.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11723	4.2
55.05502	14.4
57.03434	8.0
57.07080	56.8
67.05514	47.1
69.07060	17.8
69.24562	42.9
71.08632	48.7
79.05489	9.4
81.03453	5.0
81.07066	40.5
83.08623	22.0
85.10181	24.3
89.52834	4.4
91.05492	12.7
93.07043	16.8
95.08598	43.6
97.10183	12.6
98.49001	4.1
105.07017	10.1
107.08614	5.6
109.10159	19.6
111.08118	6.8
111.11705	5.9
119.08564	7.1
121.10144	11.7
123.11758	7.4
124.93777	6.3
127.03822	5.4
129.06976	4.7
143.61200	4.6
147.11642	4.4
159.11745	4.7
194.87039	4.8
239.23705	35.9
257.24850	5.1
275.91779	5.0
313.27365	100.0
430.33917	6.0
493.22623	6.7
493.38162	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	494.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27935	1.0
53.11113	1.1
53.58357	1.1
55.01858	2.2
55.10172	1.1
68.99776	1.8
69.03426	2.3
70.06591	6.6
71.54965	1.8
79.05502	7.8
81.03416	1.7
81.07074	1.4
84.04490	2.0
84.08162	1.4
85.02910	9.2
86.09675	4.2
87.03741	1.2
91.05478	7.9
93.03400	1.7
95.04979	1.4
97.02910	2.3
99.04466	1.1
103.05486	6.2
103.06042	1.2
105.07035	46.4
106.04116	1.4
107.04951	1.9
115.05453	11.0
117.03310	1.1
118.04153	3.5
119.04902	1.6
119.95390	1.1
120.08091	3.9
121.06480	3.3
127.03861	1.4
130.06430	1.3
131.04948	2.8
133.06496	48.4
135.04391	3.4
136.06181	3.4
137.05986	1.4
143.06023	3.9
145.04999	2.1
147.04395	1.3
149.05972	5.1
161.05983	100.0
163.03867	4.2
167.07057	3.6
177.05472	4.1
181.04968	1.3
181.08560	3.2
182.43971	1.5
191.07056	1.4
192.07758	1.6
193.08604	81.7
195.06514	1.8
209.08087	16.6
210.08839	1.8
221.12874	3.5
223.05988	14.3
224.85280	1.1
246.14417	1.5
249.12367	1.9
314.03738	2.5
316.05911	2.3
317.06137	8.6
326.16098	2.3
331.08096	7.4
332.04907	2.4
332.08499	19.2
332.12674	1.8
362.18399	6.5
431.07452	1.3
437.18927	1.4
494.22617	5.6
494.30118	3.8
495.18369	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	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
54.84215	3.6
55.01864	6.3
55.05504	11.3
57.03437	8.7
59.04975	4.4
59.71991	3.6
63.59653	3.6
67.05499	9.8
67.56229	3.6
69.03423	16.6
69.07070	25.7
70.06594	6.2
71.04983	14.4
71.55067	5.5
79.05488	7.1
81.03404	19.3
81.07043	20.7
83.04996	4.1
83.08611	8.9
85.02899	39.1
85.06528	15.7
86.09695	6.5
87.00830	15.5
91.05479	9.4
93.06532	4.1
93.07053	25.5
95.04972	6.9
95.08613	37.8
97.02894	14.9
97.06538	25.4
99.04459	21.4
105.01856	15.7
105.07034	10.3
107.08604	31.0
109.02869	13.3
109.06497	11.2
109.10156	46.2
109.24677	4.7
111.08084	4.9
111.11726	6.6
115.07581	11.9
119.08560	23.6
120.08128	4.4
121.10143	15.2
123.08086	8.0
123.11696	9.8
127.03933	18.8
127.11172	6.7
133.10130	36.7
135.11696	44.9
137.09602	13.6
145.04974	8.7
147.11603	4.5
149.13307	18.5
153.12773	5.2
159.02866	5.6
163.03957	8.9
164.10840	4.0
165.12788	7.4
167.14368	5.5
173.07269	4.9
175.14836	71.9
177.16405	33.3
185.10721	5.4
185.15402	7.0
191.08189	17.4
193.12193	4.8
193.14200	7.1
193.15884	95.4
211.13290	16.5
211.16953	100.0
242.05704	7.1
251.10886	4.3
257.04288	20.7
258.05316	7.6
285.03497	4.6
286.04663	11.6
287.05478	4.8
305.14865	5.8
307.12814	6.9
316.05295	8.7
331.08130	5.1
332.08441	13.0
453.17734	3.9
477.11877	5.9
494.18204	22.3
495.12732	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01880	2.3
55.05501	6.5
57.03434	4.0
61.02933	2.0
67.05514	12.0
69.03439	11.2
69.07085	19.5
70.99940	4.0
71.05019	9.6
71.05332	2.0
73.02907	2.2
79.05495	8.1
81.03419	6.9
81.07066	16.5
83.08621	12.4
85.02917	24.5
85.06539	4.3
87.00838	8.0
91.05502	11.2
93.07057	23.6
95.04989	4.1
95.08619	27.7
97.02893	10.7
97.06537	13.3
97.10146	1.9
99.04447	4.7
105.01867	6.9
105.07066	9.7
107.05000	1.7
107.08605	35.4
109.02905	7.7
109.06532	9.8
109.09462	3.9
109.10169	53.4
111.08096	2.1
111.11733	4.3
115.07594	10.8
116.89487	2.2
117.07030	2.1
119.08591	17.8
121.10149	14.7
123.08050	5.5
123.11725	12.5
127.03897	12.7
127.11214	9.9
133.10158	32.9
135.11707	39.7
137.09651	8.2
145.04971	8.9
149.13261	9.3
153.12770	5.9
155.10681	2.0
159.02884	5.6
165.12747	2.9
173.11697	1.9
175.14848	56.2
177.16385	38.2
193.15915	76.0
200.25232	1.9
209.15405	3.1
211.16953	100.0
211.23547	2.0
231.04977	4.1
249.06259	2.4
271.05801	2.9
332.27930	2.8
423.20010	3.7
494.11502	5.3
494.27866	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	494.3241
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05519	1.5
56.04327	0.3
56.05029	1.2
57.03428	0.7
57.07077	0.7
58.06611	1.3
60.08166	17.2
62.47811	0.3
67.05505	1.6
69.07066	2.1
69.22126	2.0
69.22552	1.1
71.07377	6.6
79.05496	0.9
81.07063	2.2
83.08619	1.4
86.09708	48.5
93.07063	1.0
95.08592	1.6
97.06490	0.3
98.98464	4.2
104.10748	100.0
105.11069	0.4
105.66756	0.3
107.08625	0.8
109.10167	0.3
111.08073	0.6
121.10150	1.3
123.11671	0.4
124.42353	0.4
125.00009	28.4
135.11681	0.7
163.01569	0.6
184.07346	97.5
185.07722	0.9
194.74678	0.3
258.11108	0.9
269.36563	0.3
311.25757	1.2
406.59760	0.4
476.24545	0.4
476.31372	8.5
494.32437	24.1
495.32797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.3
53.70446	0.3
55.05515	2.2
56.05045	1.3
56.78305	0.2
57.03429	0.6
57.07073	1.0
58.06610	1.1
60.08168	16.8
67.05511	1.4
69.07073	2.9
69.40223	2.2
71.07378	6.9
71.08627	0.3
76.78300	0.3
79.05498	1.1
81.07072	1.5
83.08624	1.9
86.09711	51.3
93.07053	0.7
95.08622	0.9
97.06537	0.7
97.10187	0.8
98.98476	3.9
104.10751	100.0
105.11085	0.5
107.08612	0.8
109.10161	0.5
121.10190	0.9
125.00011	27.8
135.11687	0.4
156.50328	0.3
163.01614	0.7
172.95261	0.3
181.02705	0.3
184.07350	96.1
221.68227	0.3
258.11136	0.9
311.25800	1.4
351.37091	0.3
417.23981	0.6
476.24625	0.4
476.31445	9.3
494.32486	25.2
495.32776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
55.20383	0.2
57.03415	0.4
60.27936	0.3
67.01852	0.3
67.05482	0.7
68.99793	0.3
69.03406	0.3
69.07022	0.3
77.03915	0.3
79.05478	0.8
81.03392	1.0
81.07053	0.8
82.75999	0.2
83.04957	0.3
83.08599	0.3
86.83138	0.2
91.05477	1.6
93.07006	0.5
95.04970	0.6
95.08585	0.4
97.02899	0.3
97.06507	0.4
97.10147	0.3
98.68568	0.2
103.05447	0.6
105.07009	0.8
107.04994	0.4
107.08585	0.3
108.92484	0.2
117.07019	0.4
119.04966	0.4
119.74364	0.2
121.06483	0.6
121.10210	0.3
131.04909	0.7
132.05714	0.3
133.02826	0.5
133.06535	0.4
133.10147	0.3
135.04454	0.8
136.05145	0.2
140.04652	0.7
146.03618	0.6
147.04469	0.4
147.11661	0.3
149.06084	0.5
151.03873	0.5
153.01846	3.7
153.04343	0.3
153.05487	2.7
157.10085	0.3
161.06000	0.5
165.05453	0.3
166.06262	0.7
167.03362	0.4
167.07021	0.8
168.07849	1.9
177.05455	0.6
178.06235	0.7
180.07773	0.5
191.07074	0.4
193.12222	0.5
196.07353	0.6
196.85555	0.3
203.03401	7.6
211.04007	0.2
211.13257	0.4
213.05455	0.6
229.04968	6.9
241.04964	1.1
242.05722	2.8
243.49031	0.2
253.04947	0.4
257.04468	90.3
258.05124	4.0
269.04465	0.8
270.05234	0.8
271.06091	0.7
285.03967	4.4
286.04758	7.9
287.05521	8.7
297.03986	6.1
298.04303	0.3
299.05591	0.6
327.04965	0.5
341.06763	0.3
345.07831	0.4
359.09052	0.6
375.08780	0.4
378.01819	0.3
387.08652	0.5
388.09378	0.5
389.06638	0.6
403.08002	0.4
405.10114	0.3
407.07626	0.5
415.08246	0.4
416.08978	0.3
419.07715	0.4
433.09070	1.1
447.07004	0.6
449.08600	0.6
461.08704	0.6
463.10577	0.2
465.11899	3.9
477.11865	1.9
480.10516	0.3
494.04260	0.3
495.12909	100.0
496.13251	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	495.1305
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
51.02380	0.2
51.73341	0.3
52.83336	0.3
53.03936	0.5
55.05519	1.3
56.05820	0.4
57.03416	0.8
57.54737	0.2
67.01847	0.4
67.05522	1.8
68.65125	0.3
68.99783	0.5
69.03424	0.3
71.04988	0.3
79.05500	1.9
80.05828	0.4
81.03053	0.2
81.03426	2.6
81.07068	1.3
81.22842	0.3
82.03732	0.4
83.01328	0.3
83.04967	0.6
83.08608	1.2
85.02890	1.1
91.05490	3.5
92.05811	0.7
93.07059	1.7
95.04969	1.9
95.08578	0.6
96.05322	0.3
97.02886	0.3
97.06487	0.4
97.10143	0.3
102.04688	0.5
102.44837	0.3
103.05470	3.2
105.07043	1.3
106.07347	0.3
107.04957	1.2
107.08617	0.6
108.08927	0.3
109.06528	0.5
111.04388	0.4
111.08073	0.5
112.08463	0.3
115.05476	0.4
117.03365	0.6
117.06989	0.6
118.04169	2.0
119.04943	0.5
119.08578	1.1
120.05650	0.3
121.06495	1.8
121.10130	0.7
123.04468	0.5
124.33659	0.3
128.38084	0.3
129.06992	0.6
130.04128	1.2
131.04932	4.5
131.08580	0.4
132.05759	2.0
133.02814	0.5
133.06509	0.6
133.10132	0.4
134.03676	0.4
135.04414	0.7
135.08038	0.3
135.11644	0.5
137.02283	0.4
140.04721	1.9
145.02783	0.3
145.06418	0.3
146.03661	2.5
146.10442	0.3
147.04388	1.1
147.11678	0.3
148.05211	1.3
149.05965	1.1
151.03851	0.3
153.01846	6.5
153.05455	0.8
154.06207	0.4
155.07109	0.4
157.10233	0.3
159.04398	0.4
160.05229	1.3
161.05997	1.2
162.03111	1.2
163.03899	0.4
163.11180	0.7
164.11562	0.4
166.06279	0.8
167.07083	1.7
173.05946	0.8
175.11282	0.4
176.04698	2.4
177.05489	2.6
178.06274	3.9
180.07841	0.3
181.08664	0.4
191.07047	4.6
192.07864	1.3
193.05003	0.4
193.12263	1.2
194.12555	0.8
203.03415	5.9
211.13307	1.2
212.13623	0.8
213.05495	0.6
229.04977	5.8
241.04962	1.5
242.05763	12.1
253.04939	2.2
255.06500	0.4
257.04480	59.5
258.05258	18.7
267.09152	0.3
269.04526	2.2
270.05215	2.5
271.05975	2.3
273.74213	0.3
280.11252	0.3
283.05991	0.8
285.03976	8.0
286.04752	29.8
287.05518	20.5
288.05954	0.4
297.03967	4.5
299.05530	2.2
300.06284	1.3
307.06284	0.4
323.05664	0.6
327.04977	2.6
341.06601	2.4
359.09143	0.3
373.07007	0.4
387.08896	0.3
388.09500	0.6
391.08173	0.6
416.08917	0.8
419.07504	0.8
433.09418	0.5
444.08328	0.3
445.09039	0.7
447.07257	1.6
461.08887	0.7
462.09479	1.1
465.11911	3.4
477.11859	17.2
494.28345	1.0
495.12921	100.0
496.13364	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	495.1291
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
53.03849	0.6
53.04070	0.9
55.05362	2.4
55.05666	2.8
56.96681	0.7
57.03302	2.0
57.03610	2.0
67.05334	5.4
67.05741	3.2
68.54260	0.6
69.06900	1.9
69.07309	1.3
71.04823	2.5
71.05251	1.6
72.08611	0.6
77.12441	0.6
78.04568	0.7
79.05305	10.1
79.05823	3.9
81.03229	2.9
81.03735	1.0
81.06866	5.7
81.07415	2.8
83.04790	2.1
83.08435	1.8
83.08941	1.2
85.02757	1.5
85.03195	0.8
85.06389	1.3
91.05274	5.4
91.05906	1.6
93.06846	8.6
93.07507	2.2
95.04762	6.0
95.05443	1.6
95.08401	3.6
95.09061	1.2
97.06316	3.2
97.06989	1.5
97.09953	2.5
97.87865	0.8
99.10712	0.6
105.06821	4.0
105.07594	1.3
107.04740	8.7
107.05555	2.1
107.08374	5.5
107.09169	1.6
109.06297	15.3
109.07130	2.8
109.09978	1.5
109.10610	0.8
111.04304	0.8
111.07876	0.6
117.06816	2.1
119.08349	2.5
121.06269	6.4
121.09919	5.1
123.04259	1.5
123.07846	2.5
123.08647	1.1
123.11542	1.0
125.09396	2.5
129.06825	1.5
131.04727	1.9
131.05592	0.7
131.08331	5.3
131.09401	1.1
133.09952	1.6
135.07813	4.9
135.11482	1.0
139.10936	2.7
140.04552	1.0
145.06299	0.8
145.09869	2.8
147.04227	1.2
147.07899	1.5
149.09409	1.8
153.01581	20.9
153.08879	0.8
155.08302	1.2
157.09940	0.9
159.04228	0.8
159.11530	0.9
163.03740	1.5
163.11002	1.5
167.06795	7.7
167.08305	1.0
171.07870	0.8
172.85399	0.7
173.09413	0.8
173.13049	1.8
175.11011	1.2
177.12656	0.8
179.03223	0.8
181.06337	0.6
183.11476	0.9
185.11475	2.3
189.11191	1.3
191.14041	4.3
193.12094	0.9
201.12601	1.4
202.70526	0.7
203.03156	1.7
205.04669	0.9
207.07903	0.9
211.07324	1.3
212.04395	0.7
219.13817	14.1
222.06506	0.7
223.07388	0.8
223.13208	1.2
229.04749	1.9
233.15231	1.6
235.07320	2.4
236.08101	1.7
237.05211	1.8
237.14603	0.8
239.06955	0.8
241.04726	0.6
242.05627	1.3
257.04529	7.8
258.05283	6.7
259.15479	8.8
265.04990	3.4
269.04266	1.6
271.05814	2.0
272.06775	1.0
275.16281	1.0
279.06467	0.8
280.07108	1.0
283.05878	1.0
285.03769	0.9
286.04739	8.1
287.05496	3.6
293.04364	1.6
293.07480	0.7
293.17508	7.0
295.05893	2.0
297.04041	3.1
298.04587	1.2
299.05322	2.5
300.06091	1.9
301.03317	1.2
310.04443	1.1
311.05527	18.7
323.05588	3.6
335.09155	4.0
336.05966	0.8
345.07523	2.5
347.08932	1.7
349.21481	1.7
359.04974	1.0
359.09143	14.5
361.06964	3.4
363.04349	1.4
363.08658	23.0
367.22729	3.3
371.08994	2.7
372.09665	1.4
373.07016	3.1
374.07736	1.0
375.08456	3.7
385.23782	3.5
387.08673	12.7
388.09409	7.8
389.06253	1.6
391.08228	11.9
398.07843	1.2
401.06418	2.1
402.07132	1.8
403.08310	3.1
403.24634	3.5
404.08734	1.3
406.06244	0.7
407.07474	2.0
415.08075	2.7
416.09079	4.3
417.09781	2.2
419.07568	10.5
427.07959	0.8
431.07626	8.0
432.08545	3.9
433.09348	7.2
434.05789	0.9
435.07205	1.9
443.07913	1.3
444.08527	6.8
445.09442	3.7
446.09940	1.0
447.07169	34.5
449.08786	2.5
450.09598	3.5
459.27411	2.0
461.08636	8.4
462.09445	9.5
465.11905	34.9
466.96985	0.7
477.11853	100.0
477.27591	5.0
478.12091	2.3
495.12924	99.0
496.13306	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1291
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
51.48634	0.1
52.24701	0.1
53.79321	0.1
55.05508	0.3
56.96553	0.3
59.66829	0.1
67.01867	0.8
67.05515	0.3
68.99785	0.7
69.03458	0.2
69.43634	1.2
78.31915	0.2
78.47696	0.2
79.05489	0.2
79.76124	0.2
81.03407	0.2
81.07082	0.3
85.02876	0.2
91.05463	0.2
93.07044	0.4
95.04932	0.2
95.08614	0.2
97.06532	0.2
98.30466	0.2
98.97576	0.4
105.07016	0.2
107.04984	0.3
109.06494	0.2
109.10199	0.2
119.08599	0.2
123.04417	0.4
133.02829	0.2
137.02327	0.6
140.04672	0.7
147.04413	0.2
151.03879	0.2
153.01851	1.0
155.07019	0.6
163.03868	0.3
166.06239	0.3
167.07059	0.6
177.05531	0.2
185.05989	0.2
197.05907	0.2
201.05461	0.2
203.03398	2.2
207.04247	0.2
213.05418	0.4
219.13860	0.2
219.45354	0.2
229.04913	0.4
237.05453	2.7
241.04990	0.9
242.05753	0.7
243.06523	1.5
255.06479	1.9
257.04422	0.7
258.05283	1.9
259.09879	0.2
259.15222	0.2
265.04993	3.0
269.04459	1.2
271.06036	0.5
272.07068	0.2
282.05432	0.2
283.06027	1.3
285.03955	0.2
286.04736	1.9
287.05530	4.3
289.11047	0.2
293.04453	0.5
294.05243	0.2
297.04010	0.4
299.05466	1.0
301.03378	0.3
310.04648	0.4
311.05502	100.0
312.05890	1.9
313.03513	1.1
315.35748	0.2
323.05539	1.8
341.06592	1.0
373.07208	0.3
389.06488	0.4
390.07370	0.6
407.07535	0.3
418.06848	0.8
421.09241	0.3
433.09250	0.4
451.10269	5.0
467.09552	0.2
495.09219	4.4
495.18018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1292
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
51.16109	0.3
52.35134	0.2
53.03934	0.7
55.05514	1.7
57.03443	1.4
65.03909	0.3
65.80209	0.2
67.05175	0.2
67.05509	3.3
68.99796	0.5
69.03430	0.5
69.07076	1.2
69.41422	0.5
69.41837	1.7
71.04981	1.0
73.51059	0.3
77.03938	0.3
79.05075	0.3
79.05502	4.5
81.03445	1.4
81.06631	0.3
81.07062	3.0
83.04963	1.1
83.08596	1.0
85.02885	0.6
85.06581	0.2
91.05494	3.6
93.06557	0.3
93.07056	3.6
93.27502	0.3
95.04980	2.7
95.08639	1.7
97.06499	1.1
97.10205	1.3
100.85558	0.3
102.04662	0.5
103.05478	3.4
104.06273	0.3
105.04498	0.3
105.07040	2.0
107.04968	3.6
107.08614	2.3
109.06528	6.1
109.10150	0.7
111.04420	0.5
111.08053	0.4
115.05410	0.5
117.03331	0.4
117.07011	0.9
118.04160	1.2
119.04939	0.4
119.08584	1.3
121.06509	4.1
121.10159	2.0
123.04424	0.8
123.08053	0.5
123.65192	0.3
125.05993	0.4
125.09691	1.3
129.07024	0.5
130.04132	1.0
131.04944	3.9
131.08582	2.0
132.05745	1.7
133.02849	0.4
133.06476	0.8
133.10144	0.7
135.04417	0.9
135.08052	2.1
135.11717	0.3
136.85866	0.3
139.11179	0.9
140.04674	1.6
141.07042	0.3
143.08566	0.5
145.06508	0.7
145.10089	0.7
146.03625	2.5
147.04424	1.1
147.08029	0.6
147.11722	0.3
148.05151	0.9
149.06010	1.2
149.09595	0.7
151.03893	0.4
153.01836	6.1
153.05482	1.0
154.06262	0.3
155.08522	0.5
159.04399	0.6
159.08156	0.3
159.11650	0.5
160.05203	1.0
161.02376	0.5
161.05981	1.1
161.09583	0.3
162.03116	1.0
163.03995	1.3
163.07436	0.3
163.11176	0.6
166.06248	0.8
167.07089	1.7
168.07765	0.2
171.10272	0.3
171.11743	0.2
173.05945	0.6
173.13246	0.6
175.11259	0.3
176.04729	2.4
177.05518	2.4
178.06259	3.1
179.07098	0.4
182.09277	0.3
185.11765	0.4
189.11215	0.4
191.07051	3.6
191.14311	1.6
191.77679	0.2
192.07799	1.3
193.12277	0.5
201.12740	0.3
203.03413	5.4
209.11678	0.3
211.13115	0.3
213.05473	0.6
219.13802	4.7
223.13179	0.4
227.12680	0.4
229.04977	6.5
237.14876	0.3
241.04932	1.0
242.05760	9.8
253.04971	1.9
255.06609	0.4
257.04480	58.0
258.05252	15.3
259.09726	0.6
259.15445	3.4
267.16110	0.4
269.04584	1.7
270.05234	1.8
271.05954	2.0
273.14709	0.4
283.05899	0.5
285.03976	7.5
286.04749	26.7
287.05518	17.7
293.17587	3.3
297.03992	4.2
299.05594	1.9
300.06418	0.8
301.07193	0.4
304.84705	0.3
311.05511	0.7
327.05029	2.6
341.06760	2.3
343.09692	0.3
349.21631	0.5
352.22098	0.5
359.09283	0.5
360.10153	0.3
367.22736	1.3
373.07269	0.4
385.24054	1.6
387.08792	0.4
388.09592	0.4
402.07434	0.3
403.24731	1.3
416.09070	0.5
419.07559	1.0
433.09470	0.6
444.08588	0.3
445.09125	0.4
447.07196	1.2
451.25406	0.7
459.27289	0.5
461.08951	0.6
462.09555	0.7
465.11948	3.5
477.11844	13.0
477.28326	2.9
495.12909	100.0
495.27875	6.7
496.13385	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	495.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05512	1.5
56.96573	1.8
57.03429	1.7
60.04539	1.4
67.05505	2.9
69.03439	1.6
69.07089	1.8
69.17010	0.7
70.06593	1.2
71.04997	1.0
71.55109	0.8
79.05505	2.8
81.03428	1.8
81.07072	2.1
84.96085	0.7
85.02929	2.0
85.06541	0.9
86.09711	30.6
88.04007	2.5
91.05485	1.7
93.07059	3.3
95.04982	1.7
95.08626	1.1
97.02890	1.0
97.06535	3.6
98.97578	3.9
99.04485	1.2
103.04005	0.9
103.05504	1.0
105.07053	1.8
107.04984	1.4
107.08604	2.7
109.02909	1.3
109.06538	2.1
109.10151	2.3
110.97607	1.1
111.04444	0.9
115.05061	0.8
116.98685	1.3
117.07137	0.8
119.08593	1.3
120.08115	11.1
120.08908	0.8
121.06516	1.5
121.10120	1.3
123.11750	1.0
125.68951	0.7
127.03925	1.5
128.33743	0.7
130.05051	1.7
131.08617	1.3
133.06561	0.7
133.10175	1.2
135.04437	0.9
135.08104	0.7
135.11697	1.1
137.02328	1.2
137.06023	0.8
141.83165	0.6
147.04446	1.2
147.09196	1.7
149.13347	0.8
151.03996	1.1
153.01874	3.0
157.06105	1.0
159.09227	0.9
163.03926	3.0
167.07098	2.5
173.02380	0.9
173.13165	1.2
175.07228	1.9
175.08864	0.7
180.10191	7.8
185.05664	1.7
191.08195	4.9
191.14415	0.7
192.08571	2.9
197.13281	0.8
203.06717	1.5
211.17009	2.6
212.17357	2.9
215.07202	0.8
217.08257	0.9
219.13762	0.9
229.05052	1.1
229.12086	0.7
237.02913	1.4
242.05727	0.8
247.13058	7.6
257.04611	2.1
258.05359	1.4
259.09796	1.9
259.15536	0.7
270.14499	0.8
275.12558	5.7
282.64651	0.8
286.04855	2.2
287.05627	1.6
289.11411	0.8
293.18597	3.0
298.14111	3.0
307.12708	2.3
308.13400	2.8
311.05499	7.8
363.08624	1.5
390.17462	0.9
391.17181	3.4
409.18817	13.1
451.10123	2.2
451.19440	48.1
452.18796	2.4
465.11850	1.1
473.16492	0.8
477.11707	5.1
477.28531	1.2
495.18478	100.0
496.18817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.05516	25.2
56.96578	1.1
57.03440	15.6
59.05006	1.6
65.03943	3.3
66.79097	0.6
67.05510	42.1
69.03440	6.5
69.07076	10.9
69.17357	2.2
69.17780	3.5
71.01371	0.9
71.05000	8.7
77.03969	1.1
79.05499	42.8
80.05828	0.7
81.03424	100.0
81.07063	50.7
81.07430	0.9
81.50123	0.6
82.03782	0.7
82.07388	1.0
83.04481	1.1
83.04985	22.1
83.08626	33.7
85.02912	52.8
85.06554	3.7
86.15477	0.5
87.04490	0.7
91.05487	58.0
93.03388	0.5
93.07052	32.9
95.04976	42.7
95.08614	16.0
97.02895	4.3
97.06541	8.0
97.10172	5.8
99.04464	1.2
99.08085	1.9
103.05480	1.2
105.04517	1.6
105.07039	39.0
106.07358	0.8
107.04968	9.1
107.08601	14.0
109.06530	7.4
109.10191	5.4
109.36168	0.6
111.04467	5.3
111.08083	16.6
113.06017	4.4
115.05486	2.3
117.07019	4.1
119.04965	1.7
119.08588	29.8
121.06530	2.6
121.10155	14.9
123.08070	4.2
123.11717	3.4
125.06033	0.9
125.09609	3.4
127.07536	0.7
128.06216	1.6
129.07011	16.9
131.08577	17.9
131.09517	1.1
133.06506	4.2
133.10138	14.4
135.08060	1.5
135.11668	1.4
137.05988	0.7
137.09647	3.2
140.58575	0.6
141.07034	0.8
142.07814	5.0
145.06577	0.6
145.10144	4.1
147.08047	4.5
147.11700	20.8
149.09610	9.3
151.11183	1.0
153.09138	0.7
155.08653	0.9
157.10141	21.1
163.03902	0.6
163.11209	1.7
165.12744	4.5
167.03441	1.5
171.11658	1.0
175.11200	23.9
175.12738	1.2
189.11235	1.8
193.12256	88.6
194.12587	1.2
209.11771	0.9
211.13309	98.4
212.13716	1.7
227.12759	0.8
257.04477	1.0
258.05252	0.7
267.15915	7.2
285.17026	3.5
286.04773	0.7
289.11252	0.9
359.22202	1.2
367.22971	1.5
375.12296	0.8
385.23749	2.1
403.24585	0.9
449.28403	0.8
452.39844	0.6
454.35947	0.5
459.27448	2.4
477.28268	5.1
495.29587	69.8
496.29324	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	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	17.4
55.01868	9.6
55.05516	42.6
56.96572	24.8
57.03444	31.0
60.96859	4.9
61.02943	33.7
67.05173	7.5
67.05511	99.4
69.03435	33.7
69.07069	35.5
71.01327	7.0
71.04992	16.6
71.54974	9.4
73.02907	19.7
79.05495	93.3
81.03429	79.7
81.07058	94.2
83.04990	26.1
83.08617	35.7
85.02906	62.5
85.06534	6.0
88.56495	4.7
91.03951	21.6
91.05487	100.0
93.07062	80.0
95.04987	43.0
95.08612	45.7
97.02890	40.3
97.06530	23.3
97.10192	15.8
98.97572	13.2
99.04465	14.7
103.03949	6.1
105.07053	60.3
107.04949	22.1
107.08602	47.7
109.06519	24.0
109.10158	22.1
111.04489	11.5
111.08089	11.1
115.05495	5.9
117.07031	28.3
119.08595	48.7
121.06504	6.4
121.10156	32.6
123.08053	9.7
123.11703	6.9
125.05997	6.3
125.09687	10.5
127.03912	13.8
129.07010	23.2
131.08557	48.5
133.06476	11.6
133.10152	39.6
135.08034	8.6
135.11690	20.7
137.09613	9.3
141.07042	7.3
143.08505	13.1
145.06560	6.8
145.10136	30.1
147.04410	5.7
147.08122	7.0
147.11708	36.3
149.09628	14.3
149.13280	15.7
157.10181	29.3
159.11702	22.5
161.09724	6.1
163.11182	15.5
167.03398	5.6
169.10115	8.5
171.03236	7.0
171.11656	13.0
173.09607	11.7
173.13231	14.7
175.11177	12.5
181.12263	7.3
183.11737	6.3
185.13297	15.4
191.14429	5.9
193.12219	44.0
195.11653	6.5
197.13329	9.8
206.53755	4.9
207.63104	5.0
209.11668	9.8
209.13393	5.6
211.13286	54.3
217.07484	7.7
219.13704	8.6
259.15308	7.2
259.20517	7.2
267.09149	34.1
267.15897	10.2
269.10568	9.4
278.14923	6.2
283.15488	8.8
285.10056	29.6
301.21597	6.6
316.11847	8.7
317.12646	8.1
331.15750	11.9
333.24313	20.7
336.13391	9.0
339.04675	7.8
349.16779	20.3
355.21960	5.6
367.17859	9.9
367.22675	9.9
375.25009	7.8
385.23795	10.5
403.24759	10.5
441.26163	15.4
459.27289	21.8
477.28436	26.7
495.16940	9.0
495.29764	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.4
55.01356	2.3
55.01877	7.2
55.05260	1.7
55.05518	27.0
57.03178	1.7
57.03444	17.2
57.07080	1.5
59.05011	1.9
61.02930	1.4
63.21027	1.0
65.03948	3.3
67.05511	45.1
68.06986	1.1
69.03445	6.0
69.07079	10.5
69.60926	7.1
70.85136	1.1
71.05000	11.3
72.54597	1.0
77.03944	1.1
78.20412	0.9
79.05501	50.2
81.03426	94.5
81.07065	52.5
81.18121	1.2
82.03786	1.8
82.07346	1.2
83.04989	19.6
83.08630	34.6
84.36823	1.3
85.02912	52.7
85.06560	3.8
85.36478	1.1
87.04494	1.1
91.05491	58.8
92.05836	1.9
93.07052	35.6
95.04980	45.1
95.08610	17.5
97.02917	5.0
97.06538	6.8
97.10168	6.3
99.08090	2.0
103.05463	1.0
105.07043	44.8
107.04981	10.9
107.08603	14.0
109.06517	8.0
109.10177	6.9
111.04459	4.6
111.08100	17.0
112.45831	1.3
113.06046	5.9
115.05499	4.2
117.07050	5.1
119.08590	32.1
121.06559	3.4
121.10162	18.3
123.08068	6.3
123.11733	3.3
123.86179	1.1
125.09698	3.0
127.07562	1.1
128.06248	2.4
129.07025	17.9
131.08583	20.3
133.06532	3.3
133.10138	16.4
135.08124	2.2
135.11688	2.8
137.05954	1.4
137.09639	2.3
142.07831	5.1
145.10153	4.2
147.08067	4.1
147.11703	20.3
149.09625	8.0
149.13338	1.1
153.01886	2.0
157.10143	19.1
163.03864	1.8
163.11258	2.4
165.12720	5.5
170.61887	1.2
171.03453	1.3
175.11200	24.1
189.11330	1.5
193.12262	89.9
194.12633	1.7
209.11934	1.3
211.13316	100.0
212.13768	2.1
242.05782	2.0
243.06224	2.7
244.06395	1.5
257.04440	5.4
258.05081	4.7
259.05237	3.8
260.05872	1.4
267.15942	10.6
285.16940	6.0
286.04788	3.7
287.05103	2.9
288.05377	2.3
298.04568	1.5
299.04907	1.7
318.54230	1.1
346.07391	1.1
363.08228	2.0
367.22333	1.4
375.07895	2.6
385.23755	1.5
391.07416	3.1
392.07907	1.4
393.09137	2.5
403.07355	1.7
419.07092	1.4
420.07697	4.1
421.08145	6.1
435.09671	2.0
448.07080	4.1
459.27740	4.1
463.09390	5.2
477.28745	4.8
495.04483	2.3
495.11987	61.1
495.29688	69.5
496.12299	1.5
496.30048	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	496.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.6
56.43939	0.1
57.03438	0.2
57.07077	0.7
58.06642	0.4
59.07422	0.1
60.08170	6.2
67.05513	0.2
69.07075	0.2
69.97144	0.2
69.97545	0.4
70.06606	0.2
71.07382	3.0
71.08645	0.3
79.05454	0.1
81.07069	0.4
83.08641	0.2
85.10188	0.3
86.09716	30.5
87.10040	0.2
95.08621	0.4
97.10217	0.2
98.98473	3.0
104.10764	2.9
109.10157	0.1
123.11694	0.1
125.00019	21.4
140.23532	0.1
143.01097	0.1
184.07359	100.0
185.07747	0.7
258.11105	0.2
313.27335	0.2
349.63040	0.1
420.35733	0.1
439.59338	0.1
478.32941	1.1
490.79868	0.1
496.34027	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05505	0.6
56.05040	1.1
57.07078	2.9
58.06609	1.2
60.08168	17.6
67.05503	1.1
67.43090	0.5
69.53584	1.0
69.53994	2.4
71.07378	7.5
71.08627	1.5
77.67094	0.5
81.07065	0.7
85.10184	0.9
86.09710	50.3
89.85380	0.5
95.08617	1.2
98.98470	4.7
104.10751	100.0
107.68695	0.6
109.75099	0.5
125.00011	28.7
149.43405	0.5
155.07184	0.5
184.07350	90.8
185.07816	0.7
229.01880	0.4
235.60294	0.5
258.11127	1.0
313.27344	2.0
478.26257	0.7
478.32986	9.5
496.34009	32.5
497.34518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	10.1
70.06592	2.9
71.55204	1.5
84.96055	5.6
85.02905	2.3
90.41171	0.9
98.97597	37.1
110.97585	9.5
116.98632	14.9
124.99146	2.4
128.98611	7.9
131.00093	1.5
134.99686	2.5
140.98639	3.0
143.00204	6.3
144.98097	2.7
145.04907	1.2
146.99695	2.7
152.98599	4.3
158.99661	8.4
161.01251	5.3
162.99170	2.2
166.78210	0.9
170.99707	6.3
173.01326	1.4
173.04756	1.0
177.00751	7.7
189.00624	1.4
191.06068	1.2
201.00807	4.2
219.01788	20.4
219.03900	1.1
237.02844	20.8
252.97992	1.1
255.04008	1.3
261.02823	1.2
275.08044	8.1
293.09091	38.9
296.88577	1.0
311.10153	2.4
323.05368	1.3
335.10202	1.7
377.11200	2.0
437.13364	100.0
438.14035	1.8
440.63535	1.0
455.14508	4.6
497.12335	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	497.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09824	0.5
55.05493	0.6
67.05524	0.7
69.03448	3.8
70.06609	1.3
71.55037	0.5
75.49424	0.5
76.09793	0.5
79.05489	0.7
81.07064	1.3
83.08601	0.6
84.08135	0.7
84.68388	0.5
85.02914	1.2
85.06543	1.3
91.05476	1.6
93.07067	1.0
95.04955	0.5
95.08616	0.7
97.02892	0.8
101.00901	2.0
102.09177	0.6
105.07056	1.6
107.08607	7.6
109.10184	1.3
119.01943	2.5
119.08615	1.2
121.10214	1.1
125.17616	0.5
131.08618	1.2
133.10207	0.6
142.08665	2.5
143.01924	1.5
144.10228	1.8
145.03513	1.1
145.10107	1.0
147.04477	0.9
157.03465	1.1
159.05025	0.7
161.02965	1.6
173.13321	1.0
185.06641	2.6
191.14389	0.9
203.05295	2.0
207.08659	0.7
223.11929	0.7
227.05318	1.0
231.13570	2.9
233.10280	6.7
245.06361	6.1
249.14676	1.2
251.11372	2.6
267.14499	1.0
271.04367	1.4
275.11331	0.8
282.18143	0.7
287.03836	0.6
289.05328	23.7
291.14432	15.2
303.14429	1.0
305.16049	2.6
309.15500	1.1
333.15442	2.1
343.09851	1.0
345.15256	0.7
358.12253	0.7
395.16788	1.5
411.20078	2.8
435.20032	4.6
453.21057	16.1
461.18008	2.9
479.18933	23.5
480.19269	0.8
497.20004	100.0
498.20407	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	497.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
56.96558	7.8
67.05504	2.4
69.03429	2.5
69.07062	2.8
70.06594	2.2
70.14308	4.5
79.05488	2.9
81.03434	2.8
81.07045	3.2
83.04990	2.2
84.96030	2.6
85.02898	1.7
86.26963	1.1
86.78304	1.0
91.05493	2.4
93.07025	5.1
95.04967	1.7
95.08607	4.0
97.06524	3.3
97.96781	2.4
98.21487	1.3
98.97593	49.4
105.07040	3.5
107.08582	4.8
109.06498	1.9
109.10165	3.6
110.97594	1.9
112.99149	5.2
113.74801	1.0
115.97880	1.5
116.98636	14.5
119.08595	4.4
121.10149	4.2
123.08101	1.9
127.03900	1.1
128.98616	2.3
131.00189	4.7
131.08563	1.4
133.10133	3.5
134.99683	3.5
135.11719	2.5
137.05994	1.2
137.09625	2.6
145.02834	1.2
149.01192	1.3
158.99689	9.0
161.13289	1.6
163.03893	5.3
167.46635	1.2
170.99757	1.1
173.01262	4.8
175.14803	1.5
177.00716	3.5
179.06883	1.4
179.14319	3.8
184.97818	1.4
191.02315	3.6
193.15942	1.5
200.14215	1.0
201.00630	1.3
203.05281	3.0
219.01707	2.6
219.13606	1.8
229.05031	1.1
237.02811	1.2
244.99702	2.0
245.06381	7.2
249.14613	5.2
257.04489	2.0
289.05319	27.1
291.12531	7.4
309.13721	24.5
323.15326	1.8
327.14789	4.2
332.15381	1.3
333.13916	2.4
351.14941	7.3
381.18738	1.3
411.16498	15.9
423.20111	6.3
429.17859	1.3
453.21933	15.7
464.47461	1.4
467.18991	17.2
479.18658	2.0
497.19974	100.0
498.20145	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	497.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05854	0.8
70.98919	1.2
70.99261	1.1
79.05517	1.3
91.05493	2.0
93.07069	1.1
95.04973	1.7
95.08594	1.1
105.07034	2.0
107.08578	5.3
109.10130	1.4
119.08591	1.2
121.10171	3.1
122.28786	1.0
123.11680	1.0
131.08617	1.2
133.10158	1.7
135.08081	2.9
135.11655	1.4
147.11778	0.9
149.13254	1.2
173.13324	2.0
203.05321	1.4
211.99658	0.8
219.79109	1.0
227.05316	1.7
231.13710	2.4
245.06354	5.7
249.14642	3.5
271.04282	1.7
287.03906	3.0
288.87311	0.9
289.05334	54.0
291.14487	2.7
309.15512	2.1
393.17786	1.0
411.19739	5.0
423.12494	4.1
435.20044	1.6
453.20996	20.0
454.21579	1.2
479.18945	7.5
497.20004	100.0
498.20422	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	498.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62930	0.9
51.28289	1.0
51.56522	0.8
55.05503	2.2
57.07082	33.1
58.25444	0.9
60.04536	1.1
67.05467	1.3
69.07056	1.6
71.08639	29.3
71.54958	1.2
71.55344	1.0
73.06568	6.1
83.08605	2.8
85.10188	22.4
87.04458	3.6
88.03976	4.1
89.06039	100.0
97.10167	3.5
98.98476	1.9
99.11743	3.3
106.05019	2.1
107.07088	2.0
113.13268	1.7
117.09106	3.5
119.08529	1.1
122.50616	1.0
130.08607	2.3
131.07060	1.7
133.08620	48.2
151.09747	0.9
155.01045	1.1
155.17918	5.1
161.11771	1.1
163.07452	1.0
177.11217	18.1
195.12259	1.5
199.20564	2.7
221.13870	3.1
239.14896	2.1
240.23268	0.9
243.23251	8.9
283.17471	2.5
287.25763	6.7
313.27380	7.0
327.20181	8.7
481.37448	12.0
498.27444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22016	1.7
56.96560	2.6
69.03433	2.1
70.50734	1.5
71.54493	1.8
74.77882	1.7
75.37329	1.8
82.99856	2.8
84.95992	1.6
85.25787	1.5
97.02844	2.1
98.97593	12.4
101.00884	24.7
103.02430	4.5
110.97573	6.3
113.00858	9.6
116.98651	2.5
119.01927	21.9
121.03459	2.1
127.02418	17.0
127.03860	1.8
128.98613	4.7
131.01921	18.1
137.00819	2.3
137.02954	2.3
139.02432	3.8
143.00206	2.1
143.01913	29.0
145.03479	48.4
147.01357	4.0
155.01904	37.8
156.98068	3.8
157.03464	17.1
158.99731	3.0
161.02953	20.5
163.04561	3.0
167.01921	13.7
169.03485	4.5
170.99695	4.5
171.01378	9.6
171.05052	3.0
173.02979	45.6
174.03036	1.7
174.99152	9.4
175.04507	3.3
179.01909	7.5
181.03531	2.2
182.99725	3.4
185.02983	53.2
187.04547	4.4
189.00803	3.3
189.02441	9.6
191.03993	3.2
193.00165	8.1
197.02977	18.3
199.00943	8.7
199.04489	2.8
201.00684	8.3
201.02449	2.9
203.04002	15.0
209.02867	2.5
215.04010	10.4
217.00192	4.7
217.01968	60.5
217.03990	3.8
219.01778	6.2
221.05058	4.8
227.04030	15.0
229.01988	11.8
232.04637	2.0
235.03035	14.6
237.02650	2.0
243.01700	3.0
245.05092	100.0
246.05257	3.8
247.02971	14.2
257.05066	14.4
261.02826	10.2
263.06186	11.9
265.91965	1.5
275.06137	15.0
277.04065	21.5
279.03763	4.3
291.09702	1.9
293.07248	3.7
297.56268	1.7
301.04111	11.4
305.07156	8.2
317.07413	1.9
319.05313	24.6
321.05002	6.9
327.57315	2.3
335.08423	3.5
337.06296	30.6
365.09268	8.6
481.09335	2.5
499.11182	29.3
500.11475	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	499.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
61.44247	0.6
67.05498	1.7
69.03445	1.2
69.07064	0.8
70.06577	0.6
70.16165	0.6
71.28348	1.1
79.05504	0.6
81.03437	0.9
81.07059	1.8
85.02915	1.8
87.00842	0.5
87.98200	0.6
93.07048	1.6
95.08635	1.3
95.54703	0.5
97.02864	1.1
97.06526	0.9
99.04507	0.6
105.01878	0.7
105.05526	0.6
105.06998	0.7
107.08588	1.2
109.02924	0.7
109.06496	0.6
109.10179	2.7
111.08076	0.9
119.08595	0.8
121.10148	0.8
126.08304	0.5
127.03936	1.9
129.12773	1.2
163.03951	1.7
203.05095	0.6
210.15637	0.5
213.09799	1.6
227.05263	0.6
233.15163	2.0
244.52287	0.6
245.06354	3.4
251.10684	0.6
251.16277	7.6
259.09747	0.7
271.04266	1.0
275.15207	0.6
289.05328	4.6
293.16071	5.9
305.16104	0.6
307.17639	0.6
311.17041	1.4
323.17026	0.6
335.16821	0.7
353.18011	0.7
395.20627	1.0
413.21558	8.2
427.17154	0.6
437.21552	1.3
455.22607	22.5
481.20712	0.9
499.21555	100.0
500.21893	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	499.2907
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
53.03946	2.8
54.37307	2.5
54.67380	2.1
55.01880	5.5
55.05513	9.0
56.96557	5.3
57.03427	8.1
61.02926	8.0
67.05516	13.2
69.03435	35.4
69.07080	11.0
70.06591	4.1
70.20332	4.3
70.20747	7.3
71.04998	5.7
73.02902	4.2
79.05496	17.8
81.03414	16.3
81.07057	28.7
83.04984	9.2
83.08614	4.3
85.02912	100.0
85.74454	2.6
87.04462	5.4
89.03941	2.3
91.03954	7.6
91.05479	14.2
93.07053	24.1
94.75101	2.7
95.04968	11.3
95.08616	27.4
97.02901	32.3
97.06515	18.3
97.10191	3.4
98.97639	2.7
99.04446	7.0
100.11230	2.5
105.07042	30.2
107.04949	5.8
107.08595	41.8
109.02863	12.7
109.06524	6.0
109.10161	18.7
111.08101	3.5
115.05461	3.2
117.07029	4.0
119.08592	23.6
121.06506	4.4
121.10146	35.8
123.08067	8.9
123.11706	6.7
127.03922	23.5
131.08543	9.2
133.10129	9.9
135.04442	2.5
135.08063	68.2
135.09106	3.3
135.11676	12.9
137.09605	20.6
137.13257	3.7
139.11176	5.6
143.08563	5.9
145.04993	13.8
145.06032	2.0
145.06453	1.9
145.10196	11.5
147.04425	2.5
147.11713	18.1
149.09630	37.9
149.13214	3.5
150.83636	2.6
151.11212	5.2
153.09077	3.8
153.12796	2.9
157.10152	3.5
159.11729	9.0
161.02283	2.7
161.09612	14.4
161.13316	10.7
163.03888	14.6
163.11197	6.8
164.17455	2.6
165.12808	3.2
167.07083	4.6
169.10168	4.4
171.11722	6.6
173.02403	3.3
173.13300	5.7
175.11270	11.5
179.14320	3.3
183.11652	3.2
185.13261	5.3
187.14894	3.3
189.12846	5.0
193.12244	3.8
197.13226	2.6
197.15233	2.8
198.13914	2.3
199.14841	3.8
201.16399	3.6
215.07054	8.8
227.14491	3.6
241.15955	2.8
241.19614	3.5
255.21107	2.9
259.09695	7.4
259.77115	2.4
265.19543	3.8
271.20593	8.1
283.20493	20.1
289.21713	3.5
301.21573	20.0
319.22656	38.1
325.14120	3.1
337.09473	4.1
337.23758	82.4
481.27988	8.6
499.21338	23.3
499.28970	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	500.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52415	3.1
52.68675	3.4
53.03953	6.5
55.05513	16.0
56.96555	4.8
57.03451	5.3
67.05482	8.4
69.03419	9.4
70.06604	100.0
71.54789	6.0
72.08165	17.9
79.05486	12.4
81.03430	96.8
81.07063	13.7
83.04998	3.7
83.08627	25.0
84.08149	18.6
85.02917	13.2
86.09715	11.6
91.05472	18.4
93.07060	7.4
95.04981	36.6
97.02907	11.9
97.06505	4.3
97.10217	4.1
98.97629	5.1
103.40463	3.5
105.07041	13.8
107.04960	10.4
107.08587	11.3
109.02905	6.4
109.06528	5.6
109.10206	4.3
111.08105	10.0
116.07064	3.7
119.08595	8.9
120.08063	3.6
121.06549	3.5
121.10146	9.4
123.04414	3.5
123.08103	3.7
127.03895	8.5
128.07108	5.8
128.85005	3.8
129.06972	8.5
129.10257	9.3
130.08662	7.5
131.08585	10.4
133.10130	16.7
137.09586	5.2
145.02890	4.8
147.11688	11.7
149.09573	7.7
149.13235	3.7
157.10117	10.6
158.99567	3.3
163.03885	7.6
173.13258	6.7
175.11230	14.4
193.12271	81.3
211.13301	6.9
232.62184	3.5
237.02754	3.6
239.59259	3.8
256.11899	5.5
267.15930	55.5
274.12924	15.2
285.16971	77.6
292.13864	8.3
293.12360	4.0
309.16855	10.0
458.40619	3.9
482.27267	4.9
500.28012	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	500.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.96563	1.5
57.07085	0.6
58.21009	0.5
61.19537	0.5
65.28937	0.6
67.05508	1.8
69.03439	1.3
69.07080	4.8
69.25728	3.8
69.26131	0.8
70.06596	2.1
71.04999	1.6
73.02928	1.2
79.05489	3.1
81.03424	1.0
81.07068	15.8
82.06599	8.2
83.08627	0.6
84.04498	1.2
84.08171	0.7
85.02904	1.9
86.09737	0.8
93.07057	1.1
95.04994	0.7
95.08634	3.9
96.08133	0.6
97.02897	0.8
97.06540	3.3
99.04502	0.7
100.07621	5.1
105.07047	1.2
107.08573	0.8
109.10197	1.3
111.04433	0.5
119.08604	0.8
121.10143	0.7
123.08121	0.8
127.03928	1.1
131.00122	0.7
131.08617	0.9
133.10181	0.6
137.13257	0.7
142.08655	100.0
147.11731	0.7
149.09691	0.8
163.04007	2.6
173.02406	1.0
179.10689	1.8
202.10797	5.5
215.07037	1.0
244.11929	0.7
259.09732	2.2
269.10565	0.6
304.13867	4.2
313.18997	0.7
326.15985	1.1
328.14105	1.4
346.15015	3.5
364.16068	49.1
423.30423	0.6
456.16025	0.7
457.20468	1.4
500.28937	1.1
501.19260	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
54.12929	0.9
55.05271	1.7
55.05515	23.8
57.03442	12.9
57.07082	13.4
58.08016	0.9
59.04992	3.7
61.12827	0.9
65.03928	2.1
67.05510	86.4
69.07075	26.7
71.04987	2.7
71.08636	6.3
71.15880	1.1
71.16208	1.6
79.05489	2.9
81.07063	15.3
83.08627	29.3
85.06532	1.9
85.10173	2.8
91.05482	6.0
93.07062	6.0
95.08632	7.4
97.06540	1.5
97.10178	15.2
107.08588	3.9
109.10165	78.7
111.08068	3.5
111.11697	5.0
119.08594	6.4
121.10196	2.2
122.27100	1.1
125.09528	1.1
125.13259	1.1
135.07498	0.9
137.09607	3.4
141.33020	1.0
155.10683	6.4
173.11758	25.4
202.93904	1.0
219.21136	1.3
229.14371	100.0
230.14656	1.7
283.26117	1.8
311.25827	77.5
311.73563	1.1
312.26126	2.0
457.43530	1.1
465.35809	68.4
466.36188	2.2
478.87384	1.0
500.46539	2.3
501.35577	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	501.2068
Annotation	Maculalactone F
Peak:m/z	Relative Intensity
55.05506	1.9
57.03428	1.4
67.05487	2.8
69.07069	1.9
70.21822	1.4
70.22170	3.9
71.08646	1.3
79.05490	2.4
81.03407	1.3
81.07040	3.8
81.14867	1.0
82.72906	1.1
91.05466	2.9
93.07031	1.7
95.08643	1.1
97.02878	1.2
99.08066	1.2
104.79394	1.0
105.07075	1.6
109.10168	1.7
109.67509	1.0
110.77998	1.0
116.10730	3.0
117.07047	1.0
119.08640	1.1
121.10189	1.0
125.92165	1.1
131.08562	1.3
179.08553	1.9
180.09186	1.0
181.06456	4.0
182.55353	0.9
190.07820	1.7
191.08517	1.7
194.07251	2.9
195.08041	3.9
196.16888	1.8
199.11256	1.0
202.07898	1.5
203.08624	1.7
205.06454	2.5
205.10132	3.9
206.07272	12.3
207.08046	4.0
208.08852	7.1
209.09598	4.0
214.18033	18.6
215.18362	8.7
218.07162	1.4
219.08052	8.0
221.09637	18.8
222.10342	1.1
223.11214	17.4
224.08273	2.2
225.09201	7.1
232.08820	1.3
233.09694	1.3
234.06732	6.7
235.07542	3.3
236.08327	11.4
237.09138	10.4
239.10619	2.2
247.07590	2.9
247.11147	2.2
248.08351	2.7
249.09085	20.3
250.09943	1.5
251.10692	100.0
252.11472	17.1
253.12199	2.3
260.08228	1.7
261.09201	2.4
265.12012	1.5
275.10641	4.2
276.11334	1.6
435.13544	1.8
438.12244	1.2
453.14401	5.9
454.15536	1.9
468.17215	5.8
469.17905	1.2
472.16895	1.1
473.17288	1.4
483.19669	9.3
501.20779	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75008	0.7
53.03939	0.9
55.01868	0.8
55.05495	2.7
56.96558	1.2
59.21466	0.5
64.65041	0.7
67.05511	3.4
68.31008	0.6
69.03429	1.3
69.07067	2.0
71.55759	0.8
71.56138	0.5
79.05513	4.0
81.03418	2.5
81.07043	2.6
83.04987	1.0
83.08632	0.9
85.02898	2.1
91.05479	5.2
93.07050	7.6
94.98530	0.6
95.04976	3.7
95.08613	3.5
97.02888	1.3
97.06554	4.4
97.10168	1.7
105.07012	2.7
106.86311	0.6
107.04953	1.4
107.08600	3.2
109.02891	1.2
109.06525	1.2
117.07006	1.9
119.04990	0.9
119.08575	6.4
121.06524	2.1
121.10191	0.6
123.04459	1.6
125.09637	0.8
127.03966	0.8
129.07021	2.4
131.08553	2.1
133.06488	2.0
133.10098	1.0
135.08047	1.6
141.06984	1.0
143.08578	1.4
145.06494	2.3
145.10115	2.2
147.04446	4.3
147.08064	29.8
153.06984	1.3
153.74519	0.6
155.08549	1.1
157.06581	0.8
157.10139	1.1
159.08073	2.6
159.43893	0.6
161.09660	4.4
167.08578	2.1
169.10146	0.8
171.08115	5.7
173.09639	7.0
179.08633	1.5
181.06433	1.2
181.10132	1.0
182.07306	1.2
183.08107	3.1
183.11635	0.9
185.09648	2.2
189.11301	0.6
192.09270	0.7
193.10127	2.2
195.08067	2.1
196.08871	2.2
197.09660	10.1
198.10410	7.9
199.07561	0.9
199.11194	0.7
207.11775	1.3
208.08861	0.9
209.09637	2.4
209.13087	0.6
210.10329	2.9
211.11192	12.2
212.11987	11.8
213.09116	0.8
223.11201	2.4
224.12021	5.2
225.12762	5.3
227.94351	0.6
233.90660	0.6
235.13280	1.0
237.12813	1.1
238.13519	2.5
239.02200	1.8
251.14438	1.3
253.15906	100.0
254.16217	1.1
257.03369	0.7
257.15396	0.9
259.09772	0.7
284.95276	0.6
295.16953	1.7
311.12796	0.7
327.15744	0.8
355.15482	1.9
373.17175	0.7
409.23721	2.9
423.07513	1.0
447.24890	0.8
483.27829	1.4
501.21161	3.4
501.28506	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	501.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
54.81285	2.3
55.01857	4.3
55.05270	4.6
55.05518	63.7
57.03445	35.6
57.06830	3.8
57.07083	55.9
67.05182	4.3
67.05511	65.4
69.07076	90.3
69.83921	10.0
69.84329	5.1
71.04996	3.4
71.08638	37.8
75.04468	9.3
79.05492	31.7
81.06594	5.1
81.07066	100.0
83.04966	6.2
83.08149	4.3
83.08627	72.7
85.06546	4.9
85.10192	14.8
91.05485	11.1
93.07053	47.3
93.07620	3.8
95.04935	3.5
95.08613	100.0
97.06535	17.0
97.10180	43.2
98.20695	2.4
99.08105	5.8
99.11774	2.5
105.07027	5.6
107.08595	31.9
109.10158	45.4
111.08118	14.0
111.11726	14.9
115.07586	3.7
117.07009	2.6
119.08561	6.4
121.10150	38.6
123.11741	14.7
125.09618	10.6
125.13252	3.4
129.09129	4.1
131.07062	6.9
131.08583	3.9
133.10158	3.1
135.11710	32.0
137.13269	11.8
139.11208	12.9
143.10669	4.5
149.13246	16.2
151.14806	5.7
153.12711	8.8
157.12199	4.2
163.14815	8.3
164.49315	2.7
167.14342	6.6
177.16408	6.4
181.15913	6.6
185.15401	3.4
191.17908	7.9
195.17384	3.8
199.16945	3.3
199.55560	2.7
205.19696	3.3
209.18997	3.8
221.19014	3.5
223.20444	3.1
233.22612	2.7
242.09686	3.1
253.27136	2.6
289.28964	12.4
307.29993	23.3
317.28397	15.6
335.29462	41.4
353.30542	5.6
371.31604	96.0
409.33179	56.6
427.34265	79.8
428.34219	4.8
428.39905	2.9
483.36920	30.3
501.37976	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.01869	2.2
55.05514	23.8
56.05025	6.1
56.96555	3.4
57.03418	3.9
57.07061	3.5
59.04985	2.2
65.03931	2.5
67.05509	29.5
69.03429	14.6
69.07071	63.6
69.25162	20.9
70.06583	3.8
71.04987	7.6
73.25740	2.1
79.05499	19.9
79.32004	2.3
81.03412	5.4
81.06591	2.5
81.07063	57.4
83.04963	8.5
83.08592	8.7
84.04510	100.0
85.02895	6.3
86.09687	8.6
87.04451	3.2
90.24525	2.2
91.05475	19.5
93.06480	2.7
93.07054	55.2
95.04974	12.4
95.08611	53.2
97.02895	3.1
97.06544	17.5
97.10176	27.2
98.97584	3.1
102.05549	48.7
105.07047	19.0
107.04916	2.3
107.07939	3.4
107.08607	32.5
109.02872	4.8
109.06532	16.0
109.10162	38.2
111.04433	3.4
111.08057	7.4
111.11728	10.4
117.07046	3.2
119.08597	21.2
121.06525	7.2
121.10151	36.6
123.08060	6.6
123.11710	12.4
125.09622	3.6
127.03917	3.7
130.05013	43.7
131.08563	8.7
133.10161	16.9
135.08043	4.4
135.11711	24.8
137.09613	12.1
139.11176	26.0
143.08589	3.1
143.99724	2.1
145.10135	16.4
147.04391	3.7
147.07999	4.8
147.11784	5.1
148.06050	52.3
149.01196	2.9
149.09599	7.7
149.13277	3.2
151.11179	8.6
153.12762	9.8
155.10677	3.7
157.10133	7.9
157.12244	14.1
159.11699	11.1
161.02466	2.3
161.09593	8.6
161.13322	5.7
163.03896	10.8
163.11166	9.2
167.10641	3.7
171.11671	4.4
171.13834	4.6
172.66000	2.4
173.11723	7.1
173.13181	4.8
175.11201	5.2
175.14833	2.9
177.12825	3.8
179.10681	6.0
181.12236	4.0
184.13351	3.4
185.13248	2.2
198.14886	2.8
201.16408	5.2
203.12759	3.2
215.07121	5.0
226.56310	2.3
255.21051	3.2
259.09750	2.6
267.09891	2.1
268.15439	5.2
273.22110	11.7
275.20117	3.0
283.13309	2.6
283.20422	6.1
286.16541	6.7
289.21579	3.3
291.23224	10.3
299.14951	3.4
301.21597	25.9
307.22610	3.7
311.12869	19.0
314.15851	3.3
319.22705	29.7
325.44656	2.5
337.23880	4.0
396.10760	2.4
420.27365	8.3
430.25626	3.1
436.26898	3.4
438.28717	4.1
448.26831	9.7
459.22168	4.6
466.27960	7.8
484.29010	3.6
502.34232	6.4
503.20663	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	502.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.05512	25.5
56.05037	5.6
56.12228	1.7
57.03435	3.4
59.04986	2.3
67.05509	28.8
69.03430	9.4
69.07072	54.9
69.66305	7.1
69.66713	3.2
70.06579	2.1
71.04996	6.9
72.96438	1.8
73.03552	1.7
79.05502	20.7
81.03407	2.4
81.07063	49.7
83.04998	5.5
83.08624	5.4
84.04510	100.0
85.02905	4.0
85.06554	2.8
91.05478	16.6
92.41078	1.7
93.07049	54.8
95.04977	12.2
95.08616	49.8
95.09248	2.6
97.02892	2.1
97.06519	13.9
97.10172	34.6
102.05549	56.2
105.07053	18.2
107.08599	31.6
109.06503	9.4
109.10159	33.4
111.08107	3.8
111.11726	16.7
115.11172	2.2
119.08601	18.7
121.06521	2.0
121.10159	46.9
123.08077	8.0
123.11721	11.7
125.09654	5.8
127.00185	2.1
130.05017	47.6
131.08591	5.6
133.10136	14.3
135.08078	4.3
135.11707	22.0
137.09633	7.9
137.13293	2.5
138.12729	2.4
139.11188	42.2
141.05235	2.1
145.06522	1.8
145.10143	17.7
147.08078	6.0
147.11708	5.7
148.06056	52.8
149.09636	8.3
149.13280	4.5
151.11188	8.8
153.12778	4.9
155.10684	2.5
157.10150	5.3
157.12280	18.9
159.11685	8.5
161.09653	5.9
161.13220	3.2
163.03943	3.4
163.11191	9.7
167.10695	5.0
171.11754	2.9
173.13309	4.0
175.11197	4.5
175.14824	3.4
177.12668	2.2
179.10742	5.1
181.12257	5.0
184.13350	2.8
185.13281	2.2
201.16371	3.2
203.12822	5.8
203.14507	2.2
211.14934	2.6
221.15410	2.1
223.14803	2.3
240.15903	2.5
255.21080	4.4
259.09518	2.2
268.15546	9.2
273.22144	7.1
275.20013	3.5
283.20581	4.0
286.16367	8.6
289.05438	2.9
291.23141	10.6
301.21689	23.7
307.22675	4.1
311.12817	3.6
314.15976	3.2
319.22675	30.7
337.23734	5.1
340.76480	2.3
402.12369	2.1
402.26489	2.8
407.58823	1.8
420.27472	6.3
430.26059	2.5
436.27002	2.4
438.28314	3.5
448.26755	5.0
454.28229	2.6
466.27966	5.8
484.29276	2.6
503.20313	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	502.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	12.2
56.36338	2.4
57.03449	15.1
57.06824	2.3
57.07085	30.8
59.04996	4.5
67.05509	84.1
69.07076	5.6
69.89140	1.8
70.70686	4.8
71.05001	2.3
71.08636	22.5
81.07071	19.0
83.08620	14.9
85.06549	2.3
85.10187	12.8
89.06042	3.0
91.05488	5.4
93.07066	3.1
95.08624	21.6
97.10182	4.1
109.10168	91.0
111.08081	3.1
119.08587	6.4
123.11713	4.4
125.37302	1.9
137.09630	3.7
137.13214	1.9
155.10767	9.4
173.11752	23.3
229.14378	96.0
313.27393	100.0
392.13193	2.0
467.37350	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	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53676	0.8
61.02927	1.1
70.70321	2.5
79.05519	2.2
81.07037	1.0
85.02905	3.5
91.05481	2.9
94.04214	2.5
103.05498	1.9
105.07036	5.3
107.04965	1.6
109.06509	2.1
115.05460	3.6
117.06981	1.2
119.08581	1.4
121.06497	0.9
122.03648	6.8
128.06239	1.3
129.07007	2.9
131.05006	1.1
132.05713	2.7
133.06479	3.5
137.05992	100.0
141.38130	1.0
145.06529	1.8
147.04449	2.5
147.08057	2.8
149.05963	1.7
155.04980	1.2
159.08051	3.0
160.05212	2.1
161.06012	13.2
163.07510	1.0
167.07104	1.3
172.05171	1.6
175.07567	26.9
180.27823	1.1
184.05179	1.5
187.07574	9.1
190.07802	2.2
191.08598	5.8
199.07562	7.0
202.07771	3.1
203.08659	5.6
218.07468	1.1
219.08110	10.5
220.08928	2.3
231.08141	6.7
232.08925	1.5
233.09636	1.3
236.08372	1.6
247.07567	4.3
248.08424	3.5
251.10704	11.9
259.07590	3.7
260.08179	1.4
263.10693	3.5
264.07718	1.5
265.08749	1.0
276.07794	2.1
277.08591	1.8
279.10223	9.7
281.08148	1.2
291.10110	8.2
292.10916	2.1
293.08072	1.1
295.13223	1.1
301.64752	1.0
305.13629	0.9
311.12836	24.0
323.12787	14.0
327.26712	1.0
493.79141	1.0
503.20703	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	503.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39211	0.6
53.03936	1.3
55.01872	1.7
56.96587	0.9
57.03430	2.0
61.02944	3.5
66.04702	0.8
69.03437	8.0
69.62484	2.6
69.62891	1.6
70.06596	2.6
71.04993	1.2
73.02898	1.0
79.05499	1.6
81.03431	3.1
81.07056	2.7
82.06592	1.2
84.04523	1.6
84.08169	0.9
85.02917	15.2
86.09724	2.1
87.04453	0.8
91.03996	0.9
91.05470	4.1
93.07025	1.4
94.04193	4.4
94.06577	1.2
95.05028	1.0
95.87843	0.6
97.02905	6.4
97.06529	0.8
97.10167	0.6
98.97602	1.0
99.04474	1.2
103.05484	3.8
104.06227	0.8
105.03410	0.6
105.07043	4.4
107.04977	1.0
107.08554	0.9
108.04758	0.6
109.02883	2.1
109.06506	2.0
113.06079	0.6
113.43634	0.7
115.05461	4.0
117.07020	1.5
117.75555	0.7
119.04920	0.9
119.08624	3.2
120.08125	1.4
121.06541	0.8
122.03668	8.3
127.03936	3.0
128.06229	2.0
129.07019	1.4
131.04929	3.9
131.59192	0.7
132.05713	1.8
133.06569	1.5
134.59328	0.7
137.05991	100.0
138.06354	0.8
141.06985	1.6
143.04941	1.0
145.04971	1.3
145.06531	1.0
146.03642	1.2
147.04439	1.2
147.08057	3.5
149.05965	2.1
149.09637	1.0
155.04918	0.7
159.08070	2.5
160.05223	1.7
161.06007	12.3
163.03902	4.0
163.07574	6.3
167.07085	1.2
171.08060	1.7
175.07570	32.8
177.05495	0.8
184.05222	1.4
187.07541	6.4
189.07422	0.7
189.09177	1.0
190.07802	1.6
191.08623	5.4
191.29962	0.7
192.09398	0.7
199.07559	15.0
201.09196	1.0
202.07784	5.0
203.08598	7.6
205.06531	0.9
207.07939	0.9
218.07275	2.0
219.08049	8.5
220.08842	3.0
231.08063	10.7
232.08833	2.3
232.17055	1.3
236.08357	0.8
237.09167	1.2
247.07607	2.9
248.08330	4.5
249.09161	1.5
249.19710	0.7
251.10678	8.3
259.07602	7.0
260.08325	1.9
261.09216	1.5
263.10687	4.4
265.08585	1.2
267.09100	1.1
275.06784	0.8
276.07825	2.2
277.08594	4.5
279.10187	5.0
280.10657	0.7
283.13531	0.7
285.10397	0.8
291.10193	12.5
292.10944	4.7
293.08197	1.4
295.13312	1.6
298.20166	2.5
308.10379	2.0
311.09225	0.9
311.12817	18.3
323.12772	19.4
325.14401	1.8
341.24396	3.0
383.25424	1.0
417.24380	1.0
485.19748	1.4
503.19983	7.4
503.30182	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	503.1907
Annotation	Tryptoquivaline I
Peak:m/z	Relative Intensity
53.03945	2.6
55.05520	2.0
56.96566	6.3
60.94230	1.6
67.05508	3.3
67.21276	1.5
69.03425	3.7
69.07076	2.7
70.06586	6.3
71.54977	2.5
72.08150	2.4
79.05505	5.2
81.03464	2.1
81.07068	5.0
83.04971	1.7
84.04520	3.5
84.08171	2.9
85.02910	4.8
89.03919	6.9
91.05484	4.0
93.07044	8.6
95.04983	4.2
95.08611	2.1
98.97579	6.3
102.05532	2.4
105.07036	2.8
107.04940	2.3
107.08595	2.4
112.99130	5.4
115.05457	1.8
116.98573	2.1
117.03396	6.1
119.08567	2.4
121.06548	3.5
121.10143	7.2
123.66229	1.9
131.00175	8.1
135.04437	12.3
137.05994	6.3
143.00150	2.4
145.02875	10.4
147.04427	3.8
149.01256	1.9
158.99702	3.7
163.03926	65.5
163.07530	2.7
171.06651	2.2
175.03891	9.0
187.07494	3.4
193.12149	1.8
195.07991	2.7
201.67471	1.8
202.88484	1.8
213.05457	1.8
215.07011	3.1
241.08652	2.9
249.07988	2.7
251.10852	2.3
255.13771	2.3
265.12109	3.0
267.02484	1.8
267.09030	20.5
275.04385	2.6
283.13303	5.2
285.10162	21.3
293.05396	5.5
298.20255	3.6
299.06131	2.9
309.10092	7.6
311.12808	13.5
337.09207	2.5
341.24408	4.5
485.16797	11.7
486.17294	2.2
503.19556	100.0
504.19601	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01870	1.0
58.38561	0.8
65.03940	1.7
69.03416	2.0
69.75193	0.7
69.94904	4.3
70.06602	2.4
72.08160	2.4
74.81587	0.8
79.05490	2.6
81.03378	1.1
81.07048	1.4
84.04513	2.1
84.08114	1.6
85.02916	6.3
86.09698	4.1
89.52227	1.0
91.05468	4.1
92.48901	0.9
94.04188	4.3
95.04951	1.5
97.02889	1.4
98.97594	1.0
103.05479	1.6
105.07035	6.2
107.04943	1.2
109.02921	1.0
109.06537	2.3
111.31354	0.8
115.05446	3.6
117.07008	1.3
119.04906	1.3
119.08587	1.5
122.03673	7.0
128.06198	2.1
129.06970	2.0
131.04909	1.7
131.08560	0.9
132.05708	1.9
133.06477	3.5
137.05983	100.0
145.06479	1.3
147.04425	1.5
147.08051	3.2
149.05975	1.7
159.08057	2.0
160.05161	2.0
160.69894	1.0
161.05995	13.3
162.07643	1.4
171.08109	0.8
172.05305	1.0
175.07553	33.6
187.07538	10.7
189.09172	1.0
190.07758	2.7
191.08589	8.2
192.84174	0.9
199.07559	10.6
201.12325	1.0
202.07732	3.6
203.08557	3.6
207.08015	1.0
217.08453	1.1
218.07260	2.4
219.08070	10.2
220.08878	2.1
231.08055	5.2
232.08812	1.1
236.08398	1.3
247.07625	5.3
248.08287	2.4
251.10707	11.9
259.07559	4.6
260.08258	1.6
261.09207	1.2
263.10660	3.8
264.07816	1.2
265.08679	0.9
275.16125	1.2
276.07947	1.3
277.08615	2.1
279.10156	12.9
280.10889	1.1
291.10184	7.9
292.10999	1.9
293.08200	1.9
311.12772	22.7
312.12930	0.9
323.09338	1.2
323.12817	14.2
335.19659	0.9
418.72733	0.9
459.17902	1.1
503.20609	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	503.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
53.18666	0.5
55.01871	0.8
55.05503	1.9
56.96568	0.6
57.07069	0.7
67.05499	1.7
69.03423	2.2
69.07051	2.3
69.16808	6.9
79.05489	1.5
81.03401	2.2
81.07045	5.5
83.08617	1.1
85.02898	1.3
91.05479	1.4
93.07042	2.2
95.04985	0.7
95.08604	4.2
95.87107	0.6
97.02883	1.2
97.06532	2.6
97.10127	1.0
98.97610	0.7
105.07008	1.8
107.08604	2.2
109.02848	1.2
109.10123	2.1
119.08580	1.1
121.10140	2.2
123.11686	2.0
125.09570	1.0
127.03754	2.7
129.86163	0.6
131.08586	0.7
133.10155	0.9
135.04407	0.7
135.11662	1.4
142.08650	1.1
143.00165	0.6
145.10175	1.2
147.11661	0.6
149.13268	1.2
163.03911	2.5
185.01311	0.6
215.06999	1.2
251.10616	0.7
255.15741	3.1
257.69269	0.7
259.09760	0.8
271.04306	0.7
283.15073	0.7
289.05228	0.7
311.12686	4.1
313.16284	1.8
329.15805	0.8
355.17392	4.5
371.16711	0.8
399.16217	5.3
417.20993	5.0
441.21207	0.7
459.15622	1.2
459.22006	22.7
503.20850	100.0
504.21286	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	6.1
55.01875	2.8
55.05518	46.0
57.03432	2.7
57.07081	16.4
64.15782	0.8
65.03952	0.8
66.27695	0.7
67.05515	17.7
68.09389	0.7
69.03438	2.5
69.07076	43.1
71.05004	1.2
71.08640	11.3
77.35996	0.7
79.05504	16.4
81.03426	100.0
81.07062	15.8
83.04978	4.2
83.08630	56.1
84.08936	0.8
85.10179	4.2
91.05488	21.1
93.07058	10.1
95.04978	26.1
95.08625	7.3
97.02920	3.8
97.06586	1.0
97.10183	29.7
105.07040	15.2
107.04964	6.5
107.08620	5.5
109.06532	2.6
109.10178	3.4
111.04456	2.2
111.08094	9.2
111.11737	10.4
115.05471	2.1
117.07030	3.1
119.04979	1.2
119.08595	11.8
121.06525	2.8
121.10167	6.0
125.09670	1.0
125.13300	2.6
129.07022	11.6
131.08569	8.3
133.06549	2.8
133.10143	4.5
135.11728	2.4
137.09659	1.2
142.07838	2.7
145.10139	2.3
146.18698	0.9
147.08060	2.5
147.11690	8.1
149.09590	5.3
153.24654	0.9
155.41264	0.8
157.10135	10.8
163.11256	1.6
165.12773	1.6
175.11217	11.3
193.12257	40.9
205.12276	1.0
211.13338	1.1
237.22215	3.6
249.14905	9.5
390.26065	0.9
430.19675	0.9
503.37451	81.7
504.37939	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	504.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44060	3.8
51.41205	2.9
53.03946	3.9
54.69681	3.3
55.05518	25.5
56.05036	4.9
57.07084	7.7
58.98726	3.3
61.36641	3.2
67.05508	30.9
69.03433	7.8
69.07076	41.2
69.42318	27.0
71.04993	10.1
79.05498	23.7
81.03413	4.6
81.07061	84.9
83.04990	3.4
83.08621	12.4
84.04512	100.0
91.05496	17.8
93.07057	55.0
95.04982	27.7
95.08614	65.5
97.06526	12.8
97.10180	16.8
102.05557	51.4
105.07045	36.3
107.08604	41.6
109.06519	10.6
109.10162	42.1
110.78436	3.6
111.08097	7.2
111.11729	5.0
117.07021	4.1
119.08588	28.9
121.10146	38.1
123.08105	5.3
123.11716	38.3
128.46051	3.4
130.05022	64.8
131.08571	14.2
133.10164	21.1
135.11713	30.6
136.80821	3.1
137.09615	6.5
137.13312	6.8
139.11209	10.9
141.12793	4.1
145.10138	22.8
147.11700	25.9
148.06062	74.7
149.13277	6.8
151.11258	3.7
153.12761	8.3
159.11691	25.7
161.13261	11.2
163.11195	7.0
163.14827	4.9
165.12733	4.7
171.11627	4.1
171.13908	4.3
173.13258	6.2
175.14874	4.3
177.12746	4.5
187.14807	10.0
201.16478	6.0
209.15451	3.6
215.05360	3.7
257.22607	10.5
275.23694	13.9
285.22134	12.9
286.16772	3.9
291.23212	7.1
293.24701	7.7
298.16345	4.1
303.23233	62.2
309.24280	4.3
316.17606	10.9
321.24225	10.3
374.68005	3.8
404.28226	4.0
420.27695	3.9
432.27399	3.7
450.28497	10.5
505.17023	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	504.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.05305	2.8
55.05518	29.5
56.05033	4.7
57.03439	4.8
57.07072	5.5
60.10745	2.7
65.03900	3.0
67.05522	29.9
69.03438	3.4
69.07076	37.3
69.55076	2.6
70.03889	4.4
70.04299	11.8
71.04987	4.0
77.61466	2.8
79.05501	28.4
81.07065	92.0
82.07407	3.3
83.04984	6.3
83.08643	16.7
84.04513	100.0
85.06545	5.7
88.04356	3.3
88.26604	2.6
88.54750	2.6
91.05486	18.3
93.07056	47.6
95.04968	14.4
95.08614	68.5
97.06542	10.4
97.10168	16.1
99.08092	5.5
102.04935	4.3
102.05561	55.0
105.07038	46.4
107.08599	43.6
109.06514	11.1
109.10169	40.7
111.08080	7.4
111.11709	8.1
117.07007	8.1
119.08606	39.4
121.10141	35.6
123.11723	18.4
125.09600	5.4
130.05016	59.4
131.08569	16.7
131.76106	2.9
133.10144	20.6
135.07997	3.5
135.11697	21.9
137.09662	4.6
137.13254	17.5
139.11194	6.1
145.10146	30.6
147.11691	27.8
148.06055	97.9
149.13293	8.6
150.42117	4.0
151.11237	6.3
157.10114	4.8
159.11716	28.0
161.13286	12.2
163.11221	7.4
165.12732	5.7
165.16431	3.2
171.11726	3.8
173.13237	10.5
175.14815	9.8
177.12828	3.5
177.16319	7.0
180.90025	3.2
187.14816	14.6
189.16438	3.9
195.17447	6.7
196.89886	3.0
201.16434	4.7
213.18526	3.8
257.22629	8.8
273.22025	8.0
275.23798	13.2
285.22079	13.7
291.23193	8.7
293.24600	5.2
303.23224	39.8
309.24063	4.0
312.12476	3.1
312.17920	5.6
321.24384	15.9
330.19266	15.0
342.22772	10.3
404.27866	5.2
420.27377	11.7
422.29108	3.1
432.27444	10.7
438.28665	7.8
450.28360	13.2
455.32550	3.0
468.29669	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	504.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	26.7
55.09119	3.5
55.11212	3.5
56.05022	6.3
56.96555	4.0
57.03434	6.1
57.07075	6.8
59.04995	3.4
65.03917	3.8
67.05209	3.5
67.05505	29.1
69.03444	7.7
69.07068	37.7
70.06580	11.0
70.93725	8.2
71.04985	9.2
75.28560	2.8
79.05497	28.1
81.03428	5.0
81.06585	4.5
81.07059	99.4
83.04977	8.8
83.08610	11.6
84.04505	100.0
84.08088	3.9
85.02905	6.2
85.06548	4.6
86.09712	14.1
91.05473	25.6
93.07046	61.2
95.04950	17.3
95.08604	55.5
97.06528	21.5
97.10150	12.9
98.97622	4.4
99.08087	4.3
102.05545	45.4
105.07023	37.9
107.08595	46.1
109.02867	3.3
109.06522	8.0
109.10157	39.3
111.08057	11.4
111.11714	5.0
112.17796	3.4
113.62758	3.8
117.03365	6.4
117.07029	4.6
119.08578	31.3
121.02837	3.2
121.06492	4.0
121.10142	38.8
123.08099	5.0
123.11712	30.7
125.09647	5.6
130.05003	57.1
131.08582	14.2
133.10118	21.7
135.04420	5.7
135.11658	30.7
137.06009	3.6
137.09668	5.8
137.13217	7.3
139.11171	5.9
143.72490	3.5
145.10117	31.9
147.11682	30.8
148.06042	85.2
149.09642	5.4
149.13252	13.2
151.11177	9.1
153.12762	5.5
157.10072	4.1
159.11687	23.0
161.11920	3.0
161.13240	13.8
163.03922	21.7
163.11223	8.1
163.14781	6.6
165.12827	6.0
166.05038	3.8
171.11674	5.3
171.13718	3.9
173.13239	12.6
175.14833	8.4
177.05423	5.9
177.12761	4.9
177.16403	5.2
187.13319	3.6
187.14816	8.6
191.14297	7.3
201.16331	4.1
211.14496	3.8
215.17827	3.3
229.19318	3.9
257.22638	4.0
267.21072	7.9
268.10648	4.4
268.69366	3.5
273.22037	5.1
275.23669	8.9
285.22101	10.6
291.23083	7.6
293.24643	7.1
298.16385	5.0
301.09775	3.6
303.23221	51.2
311.12772	12.1
312.09744	3.9
312.13025	23.0
316.17499	12.1
321.24173	8.9
364.32999	3.3
420.27280	5.0
432.27405	13.2
438.28705	4.4
450.28894	7.1
486.19687	6.0
504.21521	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	505.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62770	0.4
63.73750	0.5
67.05477	0.5
70.06603	1.0
78.75144	0.4
85.02904	0.5
94.80937	0.5
95.04966	1.3
96.82730	0.5
98.97594	0.7
105.94727	0.4
110.09697	0.5
130.61751	0.4
130.62949	0.4
132.02448	0.4
133.10135	0.5
137.06006	0.8
145.02826	0.5
151.03931	0.4
167.03473	0.5
177.22037	0.5
185.04282	0.5
190.05057	0.7
192.96593	0.4
201.03696	0.5
203.05267	0.5
259.07907	0.8
299.14618	0.9
317.81097	0.5
325.16467	0.5
331.10031	1.4
343.17273	0.8
370.04675	0.4
427.16464	0.6
443.18948	1.6
461.19937	16.7
462.20993	0.5
487.21484	8.4
505.22614	100.0
506.22867	1.6
527.67480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.226
Annotation	Furcatoside C
Peak:m/z	Relative Intensity
56.96577	0.4
57.46022	0.3
64.96239	0.4
65.46799	0.3
68.08437	0.3
69.03391	0.4
70.06593	1.2
71.07526	0.7
79.05515	0.4
81.03376	0.5
83.01089	0.5
84.04503	0.6
85.02856	0.5
86.09694	0.7
91.05475	0.4
97.02884	0.5
119.04984	0.5
120.08149	0.5
125.03258	0.3
136.01859	0.4
139.95007	0.4
143.08429	0.3
145.31355	0.4
147.04562	0.4
147.07756	0.4
151.03912	0.6
156.03966	0.6
161.05960	0.4
161.24269	0.3
181.05022	0.5
183.65311	0.3
184.03419	0.3
185.04227	0.6
201.03850	0.6
203.05316	1.0
259.07907	1.4
299.14655	1.0
325.16180	0.4
331.10080	1.0
343.12695	0.4
343.17441	1.1
355.09763	0.3
373.14722	0.5
443.18817	0.7
445.20612	0.4
461.19934	15.4
473.15445	0.6
487.21588	8.4
494.18701	0.3
505.22595	100.0
506.23105	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3503
Annotation	Yardenone A
Peak:m/z	Relative Intensity
52.39019	0.4
53.03922	1.0
55.01841	0.4
55.05512	4.9
57.03404	1.1
57.07078	9.7
66.64355	0.5
67.05506	8.4
69.07070	5.3
69.19728	4.2
71.08630	6.0
77.97894	0.4
79.05492	4.0
81.03423	19.2
81.07059	7.7
83.04941	0.9
83.08622	7.8
85.06473	0.5
85.10186	4.5
91.05481	3.9
93.07033	2.9
95.04972	5.4
95.08607	6.7
97.02828	0.4
97.10160	3.5
98.21616	0.6
105.07046	2.7
107.04892	1.2
107.08543	1.8
109.06483	0.6
109.10148	3.8
111.08086	1.9
111.11703	0.7
119.08581	3.0
121.06475	0.4
121.10139	2.0
123.04370	0.4
123.11618	1.5
125.09593	0.7
129.06947	1.7
131.08496	1.8
133.06477	0.5
133.10091	0.7
135.95831	0.4
137.13226	0.5
145.08046	0.4
147.07961	0.5
147.11581	1.4
149.09523	1.3
149.13197	0.4
157.10083	1.3
167.93359	0.4
175.11183	2.1
193.12256	11.0
195.09933	9.5
231.28989	0.4
239.23743	2.3
249.14737	1.5
251.12607	3.2
261.22028	0.5
311.25708	1.9
320.93121	0.7
333.23749	1.2
505.34534	100.0
506.34952	2.8
525.85431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13311	5.3
53.03949	9.0
55.01876	27.0
55.05511	46.2
57.03436	6.3
65.03954	6.0
67.05512	87.4
69.03428	12.8
69.07072	51.8
71.05006	10.2
71.55154	6.0
79.05495	80.3
79.05914	8.2
80.52586	4.5
81.03421	19.4
81.07059	100.0
83.04975	10.0
83.08643	28.4
85.02891	6.8
85.06562	7.7
91.05489	81.7
93.07052	83.4
95.04980	22.4
95.08613	73.6
97.02877	8.4
97.06546	43.3
97.10174	17.7
99.04485	4.8
105.07035	81.1
107.04929	16.6
107.08597	53.8
109.02841	9.3
109.06520	16.3
109.10165	22.1
111.08078	8.4
113.09671	6.0
117.07002	32.4
119.04958	7.9
119.08603	60.8
121.06520	15.1
121.10144	29.4
123.08066	15.0
123.11702	9.3
125.09644	9.2
127.03905	9.0
127.90688	4.7
128.06291	5.9
129.07036	25.3
130.07797	4.7
131.08563	50.6
133.10158	42.2
135.08037	11.0
135.11687	15.6
137.09647	7.9
141.06969	10.5
143.08540	31.7
145.06569	5.3
145.10150	37.7
147.04416	7.8
147.08023	10.8
147.11691	34.8
149.09622	17.1
149.13257	14.5
150.37375	5.8
155.08592	8.3
155.46465	4.7
157.10132	21.3
159.07977	7.0
159.11726	25.6
161.09712	7.9
163.11197	6.3
165.12759	4.8
167.08525	8.0
169.10170	18.0
171.11736	20.7
173.09637	7.6
173.13260	10.9
175.11246	7.0
177.12759	11.0
181.10141	6.7
183.11713	18.3
185.09711	8.4
185.13338	10.2
187.11143	4.7
189.12749	6.0
195.11774	5.9
197.13295	9.6
199.14899	6.3
201.16420	7.6
209.13313	6.0
211.14975	5.6
213.03946	12.9
213.12799	5.9
215.14522	6.1
223.17087	4.7
233.15410	7.2
235.14996	5.0
239.18018	5.2
249.18553	5.6
255.67415	5.0
257.19025	9.2
275.20096	64.6
291.19714	5.2
293.21182	11.5
303.19611	5.5
327.23187	7.7
339.23114	8.8
357.24371	11.6
375.25110	12.6
386.87448	5.2
393.26608	8.7
407.28629	5.7
421.27390	5.3
423.32541	10.5
433.31021	15.5
451.32205	39.6
469.33130	50.1
471.95807	5.7
487.34195	47.4
505.24478	9.2
505.35223	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	505.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.8
53.03947	9.0
55.01871	3.5
55.05518	62.1
55.50522	1.6
57.03436	5.4
57.07082	50.1
59.05008	1.7
65.03954	3.8
67.05511	71.0
69.03432	6.0
69.07079	31.4
69.23104	1.4
70.48498	2.8
70.48843	3.1
71.04998	2.2
71.08641	37.6
75.35544	1.3
77.03949	1.2
79.05502	50.1
79.05965	2.7
81.03427	100.0
81.07066	73.4
83.04982	6.0
83.08630	61.1
85.06535	2.8
85.10197	18.8
91.05489	40.8
93.07061	43.0
95.04980	30.8
95.08616	54.8
97.02923	4.3
97.06554	2.6
97.10181	61.8
98.42782	1.4
99.11720	1.6
105.04540	1.8
105.07040	24.2
107.04990	6.7
107.08609	32.3
109.06522	3.5
109.10168	29.2
111.04449	2.6
111.08078	9.5
111.11723	3.4
115.05448	3.0
117.07027	5.7
119.05007	2.0
119.08593	24.6
121.06526	2.0
121.10156	18.4
123.08070	3.1
123.11712	10.8
125.09643	38.4
128.06299	1.8
129.07010	14.7
131.08577	18.2
133.06497	2.9
133.10127	10.7
135.08035	4.8
135.11723	14.8
137.06009	1.5
137.09654	2.4
137.13239	3.4
142.07738	1.5
143.08629	1.6
143.10664	2.5
145.10138	4.9
147.08073	3.8
147.11740	12.0
149.09636	6.8
149.13261	5.6
153.09116	3.0
156.95827	1.5
156.97464	2.8
157.10110	8.6
159.11722	6.9
161.13260	4.6
163.14851	2.7
165.12753	2.2
171.10202	2.2
173.13327	5.5
175.11246	9.2
176.99280	2.2
185.13255	2.1
189.11244	36.0
193.12271	63.1
195.00336	53.4
201.16397	1.7
213.00095	2.5
227.12804	32.3
229.14365	2.6
231.13895	1.7
233.22696	1.8
239.23741	10.9
243.21077	4.0
245.13940	2.3
249.14839	8.3
259.20596	4.2
261.22180	17.2
277.21539	2.3
311.25806	8.5
317.24783	4.8
384.36960	1.5
477.49158	1.7
487.23099	1.4
487.33972	4.4
505.24304	4.4
505.38547	69.8
510.96216	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	505.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12721	0.7
53.03955	6.2
55.01871	2.0
55.05516	13.4
57.03437	2.3
57.07081	46.1
61.14165	0.8
65.03945	1.5
66.61132	0.8
67.05508	33.2
69.03439	2.4
69.07079	13.4
70.67233	1.7
71.04998	1.5
71.08635	34.0
79.05501	16.5
81.03423	100.0
81.06575	1.9
81.07059	34.1
82.03770	1.8
83.04991	3.5
83.08628	29.8
85.06580	1.7
85.10190	18.1
91.04968	1.5
91.05493	19.3
93.07052	10.1
95.04976	24.7
95.05562	1.7
95.08614	32.7
97.02895	3.0
97.06517	1.5
97.10179	8.8
97.84879	0.9
99.08131	1.8
103.05490	0.9
105.07036	14.8
107.04939	6.3
107.08625	5.0
109.06516	3.0
109.10156	19.4
111.04485	2.1
111.08090	8.2
111.11748	1.4
113.78275	0.8
115.05493	1.4
117.07033	1.9
117.62873	0.7
119.08589	13.5
121.06532	2.5
121.10142	7.3
123.04433	1.4
123.08083	0.9
123.11718	6.7
125.09647	0.8
125.13268	1.3
129.07024	10.6
131.08565	7.6
133.06502	3.3
133.10162	4.6
135.08119	1.1
135.11746	1.3
137.09688	2.3
137.13304	3.2
142.07777	2.1
145.10176	1.3
147.08052	2.4
147.11678	6.6
149.09592	4.5
151.11346	0.8
151.14819	1.0
157.10150	10.1
165.12779	1.7
165.16476	1.2
173.11780	0.9
175.11177	9.9
179.14343	4.0
193.12257	56.7
194.12575	1.5
205.12340	1.1
213.12888	1.0
221.22751	1.5
231.13902	0.9
239.23758	10.6
249.14912	8.5
272.25998	0.8
277.21759	3.1
387.66403	1.0
505.38995	98.8
506.39691	2.3
529.96942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.05500	1.4
56.96563	1.5
57.07077	1.0
58.63227	1.0
61.02953	1.2
67.05511	6.7
69.03416	3.8
69.07066	3.6
70.83399	0.9
71.04970	1.1
71.55140	2.2
79.05501	7.2
79.60990	0.9
81.03421	6.6
81.07060	100.0
82.07387	1.0
85.02911	2.4
87.00823	3.6
91.05482	2.3
93.07048	2.0
95.04972	1.7
95.08610	15.3
97.02882	3.7
97.06528	1.5
99.04464	2.3
105.01877	2.3
109.02875	10.2
109.10170	1.7
119.08604	1.4
119.18152	1.3
120.16293	1.1
127.03918	20.4
137.13264	18.4
147.04417	1.6
147.07947	1.1
186.72867	1.0
213.03917	4.5
229.07378	1.4
231.05022	5.7
231.07124	1.2
317.05045	4.7
364.12607	1.0
396.43866	1.0
423.09134	2.3
441.10483	1.8
465.10028	1.2
483.11215	4.3
493.17233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.05503	20.2
56.05015	5.5
56.96576	5.0
57.07080	7.1
67.05515	31.6
69.07073	33.0
69.37717	33.8
76.39720	4.5
79.05500	26.0
81.03445	6.2
81.07065	88.2
83.08614	9.8
84.04516	78.7
85.02924	8.8
90.91949	4.3
91.05479	18.2
93.07047	51.9
95.04948	7.3
95.08615	65.3
97.10157	11.1
99.08126	6.4
102.05548	39.8
105.07018	30.8
107.08598	55.5
109.06593	6.3
109.10169	42.6
109.25922	5.1
119.08597	30.4
121.10167	29.5
123.11745	38.5
130.04993	61.7
133.10133	21.9
135.11736	11.7
137.13280	10.7
139.53401	4.5
145.10106	7.0
147.11697	15.7
148.04996	8.8
148.06061	100.0
149.13234	45.7
151.11179	10.6
151.99969	4.8
153.12755	7.3
161.13234	13.3
163.03877	6.1
163.14827	11.2
164.04207	7.5
166.08490	5.3
173.13214	6.7
189.16403	8.3
191.14337	7.8
231.17290	6.8
258.20917	5.7
286.16559	13.4
287.23712	22.0
289.59763	5.5
300.18134	7.5
302.16116	4.7
305.24734	13.9
316.17386	9.0
328.17908	4.6
338.19714	11.3
356.20496	9.8
396.23843	5.6
422.28979	27.0
422.95074	4.7
434.29184	22.5
440.29819	6.1
452.29968	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	507.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62838	0.4
55.05521	5.9
57.03444	5.4
57.07080	17.4
67.05511	13.1
69.07069	4.6
71.08636	11.3
78.65605	0.5
79.05502	3.1
81.03415	0.6
81.07062	13.5
83.04964	0.5
83.08632	5.4
85.06537	0.7
85.10182	5.7
86.52334	0.5
89.06020	1.1
91.05484	2.4
93.07063	4.2
95.08072	1.0
95.08617	11.2
97.06515	0.6
97.10156	3.4
98.21633	1.1
103.07581	0.6
105.07019	1.4
107.08605	3.2
109.10168	9.6
115.03669	1.4
117.07013	1.1
119.08568	1.9
121.10137	1.8
123.11693	1.7
125.09649	1.4
131.08585	1.5
133.10130	1.2
135.11674	1.5
145.10118	1.0
147.11734	0.9
149.13252	0.9
156.97507	1.6
159.11702	0.9
161.13231	0.6
173.11728	1.4
173.13208	0.7
174.98547	1.8
176.99243	6.1
187.05966	0.6
189.11244	0.7
195.00322	100.0
212.30905	0.5
213.00075	3.0
227.12743	1.4
229.14351	3.4
239.23558	0.8
243.21297	0.5
257.24927	0.7
261.22107	3.0
269.03674	0.5
313.27393	29.8
314.27960	0.6
317.25095	0.7
335.26038	2.4
353.26709	0.5
397.31122	0.8
415.22235	1.2
415.32074	0.5
451.23285	1.7
489.25705	0.8
489.35858	3.2
507.27039	24.7
507.35727	1.9
508.27701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03951	1.9
55.01891	1.6
55.05519	11.7
57.03447	7.6
57.07063	1.9
65.03931	2.5
67.05177	3.2
67.05512	44.6
67.44813	1.8
69.07076	9.0
69.22317	5.5
69.22739	10.6
71.04983	1.7
79.05077	1.6
79.05506	34.0
81.07066	39.3
83.08617	5.7
91.05495	19.1
93.07059	32.4
95.02209	1.7
95.04949	2.2
95.08062	2.2
95.08625	29.3
97.06511	3.2
97.10162	4.2
98.20734	3.8
98.98475	47.9
104.10723	2.4
105.07040	15.1
107.04933	2.3
107.08612	21.1
109.06511	1.9
109.10182	14.4
117.07008	4.8
119.08627	11.8
121.10153	12.9
122.35343	1.6
123.08121	2.0
123.11672	4.6
125.09575	1.8
131.08563	7.4
133.10168	9.8
133.11028	2.3
135.11731	10.1
137.13289	2.1
141.06898	1.6
145.10130	5.8
147.11662	6.9
149.13255	6.9
155.01048	16.4
159.11792	4.1
161.13260	4.4
163.14867	3.3
173.02135	6.8
173.13284	2.9
175.14803	2.7
187.14830	2.8
196.43915	1.8
209.18082	1.9
221.15388	2.6
238.17105	1.7
243.21080	6.3
247.05743	4.0
261.22186	13.7
268.27792	1.7
317.24765	7.7
335.25839	100.0
336.26126	2.5
420.74182	1.9
441.37192	1.9
471.25107	5.1
507.29120	4.1
507.35690	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	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30638	1.5
55.05517	10.1
57.03438	7.5
65.03946	2.9
67.05508	45.2
69.07086	10.6
70.37411	3.3
71.05006	2.1
79.05502	23.3
81.03371	1.9
81.07062	41.7
83.08621	5.6
91.05473	13.2
93.07047	27.3
95.04945	2.5
95.08613	38.1
97.10183	2.5
98.98473	63.0
104.11216	1.8
104.57616	1.8
105.07030	10.1
107.08611	12.8
109.06497	2.2
109.10157	16.4
117.07044	4.0
119.08585	11.8
121.10168	12.0
123.11736	5.5
124.76802	1.5
131.08569	4.9
133.10132	7.0
135.11746	9.0
145.10132	5.4
147.11681	4.2
149.13295	4.5
155.01060	7.3
159.11748	3.7
161.13283	3.9
173.02109	10.8
173.13232	3.1
184.07364	5.0
221.15369	4.4
243.21199	2.6
247.05807	3.9
261.22238	9.1
317.24704	4.3
335.25821	100.0
336.26236	2.7
412.63541	1.9
507.34671	6.3
513.90887	2.2
516.55914	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3662
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
51.20621	0.6
55.05519	1.4
57.03438	0.7
57.06812	0.7
57.07072	3.7
67.05514	4.8
69.07068	2.2
70.80892	0.6
71.08644	2.9
71.55631	0.7
79.05500	1.1
79.61950	0.6
80.15584	0.5
81.07075	4.6
83.08634	1.6
85.06593	0.7
85.10210	1.0
91.05466	1.3
92.31483	0.6
93.07057	1.6
95.08617	2.4
97.10175	0.9
107.08613	1.0
107.70625	0.6
109.10144	2.4
127.42148	0.6
149.13261	0.8
154.34880	0.7
166.93163	0.6
195.09921	6.6
198.17097	0.6
251.12582	3.8
313.27405	1.8
507.36545	100.0
508.36353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01873	2.7
55.05512	23.6
57.03447	8.8
57.07079	8.4
59.04993	3.5
65.03945	3.1
67.05508	100.0
69.03422	2.0
69.06728	1.3
69.07075	16.6
70.48502	3.8
71.05010	6.0
71.08627	4.9
79.05495	29.2
81.03442	2.7
81.07059	62.4
83.04982	2.9
83.08626	14.1
84.36273	1.0
85.06545	3.1
85.10192	3.0
91.05482	22.5
91.06004	1.5
93.07049	34.5
95.04969	4.8
95.08615	43.9
97.06525	3.4
97.10177	14.0
99.08087	1.4
105.07038	15.5
107.04949	1.7
107.08601	26.1
109.06519	1.8
109.10160	61.0
111.08087	4.7
117.07021	7.8
119.08595	16.2
121.10165	16.7
123.08080	2.2
123.11713	9.4
125.09652	9.0
129.07033	2.5
131.08583	12.5
133.10144	12.8
135.08096	2.4
135.11707	13.4
137.09593	3.4
137.13295	3.3
139.11229	2.3
143.08611	3.1
145.10118	10.6
147.11714	9.5
148.53455	1.0
149.09698	1.7
149.13261	10.3
151.11356	1.4
153.09171	1.4
155.08612	1.2
155.10687	5.0
157.08868	1.2
157.10094	2.0
159.11731	9.9
161.09676	1.3
161.13278	4.8
163.14830	4.1
171.10185	1.9
171.11679	2.3
173.11749	13.9
173.13290	6.7
175.14839	3.3
176.99277	2.1
185.13303	2.7
187.14851	4.2
189.11235	8.8
193.12318	2.7
195.00386	7.0
197.13312	1.4
199.14873	2.0
201.16385	2.5
213.00018	1.3
227.12761	11.0
229.14352	38.4
231.15932	2.2
243.21100	4.0
259.20547	2.7
261.22147	27.0
263.23795	2.2
275.20297	1.8
277.21573	1.8
279.23297	1.9
285.22070	1.2
289.21738	1.6
299.23883	2.0
313.27487	2.0
317.24747	4.2
333.24237	1.6
335.25815	23.6
351.25851	1.3
379.30096	3.4
397.31058	7.5
415.22446	2.4
415.31949	7.3
433.32880	6.1
471.34534	4.8
489.35818	35.9
507.26840	11.9
507.37085	22.9
508.37253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01892	1.5
55.05516	25.5
57.03452	8.0
57.07088	9.2
59.05011	3.2
65.03946	2.4
67.05513	100.0
69.03424	3.1
69.07071	15.0
70.49200	3.9
71.05001	3.1
71.08630	6.0
79.05503	30.0
81.03421	4.2
81.07064	63.1
83.05005	2.4
83.08635	20.3
85.06543	4.6
85.10197	4.0
86.80247	1.3
91.05498	22.3
93.07062	36.5
95.04975	4.2
95.08614	45.2
97.06513	4.1
97.10194	13.7
99.08111	1.6
104.10538	1.3
105.07040	15.9
107.08606	25.9
107.40261	1.2
109.10170	60.1
111.08115	4.1
115.05357	1.3
117.07068	7.0
117.68769	1.2
119.08607	18.1
121.09296	2.0
121.10152	18.5
123.11737	8.4
125.09675	7.8
129.07021	2.2
131.08588	12.1
133.10161	10.8
135.08096	2.7
135.11693	13.1
137.09642	3.2
137.13248	2.1
143.08572	3.6
145.10136	10.3
147.11699	9.9
149.09666	1.5
149.13298	7.5
153.09085	1.8
155.10683	5.3
157.10072	2.2
159.11694	9.9
161.13278	5.7
163.11328	1.9
163.14864	4.2
170.02695	1.4
171.10342	1.5
171.11732	2.1
173.11768	12.2
173.13319	7.7
175.14932	1.4
176.99181	1.8
177.29701	1.3
185.13255	2.1
187.14854	4.1
189.11226	5.6
193.12277	2.0
195.00325	8.4
227.12819	10.7
229.14374	32.4
239.23840	1.6
243.21155	4.3
245.22565	1.6
259.20575	2.4
261.22174	19.8
291.23203	1.6
299.23676	1.9
313.27432	2.9
317.24747	2.9
329.90442	1.4
335.25830	20.5
379.29996	3.1
397.31165	6.5
415.32010	7.2
433.33258	6.7
471.34579	4.2
489.35751	32.3
507.26895	13.4
507.37106	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	507.3687
Annotation	Gymnemagenin
Peak:m/z	Relative Intensity
53.03946	7.1
55.01866	10.3
55.05262	5.5
55.05515	45.5
57.03430	7.5
57.07074	5.1
59.05000	4.7
62.82168	3.1
65.03938	6.7
65.76060	3.0
67.05168	6.1
67.05508	72.4
69.03436	4.0
69.07076	31.6
70.23321	11.4
71.04990	6.7
71.08641	29.1
79.05048	6.3
79.05492	57.5
81.03418	15.1
81.07069	100.0
83.04983	9.7
83.08620	25.8
85.02914	5.2
85.06547	8.3
85.10191	8.5
91.05489	59.4
93.07056	66.7
95.04984	20.3
95.08618	60.2
97.02918	5.7
97.06537	10.0
97.10179	13.4
98.20842	4.1
99.08102	16.9
105.04666	3.9
105.07037	48.8
107.04967	13.6
107.08614	36.1
109.06535	11.4
109.10167	27.5
111.08136	7.5
113.09661	8.1
115.05469	4.7
115.18679	3.6
117.07047	21.9
119.05028	4.3
119.08596	38.1
120.51305	3.6
121.06532	11.5
121.10155	29.4
123.08089	6.1
123.11728	8.2
125.09646	11.2
129.06992	20.0
131.08585	31.7
133.06445	3.8
133.10129	20.4
135.08041	8.8
135.11711	13.9
137.09584	4.0
137.16730	3.5
139.11215	5.3
141.07005	4.7
142.07840	3.7
143.08572	13.1
145.10158	24.9
147.04416	3.6
147.11697	26.1
149.09714	8.3
149.13312	12.8
151.11201	12.6
153.12852	4.1
155.08571	11.5
157.10126	11.0
159.11729	8.4
161.09601	6.1
161.13263	10.1
163.11195	8.8
165.12701	4.0
169.10129	8.8
171.11720	8.3
173.13263	8.1
175.11188	6.1
175.14964	4.8
177.12794	13.4
183.11852	5.2
183.60085	3.6
185.13277	12.7
187.14806	5.4
189.11281	5.9
193.10045	3.9
193.12318	4.5
197.13278	6.3
199.14816	6.9
205.50223	3.8
211.15010	5.6
221.57709	3.6
223.13290	3.7
229.16025	4.2
233.15515	3.9
235.17001	4.3
247.17036	4.3
277.21692	23.7
295.22675	14.8
303.23151	6.6
329.24603	4.7
333.24463	4.0
335.25912	3.5
339.23370	6.6
341.24844	5.5
355.26416	10.4
357.24258	9.4
359.25912	7.8
369.19690	5.3
371.25876	4.0
373.27435	10.2
375.25217	16.2
383.22198	5.1
425.34207	4.5
435.32803	9.9
443.35159	5.0
453.33804	24.7
454.33987	3.8
471.34805	29.2
489.35739	57.2
507.28983	11.0
507.36920	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	507.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76141	1.0
53.03947	4.5
55.01873	1.1
55.05515	16.2
56.91637	1.0
57.03436	2.6
57.07079	43.9
60.97493	1.2
61.78913	1.0
64.61958	1.0
65.03944	2.4
67.05508	53.5
67.71205	0.9
69.07071	20.1
70.67045	2.6
70.67380	1.1
71.04998	2.2
71.08630	33.9
79.05493	28.6
81.03411	2.8
81.07057	66.2
83.04983	6.2
83.08617	23.5
85.06550	2.8
85.10185	21.3
91.05484	18.4
93.06470	2.3
93.07050	35.9
93.07637	2.1
95.04978	3.8
95.08611	39.2
97.06537	5.6
97.10183	8.0
99.08101	1.6
99.11764	1.9
105.04525	1.6
105.07032	6.1
107.08592	20.0
109.06536	1.8
109.10163	11.5
111.08097	4.7
111.11747	2.1
115.05455	1.1
117.06989	8.5
119.08564	1.4
121.06492	1.2
121.10140	8.0
121.97829	1.0
123.11700	7.8
131.08580	7.5
133.10126	7.5
135.08041	1.2
135.11697	6.6
137.13263	3.1
149.13260	20.1
159.11705	11.0
177.12674	5.2
195.13800	12.0
213.14893	1.8
233.15338	1.4
239.23721	10.6
251.16473	1.1
313.27588	1.4
373.27612	1.0
507.40485	100.0
508.40823	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01847	0.3
56.96572	0.3
57.03442	0.3
59.56229	0.2
61.02927	0.3
62.06078	0.4
68.09286	0.2
69.03436	1.2
70.06581	1.0
71.04978	0.5
71.54440	0.4
72.08142	0.4
73.02904	0.4
77.67992	0.2
77.96213	0.2
78.04711	2.4
79.05477	0.8
81.03411	1.5
82.06590	0.2
85.02911	3.8
91.05504	0.2
93.13783	0.2
95.04971	0.5
96.05769	0.3
97.02898	2.7
99.04456	3.4
103.03949	3.9
106.04160	1.0
107.04993	0.2
108.04475	0.6
109.02880	1.5
121.10180	0.2
123.04427	5.0
124.05176	1.3
127.03918	4.8
145.04945	2.4
151.03917	0.8
152.04652	1.5
163.05981	0.8
167.07039	100.0
168.07327	1.3
195.67102	0.2
271.08127	0.3
293.24384	0.2
298.65323	0.3
308.38739	0.3
323.51688	0.2
346.22266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13379	6.0
53.03934	11.1
54.77927	5.3
55.01862	10.7
55.05521	33.5
57.03439	8.0
65.16708	6.0
67.05505	52.2
69.07082	32.2
69.43031	44.6
71.04993	6.6
71.08637	6.0
73.27575	6.0
79.05515	40.7
81.03436	7.4
81.07066	77.9
83.08611	16.1
85.02924	27.4
85.06506	7.1
85.78541	6.6
91.05501	49.5
93.07049	40.7
95.04968	14.2
95.08625	32.7
97.02910	6.7
97.06521	20.9
97.10151	12.1
98.20724	6.6
98.45567	5.5
105.07030	28.8
107.04965	7.1
107.08578	37.8
109.06514	7.0
109.10123	11.8
117.07014	11.8
119.08582	18.7
121.06506	8.3
121.10155	10.9
123.08092	5.3
123.11752	7.7
125.09637	12.8
127.03979	6.9
131.08521	11.0
133.10136	32.1
135.11696	17.3
145.10112	8.9
147.11650	9.2
149.13264	20.7
151.11208	6.6
159.11678	24.3
164.07103	11.6
171.11703	7.7
177.12769	8.6
189.11284	10.5
195.13835	85.8
213.14883	70.6
235.16969	16.0
257.19028	14.5
275.20096	100.0
293.21155	23.4
309.91348	6.0
329.67780	5.5
385.48502	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.5
77.81429	0.4
79.49413	0.5
96.21954	0.5
98.97598	1.6
101.00903	1.9
116.98604	0.9
119.01948	4.6
134.99663	0.5
158.99890	1.4
177.00972	8.4
178.01079	0.5
185.47438	0.5
201.00845	2.3
216.98836	0.9
217.04018	3.0
218.98840	0.9
219.02036	21.4
220.02193	0.5
225.00822	2.9
232.96318	0.5
234.99933	2.2
236.00360	0.5
236.99745	1.6
240.98985	1.3
241.98923	0.8
242.99399	0.8
243.02014	13.4
243.43530	0.5
247.05994	0.5
258.99985	6.0
259.04141	0.5
260.00116	3.2
261.03091	100.0
262.00571	0.7
262.03229	4.1
263.03091	1.4
264.99097	0.6
275.04474	1.0
276.98096	0.8
277.01050	3.3
278.01102	2.3
279.00787	2.4
283.00018	10.1
284.00107	7.8
284.04718	2.1
284.99863	5.7
285.99826	1.1
300.97778	0.6
301.01059	12.3
302.01172	6.7
303.00879	6.5
304.01083	0.9
319.02100	0.7
343.02158	0.6
358.96573	0.8
359.00394	0.8
361.00098	1.8
366.99173	0.4
367.02249	4.1
379.97241	0.6
383.00037	0.7
384.00415	0.7
385.03320	24.1
386.03522	0.8
399.98676	0.5
401.01053	2.1
402.01691	2.4
403.00140	4.3
403.05081	17.0
404.04663	0.6
408.04938	0.6
425.01266	2.7
426.01538	3.7
427.01059	1.0
437.49680	0.8
437.99924	0.5
443.02405	3.6
444.02527	7.3
445.02228	1.9
446.00830	1.0
446.50201	1.1
447.00052	1.3
456.00507	0.9
456.50211	0.7
487.48993	0.7
487.99353	0.7
499.50238	0.7
499.99518	0.8
500.49554	0.6
501.97974	0.5
508.49936	0.7
509.03683	11.3
510.03589	0.8
517.50403	0.5
527.01202	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	509.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01871	1.0
55.05508	3.5
57.03436	1.0
64.96211	0.5
67.05507	6.0
68.99809	0.5
69.03425	1.5
69.07055	1.8
71.04989	1.1
73.02912	0.5
79.05500	5.3
81.03422	4.1
81.07056	5.6
83.04967	1.8
83.08618	1.3
85.02895	1.4
85.06595	0.5
91.05476	4.9
93.07055	5.8
95.04976	5.1
95.08607	3.2
96.97913	0.5
97.02889	1.0
97.06547	2.2
97.10155	3.1
98.21473	1.6
99.04478	0.6
103.05476	2.0
105.07026	3.5
107.04957	3.7
107.08616	3.1
109.02921	0.7
109.06544	2.4
109.10139	2.2
111.04472	1.6
114.53558	0.4
115.05509	0.5
117.07028	1.5
118.04187	0.6
119.08584	1.6
121.06530	2.1
121.10139	2.4
123.04500	0.6
123.08057	1.0
123.11784	0.7
125.09621	2.3
127.03914	1.1
129.07034	1.1
129.62024	0.5
130.04201	0.5
131.04932	2.4
131.08562	2.9
133.06509	0.9
133.10184	2.4
135.04414	0.5
135.08032	1.1
135.11665	1.7
137.05971	0.9
139.11157	0.8
143.08583	1.0
145.06517	0.9
145.10107	2.3
147.04413	1.3
147.08052	0.7
147.11720	0.7
149.05997	0.8
149.09659	0.7
151.11243	0.8
153.01826	3.0
155.08557	0.8
157.10104	0.7
159.11723	0.7
161.06030	0.5
161.09726	0.7
163.03937	1.9
163.11166	2.5
167.03442	1.7
167.10759	0.8
173.05980	0.7
173.09650	1.0
173.13248	0.6
176.04732	1.3
177.05516	0.9
177.12823	0.6
179.10599	0.6
181.12183	0.9
183.11783	0.6
187.03947	0.6
187.14822	0.6
189.09506	0.8
189.11250	1.7
191.07098	1.7
191.10722	1.6
191.14284	0.7
193.12166	1.1
199.13248	0.7
200.04741	1.2
207.10129	0.5
209.11726	2.2
211.13234	0.5
213.05489	4.5
213.12878	0.5
217.04991	2.6
217.52682	0.5
219.13844	2.1
227.12878	2.6
228.04195	2.6
229.04982	6.0
237.09090	0.7
243.06633	1.7
253.05110	0.9
254.05847	0.6
256.03760	10.2
256.07373	9.2
257.04459	3.6
258.05255	1.6
259.09720	1.1
265.14517	0.7
266.05673	0.6
267.06595	2.5
270.05280	1.6
271.06024	51.0
272.06784	11.2
273.17108	0.8
282.05362	0.8
283.06061	2.2
283.15347	1.1
284.06689	2.6
285.04199	1.1
285.07611	3.3
286.04739	7.7
293.17593	0.7
297.04105	0.6
297.07401	1.0
298.04773	0.7
299.05508	8.4
300.06293	30.3
301.07050	11.8
311.05579	3.5
313.07080	2.3
325.07092	0.6
335.09036	0.7
341.06659	1.3
359.09048	3.3
367.22650	1.2
385.23697	0.7
387.08646	0.9
417.23175	0.7
419.07639	0.9
421.09543	0.7
431.07425	0.7
432.08682	1.2
433.09402	2.0
447.07126	1.0
449.08722	0.8
450.09460	0.7
459.27554	1.6
461.08774	3.0
463.10345	1.4
465.11743	15.2
465.17477	2.3
475.10413	2.0
476.11292	1.2
479.13419	2.6
491.13797	10.9
491.26700	1.9
509.14542	100.0
509.27432	3.8
510.14920	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2751
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.09714	1.7
53.00312	4.2
53.03939	8.6
55.01873	11.8
55.05521	35.9
57.03442	13.1
59.05011	2.8
65.03950	3.8
67.05508	54.5
69.03430	7.6
69.07092	12.1
69.44875	14.7
71.04985	8.3
73.02948	1.9
75.32877	1.9
79.05054	3.5
79.05501	46.1
79.13248	1.8
81.03426	71.2
81.07064	56.9
83.04991	18.8
83.08629	34.8
85.02908	29.5
85.06534	3.8
91.05489	62.5
93.07046	43.7
95.04975	35.2
95.08611	17.5
97.02888	8.3
97.06538	7.8
97.10171	7.9
98.20759	2.8
99.00823	18.2
99.04501	2.4
103.05449	3.4
105.07037	51.3
107.04968	17.6
107.08604	20.2
108.04466	2.5
109.02883	13.4
109.06524	11.6
109.10122	10.2
111.04459	12.2
111.08075	16.7
113.05990	4.7
115.03939	2.4
117.07049	10.4
119.04922	2.8
119.08582	30.9
121.06516	14.5
121.10134	12.5
123.04445	3.8
123.11691	4.8
125.09643	5.8
127.03918	2.7
128.06250	3.9
129.07022	10.3
129.41345	2.1
131.08583	12.4
133.06499	4.6
133.10146	46.6
135.08066	4.6
135.11697	8.9
137.09631	4.8
139.07547	3.4
142.07819	5.4
143.08546	5.9
145.06451	2.8
145.10133	8.7
147.04404	2.1
147.08018	5.5
147.11700	14.7
147.29405	1.8
149.09608	7.2
151.11201	10.4
153.12785	2.8
155.08597	2.7
157.10127	12.1
161.09628	19.9
161.49030	1.7
163.11163	11.8
171.08058	5.5
175.11235	15.6
178.11253	1.7
179.10689	12.1
181.12221	4.0
189.09123	12.6
189.11070	3.8
191.10696	3.6
193.12256	65.1
197.11757	5.2
207.10242	6.7
209.11789	8.9
211.13306	60.2
219.13828	4.2
225.11261	16.7
227.12752	12.7
257.04361	2.3
267.15979	5.1
281.13864	5.2
283.15485	5.5
285.04318	2.2
299.15067	2.4
407.24384	1.8
411.04871	2.3
491.26398	7.3
509.27499	100.0
510.27673	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	509.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.2
55.01869	18.0
55.05521	47.3
57.03437	14.3
59.05032	4.3
65.03954	5.6
67.05511	100.0
69.03436	8.5
69.07064	14.3
71.01341	3.5
71.04985	13.4
71.55667	4.0
74.06026	4.1
79.05071	4.0
79.05504	55.8
81.03430	30.6
81.07066	56.5
83.01343	8.9
83.04985	20.9
83.08630	25.7
85.02916	14.1
85.06542	9.4
91.05482	45.2
93.07060	59.6
95.04970	33.8
95.08619	28.7
97.02892	6.5
97.06547	15.6
97.10180	25.4
97.68466	3.8
105.07042	26.3
107.04965	27.2
107.08644	31.0
109.02847	4.1
109.06537	22.5
109.10168	50.5
111.04456	11.8
111.08093	11.5
117.07040	14.9
119.08567	26.1
121.06517	13.2
121.10155	23.2
123.08108	9.4
125.09637	16.1
129.07031	8.6
131.08585	15.6
133.10143	15.0
135.08076	10.1
135.11708	22.2
143.08609	4.7
145.06450	9.3
145.10091	20.4
147.08052	6.3
147.11719	7.3
149.09639	7.8
151.11177	5.4
155.08580	5.6
157.10143	5.4
163.11186	28.2
167.10733	4.5
171.08066	5.0
173.09587	6.7
173.11697	7.5
181.12213	6.0
191.10754	6.5
191.14186	5.3
193.12267	10.3
199.13350	6.0
209.11687	12.9
219.13817	6.6
227.12787	12.7
235.11246	3.9
273.17163	5.3
283.15472	15.4
293.17413	6.2
300.98920	4.4
367.22662	14.4
385.23633	12.8
403.24805	6.0
437.25519	23.4
459.27408	14.3
467.20300	5.4
477.28958	4.2
485.12369	4.0
509.20291	5.5
509.27399	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	509.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03188	4.1
53.03946	14.8
55.01867	21.1
55.05512	68.1
57.03453	25.5
65.03942	6.3
67.05512	88.3
69.03432	10.1
69.07077	26.4
70.25729	7.6
70.26115	10.8
71.01369	5.1
71.05008	20.2
79.05067	6.0
79.05503	100.0
81.03434	34.6
81.07063	92.2
83.05009	23.0
83.08639	31.6
84.51930	4.2
84.97052	4.3
85.02891	8.5
85.06545	11.0
91.05492	60.1
93.07063	90.7
95.04980	88.7
95.08629	40.1
97.02933	6.6
97.06540	19.8
97.10175	39.1
99.04463	7.2
105.07034	44.4
107.04979	61.3
107.08615	45.7
109.06538	63.5
109.10169	22.3
111.04472	12.9
111.08067	9.1
111.51993	4.0
114.85172	4.9
117.07017	26.0
119.08602	24.7
121.06538	45.2
121.10165	40.5
121.13356	4.3
123.08053	12.8
123.11669	4.9
125.09628	25.6
128.06216	5.2
129.06987	14.7
131.04973	4.7
131.08600	37.5
133.06485	7.6
133.10063	20.3
135.08063	23.4
135.11722	20.5
137.09650	6.4
139.11217	9.5
141.07025	10.6
143.08629	11.4
145.06508	15.7
145.10179	28.4
146.43561	4.7
147.08086	10.7
147.11713	8.1
149.09642	19.6
153.01810	5.3
153.09160	5.3
155.08562	8.7
157.10092	10.5
159.08055	5.7
159.11737	10.4
161.09613	11.1
163.03952	5.8
163.11230	31.5
167.10695	15.8
169.10190	5.8
171.11630	6.9
175.07555	4.9
175.11176	6.0
177.12717	6.5
181.12227	9.5
187.14856	8.9
189.09059	4.3
189.11250	14.6
191.10667	10.3
191.14307	19.9
193.12302	12.7
199.13327	24.4
201.12714	5.8
205.10408	4.3
205.12280	12.1
209.11725	19.5
211.13373	7.5
215.14403	7.5
219.13867	49.6
223.13289	16.5
227.12733	32.0
233.15443	14.0
237.14900	14.7
257.04474	13.1
267.15811	7.6
273.14511	5.6
273.17236	24.1
275.16589	6.8
283.15298	9.3
286.04611	9.4
287.05518	7.0
293.17441	32.1
297.03937	6.1
339.23331	6.4
349.21619	21.4
357.24448	5.4
367.22757	50.3
385.23862	35.3
403.24753	18.4
417.26361	5.9
438.29480	4.6
441.26703	5.9
459.27420	52.4
477.28134	22.3
491.09863	4.6
491.30630	30.7
509.10818	33.9
509.27789	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.8
53.03941	4.2
55.01861	5.2
64.07001	1.7
65.03925	3.9
67.05473	2.3
68.89079	1.9
69.51829	4.0
69.52234	10.9
70.06583	4.8
71.75974	1.5
74.22888	1.6
75.04462	2.7
78.04700	3.1
79.05492	6.7
81.03379	2.2
81.07031	2.3
84.08118	1.7
85.02900	4.8
86.09721	1.8
89.06016	2.6
91.05486	39.4
93.03415	9.1
93.07026	6.6
95.04951	5.9
97.06546	4.3
98.97577	3.4
98.98207	1.7
103.05489	10.0
105.03384	7.8
105.07020	5.9
106.04176	16.3
107.04942	6.5
109.02771	1.6
109.06508	7.7
109.10103	1.6
116.67035	1.7
118.04193	2.8
119.04956	36.3
121.06499	26.3
123.04376	3.1
123.08089	2.2
125.06007	5.7
131.04930	13.2
132.05713	3.6
133.06496	4.9
134.03621	4.9
136.05254	2.8
137.05977	6.6
139.07607	1.9
147.04422	13.5
147.07999	2.7
148.05202	3.5
148.93324	1.7
149.05992	34.2
151.07556	16.9
153.09148	8.7
159.08098	4.0
160.05199	3.1
161.06004	31.9
162.06772	7.5
163.03944	2.4
163.07573	3.7
165.05432	3.6
167.07056	47.2
175.07616	10.7
177.05478	24.1
179.07042	19.2
180.07787	6.7
180.38669	1.8
181.08601	15.2
182.09398	2.5
187.07562	12.0
190.06262	4.6
191.07014	20.0
192.07845	7.6
193.08557	2.9
205.08606	40.6
209.08098	100.0
222.99113	2.4
223.04268	8.0
235.09589	10.8
241.00195	3.6
309.11279	3.5
321.11179	3.0
332.20767	2.0
339.08542	2.3
339.12308	4.3
341.14001	2.3
348.08682	2.8
348.12878	1.9
359.14850	3.0
371.14777	4.0
457.43335	1.8
484.45502	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	510.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01873	2.7
56.96552	0.8
61.90279	0.5
65.03953	3.1
69.91088	0.5
69.91639	2.1
70.06575	1.1
75.04498	4.0
75.94227	0.5
78.04715	3.1
79.05487	2.2
85.02905	2.5
89.03906	1.0
89.06030	1.2
91.05492	13.3
93.02826	0.7
93.03416	12.3
93.07050	5.1
95.04980	3.9
97.06542	3.5
98.97588	1.8
99.17137	0.7
100.72971	0.5
102.13430	0.5
103.05493	6.0
105.03378	0.7
105.04485	1.2
105.07022	1.1
106.04184	25.3
107.04971	1.6
109.06539	1.3
111.04414	1.1
117.03392	1.1
119.04948	5.3
121.06518	29.6
123.04438	1.2
123.08097	1.1
124.05252	0.7
125.06003	7.4
131.04945	1.0
133.02838	0.6
133.06522	0.8
134.03627	3.7
135.04381	0.9
137.05977	8.1
138.06705	0.8
139.07559	2.3
145.02824	1.4
146.05939	0.6
147.04398	4.7
148.05199	2.4
149.00533	0.7
149.05998	44.1
151.07536	2.6
152.08299	1.1
153.05444	1.6
153.09116	12.1
161.00679	0.6
161.06012	0.8
163.03900	0.8
163.07513	2.5
165.05475	1.0
165.09099	0.9
166.06203	1.2
167.07008	0.5
177.05486	23.2
178.00830	0.8
179.07004	1.1
181.08609	20.6
182.09013	0.6
191.07054	2.1
193.03238	7.4
209.08109	100.0
210.08357	1.3
234.25162	0.6
282.07828	0.8
306.92731	0.7
339.12286	1.2
407.42950	0.6
425.14853	0.8
466.14340	0.8
467.15811	0.8
510.12897	1.6
511.15817	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
56.05035	2.3
58.06594	0.7
60.05648	3.9
61.04120	0.5
69.00922	1.0
69.35165	2.2
69.35597	3.1
70.06597	7.3
76.26316	0.6
79.02991	0.6
79.69220	0.7
81.86040	0.6
83.06103	16.2
83.06604	0.9
84.04559	0.8
84.06891	0.7
86.03555	5.3
91.05488	2.3
97.07664	9.4
103.05462	1.1
105.03388	2.6
105.07053	3.2
107.04904	1.0
113.07146	1.0
115.08707	3.0
119.04971	0.6
120.04482	8.8
120.08128	0.9
120.84811	0.6
132.04459	2.9
133.06479	3.1
134.06006	4.7
136.05116	1.0
141.06587	6.2
146.06003	1.1
149.05992	1.5
151.07570	1.4
154.26082	0.7
158.05991	2.8
159.09166	0.7
161.06010	6.7
161.07170	0.9
167.06970	0.7
179.07050	2.3
187.08652	1.0
188.11824	1.0
193.08618	5.0
206.12872	1.7
209.08078	2.6
216.11331	100.0
217.11635	1.5
229.42015	0.6
232.10858	2.4
234.12379	37.6
260.10327	13.0
278.11325	2.7
288.13467	2.5
317.15979	2.0
319.17844	5.0
345.15582	0.7
363.16644	78.6
364.17001	2.2
381.17456	1.5
389.14557	2.7
418.02481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3038
Annotation	NKH477
Peak:m/z	Relative Intensity
50.44146	0.3
50.71214	0.3
51.96399	0.3
53.49184	0.3
55.01904	0.3
55.05508	0.5
56.96566	0.4
60.39839	0.3
67.05508	1.6
69.07051	0.5
70.08274	1.4
76.21152	0.3
79.05498	1.5
79.92335	0.3
81.03425	0.8
81.07058	1.2
82.84386	0.3
83.04974	0.7
83.08617	0.4
85.02901	0.4
91.05470	1.0
92.05813	0.3
93.07041	1.3
95.04976	1.0
95.08611	0.7
97.06564	0.5
97.10174	0.6
105.07008	0.4
107.04976	0.6
107.08610	0.8
108.08945	0.4
109.06479	0.6
109.10141	0.4
119.08578	0.5
121.10139	0.6
124.24410	0.3
125.09620	0.4
131.08606	0.4
133.10130	0.4
135.11650	0.4
145.10115	0.4
152.03165	1.5
163.03947	0.3
163.11238	0.4
164.11523	0.4
170.04274	1.3
179.93019	0.3
201.77498	0.3
207.94637	0.3
211.13261	0.3
220.14114	0.4
227.12897	0.6
228.13051	0.5
308.73529	0.4
333.23889	1.3
344.25574	0.4
345.24051	2.0
362.26675	2.8
363.24997	8.4
380.27798	0.4
381.26117	9.5
460.27408	0.4
462.28311	1.9
474.28357	0.8
492.29343	7.5
500.07486	0.3
510.30426	100.0
511.30811	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	510.3554
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
51.92556	0.3
52.59218	0.4
55.05524	0.8
56.05033	1.5
57.03456	0.5
57.07075	3.2
58.06350	0.5
58.06576	1.7
58.13942	0.3
60.08169	17.5
63.56920	0.3
66.48310	0.3
67.05513	1.1
69.07076	0.8
69.30618	1.2
69.31046	2.0
71.07379	6.5
71.08648	2.6
81.07067	1.3
83.08614	0.6
85.10185	1.1
86.09712	51.5
88.86743	0.3
95.08621	2.0
97.10179	0.7
98.20785	0.7
98.98482	4.6
104.10752	100.0
109.10152	0.7
109.82730	0.3
125.00016	29.1
130.70886	0.3
163.01546	0.8
181.02711	0.5
184.07355	95.6
239.23833	0.5
258.11078	1.0
313.27560	1.4
327.28946	1.7
338.27939	0.4
353.22766	0.3
433.27283	0.4
492.34509	8.4
510.35605	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85017	2.4
55.05522	2.8
57.06823	2.6
57.07082	34.5
67.05495	3.3
69.07053	5.5
70.75341	5.2
71.08292	2.4
71.08644	29.8
73.06559	4.9
76.73587	2.0
81.03416	3.6
82.06434	2.1
83.08600	3.8
85.10194	18.1
87.04469	3.8
87.73486	2.6
89.06042	100.0
91.05455	3.1
94.76553	1.8
95.06032	2.0
95.08642	2.6
97.10179	5.5
99.11741	2.0
117.61986	2.3
133.08607	48.5
133.10146	3.2
177.11212	17.6
195.12332	2.6
207.14391	1.9
211.24229	3.0
239.14874	2.6
276.51553	2.1
283.17517	19.3
291.34830	2.4
299.29407	6.0
492.37305	3.5
493.41162	11.0
510.37430	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	511.189
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81526	2.8
69.74183	16.2
70.06601	35.7
72.08161	20.2
74.27467	2.9
84.04505	18.9
84.27317	3.1
85.02862	3.0
96.03013	3.0
98.20715	3.5
100.02489	6.5
101.00894	3.3
102.04086	3.6
108.08112	5.2
110.04568	3.4
112.02496	3.7
114.04034	6.2
116.05634	7.0
116.07095	11.8
118.03519	3.8
119.01904	6.2
123.04089	8.0
124.02470	8.9
126.04006	27.0
127.07193	9.1
128.05605	16.6
128.90953	3.0
130.05025	3.1
130.07146	10.0
131.01979	4.4
132.05090	4.5
134.06628	5.3
137.10745	10.0
141.05084	12.2
142.03543	33.3
143.01878	3.6
143.06743	3.3
144.05064	45.1
145.03523	3.4
146.06641	8.8
148.08214	5.3
150.06189	3.0
154.07115	4.0
155.01811	4.8
155.10345	4.5
156.05072	8.5
160.04591	18.3
162.06079	3.2
170.06639	5.5
172.08228	25.7
173.02988	3.5
177.08801	8.2
179.10287	30.0
182.06633	3.4
183.13457	9.7
184.09669	6.1
185.02917	6.3
186.09836	6.9
187.05678	6.3
190.09299	5.0
193.08223	4.0
195.09789	59.1
197.11368	52.7
199.05717	2.9
199.90907	3.0
200.07780	6.1
201.14476	5.1
207.06149	9.1
211.09306	6.1
213.10883	48.2
215.12436	26.4
221.07700	3.0
223.09314	27.3
225.07170	3.7
227.10341	4.3
227.12492	6.1
231.12004	3.6
241.10361	100.0
241.12828	4.8
245.05157	13.8
245.11368	6.0
247.02963	3.5
249.10785	3.3
253.06755	4.6
253.10417	3.6
259.11423	27.0
260.12500	7.4
262.13986	4.5
267.04208	2.9
267.08130	13.7
271.11386	9.8
280.15070	3.7
285.09335	67.0
288.12119	8.9
294.16580	9.3
303.10364	10.0
306.12949	10.5
320.14465	5.3
331.05219	4.0
332.10962	3.5
338.15628	31.8
346.12350	3.5
352.13589	50.5
360.10446	4.8
364.13583	9.7
378.11328	4.1
382.14651	67.6
396.12576	76.8
405.19818	4.8
431.17886	7.4
439.14703	5.1
467.20062	4.0
475.16501	4.3
493.17697	4.9
511.19733	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	511.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.1
56.05026	2.1
56.96572	1.5
59.12143	1.2
63.50324	1.2
68.04507	1.4
69.03434	3.8
69.22852	10.5
69.23257	2.5
70.06250	2.5
70.06599	33.2
71.05001	1.7
72.07790	2.4
72.08159	23.8
77.00894	1.7
81.03429	2.3
82.01429	1.7
82.99843	2.3
83.06062	1.2
84.03019	3.0
84.04510	17.4
85.02905	7.8
86.00930	1.7
96.02982	2.0
97.01430	1.5
97.02920	3.1
98.04580	1.9
98.20776	2.9
98.97583	5.2
100.02485	3.9
101.00882	27.2
102.04026	3.4
103.02462	1.9
104.01931	1.6
105.14781	1.6
108.02991	2.1
108.08121	4.0
109.02953	1.7
110.04544	4.3
110.09641	1.5
110.97594	1.6
112.02478	3.3
112.06074	2.1
113.00872	8.7
114.04037	5.4
115.02448	2.8
116.05611	13.4
116.07084	16.8
116.98613	1.7
118.03526	7.3
119.01921	30.3
120.02131	1.4
122.09623	1.7
123.04066	4.8
124.02467	5.7
125.65126	1.3
126.04018	25.0
127.02489	2.9
127.03962	2.7
127.07201	8.1
128.05585	19.4
129.03964	1.8
129.05171	1.3
130.03531	2.9
130.05029	4.5
130.07132	9.9
131.00209	2.2
131.01907	20.1
132.05043	5.7
133.03490	5.6
134.06633	5.1
135.09204	2.4
136.04581	2.9
137.00858	1.3
137.03008	3.2
137.10728	12.4
139.02397	2.2
139.12294	2.5
140.02324	1.3
141.05099	9.1
142.03503	36.5
143.01900	34.4
143.06693	2.5
144.05067	54.7
145.03477	13.7
145.04602	1.6
145.05093	1.5
145.08237	2.7
146.06647	10.0
147.01366	3.4
148.08188	5.9
149.02960	2.1
150.06056	1.8
152.05602	2.1
153.08720	2.1
154.07159	4.2
155.01903	17.5
155.10297	6.4
155.11673	2.0
156.05078	7.6
157.03494	12.6
158.99640	3.9
159.05032	3.0
159.06236	2.3
160.04573	22.9
161.01674	2.2
161.02972	22.3
162.06111	3.1
163.04495	2.1
167.01927	9.5
167.10326	2.6
168.08707	2.9
168.99817	12.1
169.03265	2.7
169.04590	7.9
169.11819	1.9
170.06607	8.2
171.05052	3.8
172.06772	2.6
172.08200	26.2
172.99367	1.6
173.01505	2.2
173.02963	23.0
173.11357	1.9
174.06177	3.2
175.04565	2.9
177.08765	5.0
178.04839	8.5
178.55086	1.5
179.01926	4.7
179.10289	34.2
180.99779	1.6
181.08258	2.3
181.09772	3.1
182.06647	3.8
182.08109	3.4
183.01401	1.9
183.11320	5.9
183.13431	11.0
184.08188	4.8
184.09717	7.1
185.02953	34.9
186.06099	3.3
186.09796	7.2
187.00893	9.1
187.04382	3.2
187.05835	3.3
188.07593	2.5
190.09245	7.9
191.03926	4.6
193.08247	7.2
195.09798	64.9
196.08202	3.3
196.99405	9.0
197.02982	10.7
197.11372	54.0
198.09790	2.2
199.00952	2.9
200.07677	7.9
201.02434	3.9
201.12523	1.8
201.14473	7.5
202.09261	3.4
203.04045	14.3
204.10838	4.8
207.06177	8.8
209.07524	3.2
209.09268	2.7
211.04857	1.4
211.09273	6.2
213.02539	2.2
213.10854	52.8
214.09306	2.3
215.00401	23.4
215.03876	8.9
215.12425	32.4
219.01727	3.3
219.03600	3.0
221.05113	9.4
221.07559	1.8
223.09279	20.2
225.07205	3.6
226.05606	1.5
227.04025	8.8
227.10223	6.9
227.12439	4.8
228.08810	1.6
229.01953	11.0
231.03525	2.2
231.11899	1.5
239.08716	5.7
241.01950	4.5
241.10347	100.0
242.10129	2.0
245.05070	76.7
245.11304	8.6
246.05132	2.0
247.03001	19.2
249.10875	3.0
250.07106	5.9
253.06778	1.6
253.10364	5.8
257.05130	6.2
257.09772	2.4
259.03134	10.3
259.07495	12.5
259.11435	35.0
259.57773	2.5
260.12503	8.8
261.02835	1.8
262.14032	4.0
263.06149	8.9
264.12085	2.4
267.08179	10.3
271.03094	7.0
271.07806	2.9
271.11340	7.6
275.06125	9.1
277.04019	3.6
279.11841	1.5
280.11807	1.9
280.15033	4.3
281.07138	6.3
285.09326	57.3
285.12497	3.1
288.11868	11.0
289.04037	9.4
290.13461	1.6
292.15054	1.6
293.07181	3.1
294.16602	12.4
299.02484	8.2
299.07199	4.4
303.05743	2.1
303.10379	14.2
305.07172	5.3
305.10800	3.7
306.13062	10.3
315.20273	2.1
317.07999	2.5
319.08722	4.3
320.14700	3.8
323.04800	1.9
324.14072	5.0
331.05157	25.7
332.10797	4.0
335.08243	2.8
337.08209	1.8
338.15631	31.4
340.10181	1.8
341.18234	1.9
346.12421	3.4
349.06161	27.1
352.13547	50.7
360.10416	2.2
361.20557	2.0
364.13507	9.8
365.09207	4.7
370.14545	3.4
378.11383	6.2
379.10574	3.4
379.21857	2.2
382.14661	72.7
383.14563	1.7
387.19028	2.6
396.12549	71.0
405.19797	6.8
414.13498	4.7
426.65335	1.5
431.17825	5.7
467.19897	4.3
475.16656	4.0
493.10303	3.3
493.17874	3.9
511.11420	9.0
511.18774	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	511.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27468	0.9
53.03945	2.8
53.92218	0.9
55.05505	2.8
55.51878	1.0
56.96558	2.3
57.03438	2.7
61.02928	1.3
66.88123	1.0
67.05506	2.5
69.03432	5.1
69.07056	1.2
70.06588	2.4
71.04989	4.2
79.05511	2.7
81.03418	8.3
81.07057	2.5
83.04987	2.8
84.04532	1.2
85.02882	4.4
85.78070	1.1
91.05486	2.7
93.07065	1.0
95.04939	1.2
97.02908	2.5
97.06512	2.8
98.97572	3.3
99.04467	13.0
103.03940	4.3
105.07033	2.6
109.02888	6.8
111.08054	1.2
117.05518	2.8
119.08618	1.4
121.10176	1.7
127.03949	5.8
133.10179	1.5
136.06206	1.6
145.07573	5.2
147.08075	1.8
147.09184	13.3
159.09164	9.1
160.09897	1.5
163.03958	2.2
167.07053	1.6
175.08760	2.0
185.10779	3.5
187.08708	2.0
189.10236	3.5
191.08179	59.8
197.10754	1.7
199.12315	2.4
201.10217	2.4
203.11755	1.4
216.07686	8.6
225.10210	1.6
227.11809	1.6
229.13574	1.1
243.11427	2.0
245.09204	1.7
245.12926	5.0
259.09653	1.6
263.13947	6.2
271.10718	4.0
272.70102	1.2
281.10703	1.1
289.11899	7.1
305.14783	1.6
306.14526	2.0
307.12909	31.7
324.15555	1.5
345.18048	1.5
347.15887	1.3
350.13342	3.2
389.17160	8.4
398.88803	1.1
406.19379	1.3
415.15036	2.6
432.17630	2.8
433.16217	2.5
450.18546	3.3
451.17133	11.1
467.16391	1.3
476.16803	2.1
494.17786	100.0
495.18076	1.7
511.14908	6.1
511.21478	3.2
511.27951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60435	2.3
53.03951	4.3
54.34787	2.0
54.84132	2.0
55.05516	10.3
57.03437	16.6
61.02929	17.7
67.05512	25.7
69.03430	8.5
69.07067	5.6
71.55479	2.7
71.55889	2.8
73.02927	7.0
79.05501	23.2
81.03428	15.3
81.07070	23.1
83.04979	7.3
83.08636	6.8
85.02897	16.2
85.06585	2.9
87.05289	2.1
90.85199	2.0
91.03970	8.2
91.05495	29.2
91.38576	2.1
93.07048	26.1
95.04985	7.5
95.08618	14.1
97.02890	12.2
97.06538	6.9
97.10166	2.5
98.79633	2.3
99.04465	7.3
101.02434	2.5
105.07035	22.0
107.04964	3.8
107.08564	13.4
109.02869	3.0
109.06533	5.4
109.10188	10.6
110.16887	2.3
111.08047	2.7
117.06976	11.6
119.08590	16.5
121.06499	3.8
121.10138	11.7
123.08080	3.0
127.03914	5.4
129.07024	5.3
131.08583	13.1
133.10136	13.5
135.11739	4.1
143.08655	3.2
145.04938	3.3
145.10155	9.7
147.11705	5.1
149.09639	3.1
153.01862	4.3
157.10118	3.3
159.11708	4.3
163.11224	2.7
173.13268	4.0
185.13309	3.2
191.10660	2.9
201.16487	4.7
203.14417	2.8
211.13518	2.5
219.17465	100.0
275.20090	16.3
283.15295	4.4
301.14465	4.8
308.22238	2.9
349.23746	13.9
435.14066	3.6
493.27835	3.0
511.20743	3.4
511.28830	34.6
529.51050	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	6.0
51.78182	2.7
52.83111	3.1
53.03939	9.1
53.38603	3.0
55.01874	17.0
55.05515	48.3
56.29018	3.2
56.96548	5.5
57.03442	19.8
59.04988	3.4
65.03934	3.6
67.05507	100.0
69.03435	14.9
69.07067	34.7
70.06580	4.4
71.04997	12.1
71.55484	4.2
73.02925	3.9
79.05496	94.4
79.05965	5.2
81.03420	91.5
81.07067	91.0
83.04988	45.2
83.08626	40.0
85.02911	26.3
85.06561	5.4
91.05489	84.8
92.05820	3.2
93.07050	71.0
95.04968	58.3
95.08620	40.7
97.02885	16.7
97.06541	43.2
97.10171	26.3
99.04492	6.2
103.52145	3.3
105.07046	43.9
107.04958	31.6
107.08598	41.4
108.12085	3.2
109.02883	6.3
109.06529	12.5
109.10145	22.6
111.04452	35.9
111.08083	17.3
113.06017	4.4
115.05430	5.0
117.07021	21.6
118.96797	2.9
119.04937	4.2
119.08597	41.0
121.06511	11.9
121.10146	49.6
123.04469	9.2
123.08057	9.1
123.11725	7.8
125.06021	8.1
125.09657	14.1
127.03929	5.2
128.06209	3.3
129.07013	21.1
131.04939	4.7
131.08589	34.6
133.06512	6.2
133.10127	27.6
135.04425	3.7
135.08090	10.4
135.11711	23.2
137.06055	6.4
137.09616	6.5
139.11197	15.3
142.07736	5.7
143.08644	6.1
145.06448	6.5
145.10106	22.0
147.08051	11.9
147.11720	32.5
149.09610	25.5
153.01842	4.2
153.09099	7.7
153.12700	7.9
155.08585	8.0
157.10144	16.7
159.04356	3.6
159.11769	3.9
161.05914	3.2
161.09544	5.1
163.03923	14.6
163.11206	33.3
165.09174	3.1
165.12735	8.8
167.03429	7.9
167.10786	6.1
169.10204	4.4
171.11696	3.1
173.09636	16.0
173.13205	3.3
175.11157	18.8
181.12236	19.2
185.09569	3.8
187.03986	5.2
189.11226	8.5
191.10701	20.8
193.12250	68.7
203.12619	5.2
207.13812	3.4
209.09694	4.6
209.11673	33.2
211.13298	79.6
221.15320	4.4
227.12770	21.5
229.14395	5.5
231.13876	6.0
235.13330	14.1
241.08701	3.5
247.13254	3.8
249.14896	9.4
259.15503	5.9
265.14441	22.5
267.15958	15.2
268.67227	3.7
275.19836	3.4
283.15485	25.7
285.16995	6.8
301.16400	3.7
319.15552	6.4
337.21515	5.2
355.22690	10.0
365.21246	7.1
373.23734	5.6
383.22269	24.3
401.23254	35.1
419.24347	25.8
421.25946	4.1
449.15833	7.2
475.26868	18.4
493.18350	3.0
493.20737	5.2
493.27838	49.1
494.28476	3.8
511.11914	5.6
511.20346	33.1
511.28955	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.7
57.07082	15.7
58.06599	1.4
67.05495	1.9
69.07078	2.4
69.22620	3.0
69.23030	0.8
70.06600	13.2
71.08642	7.4
73.02917	1.3
74.70874	0.6
81.07061	1.9
83.08622	2.2
85.10184	3.3
88.07639	18.5
89.06037	1.8
95.08613	3.4
97.10183	1.4
98.21651	0.8
102.09190	14.0
106.08669	0.5
109.10172	1.0
129.00420	0.4
133.08636	1.0
134.48331	0.5
212.23734	0.4
227.70511	0.4
228.23244	4.1
253.71674	0.5
256.24280	0.4
256.26379	39.4
274.27499	4.1
283.26346	43.7
284.26422	0.4
310.53378	0.4
311.29477	4.6
321.66412	0.4
327.20251	0.8
512.50433	100.0
513.50781	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	513.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93120	0.8
53.03954	8.7
55.01861	1.0
56.05035	0.9
56.96582	1.3
63.08113	0.9
64.25025	0.7
67.05512	0.9
69.03436	2.2
69.38107	6.4
69.70332	0.7
70.06610	4.0
72.08179	1.0
81.03425	37.9
81.07065	1.7
84.04477	0.8
84.08141	2.6
85.06578	0.7
86.09707	2.1
93.07039	0.7
95.72020	0.7
97.02884	2.6
97.06500	1.0
98.97600	2.5
99.04446	2.9
105.07066	1.4
109.02892	100.0
115.05502	1.3
116.98679	1.0
120.08108	1.0
121.02935	1.3
124.05220	1.3
127.03904	2.7
133.10143	0.9
137.05986	1.7
151.03877	1.0
160.05185	2.1
161.05977	1.1
163.03951	1.7
163.11205	0.9
175.07571	5.9
194.07355	1.7
201.05479	2.6
205.06563	3.2
218.05818	1.9
219.01782	1.1
219.06566	3.1
219.08347	1.6
220.05243	8.1
221.05974	1.0
222.06781	5.1
231.04205	0.8
233.06120	1.0
233.08194	4.1
234.06801	2.4
235.07561	17.3
237.02806	1.0
237.05441	1.9
237.09116	13.0
239.07178	0.9
239.09529	0.9
245.04494	5.2
247.07643	1.7
248.04852	3.6
249.05505	2.1
250.06267	3.8
251.07030	1.3
252.07938	1.2
263.02750	0.9
263.07089	19.8
264.07764	1.8
265.05084	4.9
265.08627	20.9
266.09329	1.1
271.09790	1.1
279.06500	2.2
280.07324	8.1
281.07980	1.4
282.08899	1.3
291.06580	5.5
293.04468	0.9
295.09485	1.1
297.07932	1.0
297.11200	10.7
299.09259	0.9
307.06155	2.1
308.06781	4.1
309.07605	2.1
309.11115	0.8
313.10797	3.0
322.08240	4.8
323.09158	82.6
324.09433	1.6
327.08734	1.4
335.09308	1.7
340.09454	25.4
341.10284	12.6
427.16525	9.4
431.11261	4.6
449.12360	18.3
469.17911	1.0
485.14755	1.1
513.13721	4.4
513.19257	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	513.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59775	0.4
66.30052	0.4
69.40743	0.4
69.86931	0.9
69.87318	0.9
70.06593	0.7
74.24164	0.4
109.28933	0.4
111.27596	0.4
126.66869	0.4
137.65181	0.5
158.50554	0.5
167.07025	1.7
169.04738	1.1
185.04269	2.3
191.03152	0.5
206.05553	4.9
207.06310	2.9
219.75305	0.4
233.35155	0.4
264.05905	0.5
267.08652	0.9
269.06516	0.5
329.08478	5.4
335.55737	0.4
369.11581	2.3
451.15750	4.0
453.13727	3.6
513.15845	100.0
514.16467	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	513.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	26.9
69.03438	1.5
69.72578	5.1
71.95261	1.4
74.97638	1.4
84.96033	5.0
85.02908	1.5
98.20735	1.7
98.97591	86.4
109.02879	4.3
112.99148	7.3
116.98631	25.0
121.06583	1.4
128.98651	1.7
131.00198	7.8
134.99652	2.9
140.00296	1.5
140.98711	1.5
141.02251	14.9
143.00177	1.6
149.01234	4.6
157.01733	1.5
158.99667	6.0
159.03278	6.5
162.99184	1.4
173.01247	4.8
173.52592	1.2
177.00760	4.4
177.05582	1.2
191.02310	3.8
193.05287	1.3
201.00790	2.0
201.18359	1.1
205.05365	1.3
207.03413	1.2
207.07014	5.6
213.07927	2.3
219.01822	1.8
221.08459	11.5
225.08041	5.2
235.07069	1.3
237.07973	3.7
239.09578	19.0
247.10063	2.3
249.08014	71.3
251.05894	4.4
253.07597	3.2
257.10660	1.6
263.09579	6.3
265.11130	52.8
267.09067	21.5
275.09576	1.8
281.10696	2.5
283.12192	28.0
289.11130	2.4
290.10779	1.7
291.09064	3.5
307.12198	100.0
321.10352	2.5
321.13785	13.0
323.09207	2.9
325.13251	8.8
348.15094	1.4
349.13248	10.1
361.13528	1.4
427.16409	5.1
469.17947	2.5
495.16452	5.4
500.83124	1.4
513.17389	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	28.7
60.04524	3.0
67.05508	2.8
69.81676	10.7
70.06599	17.9
70.62644	2.3
71.95306	2.5
72.08151	5.4
80.85584	2.1
81.03414	3.2
84.08155	18.3
84.96036	10.7
86.09710	2.2
95.04992	6.8
97.06516	2.2
98.20823	2.8
98.97590	100.0
105.07098	2.4
107.08611	2.4
109.02880	8.3
110.85601	2.0
110.97564	13.8
112.99126	13.0
116.98636	24.9
124.54514	2.0
124.99094	2.3
128.98622	7.8
129.10246	4.5
131.00175	13.2
133.10110	2.9
134.99623	3.8
136.07611	4.6
140.98572	3.7
143.00224	4.7
144.98260	2.0
146.99623	3.2
147.29967	2.0
149.01224	2.8
149.13213	2.0
158.99651	25.4
170.99698	3.5
173.01224	13.1
177.00726	11.9
181.05373	2.5
191.02307	4.8
191.14348	3.0
197.04799	2.7
201.00795	4.2
213.08063	3.2
219.01741	20.2
221.08528	6.4
237.02840	14.6
239.09532	10.8
247.10001	3.7
256.02737	2.1
257.10574	5.7
265.11066	17.0
281.10620	4.9
283.12177	16.4
285.17072	2.0
289.11072	11.1
297.11279	2.5
299.11829	2.9
301.13226	5.5
307.12164	25.7
311.11795	3.3
321.13663	3.2
323.09277	5.9
325.13235	17.9
349.13312	6.1
367.14374	6.3
409.15515	9.5
427.16428	90.1
445.17529	24.3
451.16580	2.6
469.17709	28.7
487.18661	10.8
513.17395	73.1
514.18042	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	513.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09954	0.7
66.73650	1.0
67.05502	1.3
81.07036	2.0
84.08146	1.8
91.05492	4.3
92.78932	0.7
93.07043	0.9
93.71938	0.7
95.08603	1.0
97.02897	0.7
101.34802	0.7
102.75799	0.8
105.07018	2.9
109.10101	0.8
119.70510	0.7
121.06514	14.3
129.06989	0.7
133.06479	1.2
143.08531	1.1
147.08107	1.0
155.08540	0.9
171.08080	2.1
195.08063	0.9
203.08583	0.9
205.10109	0.9
206.07333	1.0
208.08836	1.6
210.10507	1.0
215.08571	3.5
219.08008	1.8
219.11713	0.7
220.08800	2.2
221.09714	1.4
223.11177	5.2
229.10074	2.0
230.10912	3.8
231.11514	0.9
232.08755	2.8
233.09702	3.1
234.10455	2.9
235.11200	6.4
238.09900	8.7
240.09331	1.2
243.08038	1.1
245.13287	3.9
247.11234	5.8
248.11984	8.0
249.09094	1.8
249.12769	4.9
250.09909	1.7
251.10707	2.9
253.12251	9.3
257.09567	1.0
258.10446	16.6
259.11252	4.1
261.09152	10.7
261.12872	1.2
262.09839	1.3
263.10980	2.1
263.14343	6.2
265.12204	2.0
273.12753	21.9
275.10742	4.6
276.11481	36.4
277.12250	1.7
283.26300	0.9
289.12167	1.0
290.13562	0.9
291.13812	100.0
292.14084	1.5
432.66544	1.0
463.48337	1.0
512.50171	2.3
513.24011	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.7
54.73822	3.8
55.05499	17.7
57.03428	14.0
60.83418	4.0
61.02917	17.3
66.40289	4.2
67.05511	50.0
69.03427	11.6
69.07050	17.3
70.04749	21.7
71.04993	4.7
73.02901	13.0
79.05499	39.0
81.03441	10.6
81.07061	40.9
83.04964	5.0
83.06421	4.9
83.08606	9.7
85.02920	23.0
91.03954	5.7
91.05495	38.6
93.07058	57.6
95.04956	7.9
95.08615	33.7
97.02898	9.4
97.06487	5.8
98.20821	5.4
105.07028	38.4
107.04992	4.9
107.08614	39.9
109.10143	9.9
117.07052	10.9
119.08591	36.6
119.69846	4.1
121.10152	27.4
123.08101	5.1
129.07011	8.6
131.08546	17.4
132.81360	4.3
133.10133	34.5
135.11691	21.8
143.08569	8.3
145.10098	20.4
147.11734	24.2
149.13232	18.3
157.10149	7.4
159.11696	18.6
161.13225	26.6
163.03928	7.3
163.14796	5.1
169.10188	5.3
171.11696	10.4
173.13348	8.3
174.36159	4.5
175.14897	11.3
176.55727	4.5
179.14366	6.3
185.13249	6.6
189.12723	5.1
241.19521	17.2
259.20627	45.0
261.09091	5.5
276.11261	4.5
277.21637	12.5
291.13834	17.4
333.24304	10.0
349.23837	5.3
351.25320	100.0
373.15942	5.0
441.26169	7.2
495.29187	6.2
513.16797	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.5
56.96538	9.7
57.03438	16.3
61.02915	25.1
67.05521	69.8
69.03421	11.4
69.07056	25.5
71.04967	8.2
71.11059	18.7
73.02917	13.6
74.90478	8.6
79.05504	46.9
81.03439	8.6
81.07068	72.2
83.04964	8.3
83.08637	9.8
85.02911	35.1
87.00117	7.5
91.03951	15.4
91.05504	54.7
93.07059	78.3
95.08620	54.9
97.02885	23.5
97.06544	12.8
105.07069	69.4
107.08596	30.8
109.10164	28.4
117.07015	14.1
119.08589	45.8
121.10141	30.6
129.07013	17.3
131.08553	31.2
133.10141	38.9
135.11681	26.0
143.08623	10.2
144.11490	10.1
145.10129	34.2
147.11722	33.9
149.13286	16.8
157.10104	10.5
159.11670	23.7
161.13327	22.5
171.11728	18.1
173.13263	12.2
175.14844	15.5
194.02771	8.3
213.27583	7.4
221.09444	9.9
223.11192	24.5
241.19516	20.2
251.10725	13.9
253.12219	14.1
259.20517	53.0
263.10764	12.1
265.12299	12.1
271.20731	8.1
275.20306	11.8
277.22079	9.1
295.93884	8.7
339.08295	10.4
349.24036	9.1
351.25333	100.0
498.21896	28.0
502.84076	9.7
513.24146	39.7
515.02911	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	17.6
55.01871	11.9
55.05518	47.1
56.96561	10.1
57.03434	39.6
58.83233	5.4
60.27089	6.1
61.02933	33.9
65.03937	8.3
66.91225	5.3
67.05509	100.0
69.03432	36.9
69.07076	34.0
70.06586	5.8
70.84491	12.5
70.84830	11.2
71.04991	14.7
71.08630	14.0
73.02909	16.7
79.05495	84.6
81.03416	37.3
81.07061	95.3
83.04989	12.9
83.08622	30.4
85.02911	44.2
85.06535	8.1
91.03944	19.0
91.05484	68.2
93.07050	89.0
95.04977	19.0
95.08612	75.8
95.41350	5.4
97.02904	41.8
97.06520	18.6
97.10181	13.7
99.04446	12.7
99.08109	14.5
101.02386	11.9
103.03952	10.3
105.07049	58.4
107.04919	9.3
107.08595	70.0
109.02889	14.6
109.06512	10.1
109.10169	41.4
111.08076	11.5
117.07032	24.9
119.08584	53.9
121.10138	54.6
123.06159	7.6
123.08057	7.8
123.11726	9.2
125.09637	14.2
125.29852	5.7
127.03925	18.2
129.05536	6.2
129.07022	12.6
131.08565	34.5
133.10138	38.3
135.08067	7.8
135.11737	37.2
143.08565	11.7
145.04922	9.7
145.10152	21.3
147.11691	32.2
149.13283	31.0
157.10117	13.7
159.08017	7.7
159.11693	30.4
161.13248	22.6
163.14795	9.2
165.12721	8.0
169.10201	6.2
171.11720	11.6
173.11731	8.3
173.13171	12.9
175.14853	7.9
178.55840	7.0
179.14299	44.2
185.13264	7.2
187.27509	6.5
193.12093	7.2
220.08939	6.8
235.17133	6.5
241.19571	12.7
249.09253	8.9
249.84132	7.0
251.10622	7.8
259.20630	35.8
263.10803	14.9
277.21646	67.7
289.12357	7.2
333.24149	6.7
351.25397	63.2
366.00842	6.9
403.96088	6.0
421.25592	6.5
495.19388	7.8
495.29709	7.7
511.72937	6.6
513.20111	5.6
513.29968	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	514.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	5.2
67.05490	3.7
69.03404	3.6
69.20451	26.3
70.06586	2.9
72.70884	2.3
79.05502	10.0
81.03424	94.4
81.07055	7.0
83.04992	2.7
83.08620	25.1
85.02908	3.5
86.09715	2.6
87.11678	2.2
91.05495	15.1
93.07047	6.8
95.04971	29.7
97.02927	4.4
97.10156	2.6
98.21547	4.4
100.88801	2.7
105.07022	10.2
107.04993	6.0
111.08068	12.7
113.28144	2.7
119.07790	2.4
119.08559	13.4
121.10159	6.9
123.04362	3.1
125.09714	3.0
129.07004	8.6
131.08542	8.3
133.10165	4.6
145.10025	2.7
147.08051	3.0
147.11679	9.1
149.09674	5.1
157.10121	9.3
165.12776	3.6
168.05968	2.5
175.11197	16.1
193.12248	88.7
211.13287	5.6
235.13382	3.2
267.15912	48.9
285.16992	100.0
309.17093	9.2
313.11911	12.9
373.13989	23.9
514.16962	4.2
518.78284	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	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84193	3.9
55.05513	5.2
57.03436	6.1
67.05505	8.5
69.76906	9.0
69.77322	13.3
71.57384	3.8
79.05480	10.9
81.03428	100.0
81.07065	4.7
83.08621	24.1
85.02934	4.2
85.11623	3.9
91.05476	12.3
93.07084	5.3
95.04991	29.1
95.08609	12.5
104.51140	4.1
105.07030	6.7
107.04968	5.0
107.08577	6.1
109.02844	3.9
111.08104	17.3
119.08581	10.1
129.07028	5.5
131.08577	13.1
133.06461	5.5
133.10094	8.0
134.50247	4.0
138.37244	4.3
140.52856	5.1
147.11703	6.0
149.09618	6.2
157.10115	12.5
164.10724	8.3
165.68771	4.6
175.11220	15.2
192.10315	5.9
193.12253	91.4
246.22110	4.3
253.09708	5.0
267.11414	8.1
267.15942	55.1
285.16995	86.1
309.16922	12.4
313.11795	35.4
323.12439	10.2
341.11151	13.7
373.13922	60.0
430.19540	4.1
514.22009	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82996	2.3
55.01861	3.5
59.05007	2.6
61.02922	6.1
61.31843	2.7
67.05495	5.4
68.99802	3.5
69.03420	7.2
69.29284	4.6
69.29691	18.7
71.05004	3.6
73.02924	4.8
79.05480	3.8
81.03408	10.6
81.07047	4.1
83.08084	2.4
85.02906	24.4
87.00824	11.1
91.05486	5.5
93.07040	3.2
95.04964	4.3
97.02896	8.8
97.06529	9.4
98.21534	5.2
103.03920	7.4
105.01865	5.8
109.02866	3.4
109.10125	2.8
127.03924	8.7
129.01845	6.6
139.62915	2.5
145.02846	2.5
145.04945	3.8
147.02896	2.9
147.04446	5.8
159.02866	4.0
177.05435	5.4
195.08119	3.0
203.08585	2.8
218.07399	4.9
232.08803	5.5
233.09636	17.1
234.10431	5.8
237.09071	3.1
243.07951	2.5
246.10399	3.6
247.07506	3.7
247.11211	4.7
248.12042	14.7
249.12679	5.8
250.09924	3.9
251.10632	8.9
252.11330	11.1
258.10406	5.9
261.09082	15.6
261.12747	5.9
262.09946	6.8
262.13370	2.4
263.10770	2.7
263.14258	12.0
264.11435	4.6
265.12225	9.0
266.12943	9.4
267.13651	20.1
271.11124	3.4
273.12845	3.5
275.10788	5.4
276.11487	25.0
277.12228	10.6
285.09366	3.0
287.14490	3.7
289.12207	3.6
290.12875	3.2
291.13803	100.0
303.13815	10.7
305.15259	3.9
309.14804	23.0
315.13651	3.7
329.15442	4.8
333.14737	17.6
357.14728	11.9
375.15994	19.5
383.11261	2.7
515.18390	4.3
544.11035	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	515.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
57.03431	3.6
61.02918	7.7
65.41299	1.8
68.99776	5.8
69.03418	6.7
73.02916	3.9
73.69053	1.8
81.03422	6.4
81.07052	3.2
85.02911	21.9
87.00838	10.2
91.04001	2.1
97.02918	8.7
97.06544	3.0
99.04450	2.2
103.03954	8.9
105.01879	4.6
105.07021	2.7
109.02878	6.8
127.03901	10.7
127.25866	2.2
129.01846	5.6
145.02815	3.1
145.04955	2.6
147.02907	5.0
159.02905	4.2
163.03862	2.2
177.05467	4.3
189.03920	4.1
218.07207	2.7
219.07948	3.8
219.11565	2.1
220.12433	2.1
232.08820	5.3
233.09592	12.0
234.10411	6.2
235.11099	3.2
237.09065	3.0
238.09848	2.8
243.08209	3.2
245.13153	2.6
247.07391	3.0
247.11229	7.4
248.12016	14.9
249.09100	3.4
249.12766	5.4
250.09824	4.1
251.10629	5.1
252.11241	3.3
253.12317	2.3
257.09598	2.4
258.10367	3.5
259.11179	3.2
261.09134	11.8
261.12659	5.9
262.09885	8.1
263.10944	2.8
263.14337	13.2
265.12177	5.6
266.12979	5.7
267.10257	2.3
267.13693	12.2
272.11984	2.3
273.12677	6.4
275.10617	4.9
276.11447	33.3
276.20172	1.9
277.12225	9.5
279.13834	4.0
287.14270	2.3
288.11502	2.8
289.12268	3.2
290.13098	2.7
291.13797	100.0
300.11404	1.9
303.13736	9.7
305.15289	3.4
309.14896	20.4
314.13086	2.7
315.13754	4.6
329.15344	6.1
333.14883	26.0
335.19519	2.0
357.14764	10.2
375.15967	20.1
431.11081	2.2
434.07813	1.9
515.26501	5.8
515.34912	2.4
530.37488	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	515.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
67.05514	1.1
68.70977	0.4
69.03406	0.5
69.07092	0.7
74.15509	0.4
79.05508	1.3
81.07053	1.2
81.27441	0.5
83.41848	0.4
91.05487	0.8
93.07048	1.2
95.08586	0.7
105.07047	1.4
107.08622	0.8
117.07008	0.7
119.08595	1.1
131.08591	0.6
147.11748	0.5
159.11844	0.5
165.07004	0.9
165.64783	0.4
167.08601	1.7
168.86446	0.5
169.06442	0.9
171.07956	0.8
178.07899	0.5
179.08574	1.1
180.09404	0.5
181.06519	5.3
181.10098	1.2
182.07195	0.9
185.21356	0.5
190.07823	1.5
191.08572	1.6
192.09338	1.0
193.10127	0.9
194.07324	2.7
195.08067	1.9
195.11789	0.8
202.07861	1.3
203.08542	1.4
205.06514	0.8
205.10175	5.4
207.08087	1.5
208.08861	7.3
209.09587	1.6
211.07855	0.6
211.11240	1.0
217.10181	0.7
218.07283	1.4
219.08040	2.1
220.08929	2.3
221.06113	0.6
221.09558	2.0
223.11198	19.9
227.10663	1.5
232.08771	0.5
233.09630	1.1
234.10350	0.7
235.07468	1.4
235.11220	5.3
236.08356	8.2
237.09114	8.5
245.09543	0.8
248.08362	1.3
249.09084	1.3
250.09801	1.3
251.10704	100.0
252.11467	19.8
263.10684	4.2
264.11441	0.9
265.12173	1.3
424.13977	0.6
427.13266	0.7
441.15335	0.9
442.15671	0.7
457.17935	1.3
467.16220	1.1
482.18723	0.7
487.22415	0.7
497.20908	2.0
515.21918	5.3
515.30157	0.9
515.37939	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	515.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05510	2.6
65.21481	1.1
67.05511	3.1
69.07051	1.4
69.22514	8.7
69.22913	2.4
75.12430	1.1
81.07046	2.1
84.08165	6.5
90.79388	1.2
91.05483	2.8
95.94636	1.3
101.00864	4.1
105.07033	2.6
107.08603	1.7
109.10230	1.7
110.50034	1.2
119.01930	7.2
143.01917	2.8
143.08534	1.6
145.03488	1.7
145.04602	1.3
161.02953	5.4
165.06963	3.0
166.07747	1.7
167.08575	1.9
171.26608	1.3
178.07803	3.4
179.08559	4.8
181.06506	5.1
189.06868	3.6
191.08569	4.1
192.09302	2.4
193.10165	4.2
194.07280	4.2
195.08037	2.5
196.08815	1.7
197.09682	1.9
202.07765	3.9
203.08574	6.9
204.09326	3.1
205.06509	13.0
205.10017	2.5
206.07289	53.5
207.08046	15.8
207.11627	1.7
208.08804	4.1
209.05882	1.7
209.09581	13.5
218.07243	2.0
219.08168	6.0
219.11703	2.8
220.08928	7.3
221.05104	3.7
221.09627	93.8
222.10332	11.9
223.07442	2.3
223.11183	5.7
224.08257	1.7
225.09087	2.6
231.08118	3.7
232.08832	12.8
233.09641	3.2
234.06766	27.0
234.10423	3.6
235.07545	12.4
235.11192	4.0
236.08322	4.7
237.09155	7.1
237.12782	7.7
238.09933	5.0
239.10434	3.8
245.09598	2.8
246.10387	1.4
247.11244	6.8
248.08353	3.1
249.09128	100.0
250.09886	22.1
251.10701	18.2
252.11531	2.1
253.12315	9.5
261.12701	2.2
262.09839	2.2
263.10648	3.9
265.12250	89.7
266.12991	14.9
267.13885	4.5
277.12207	2.4
279.13858	4.1
291.13809	3.1
305.11804	2.9
311.20935	2.4
331.13184	1.6
340.66174	1.3
353.21750	3.9
409.23978	3.3
411.14032	1.7
423.13770	2.0
425.15668	1.8
435.13629	1.3
439.17068	3.5
440.17908	2.3
443.16467	2.5
449.15170	2.5
452.14166	2.8
454.19397	2.2
457.17905	2.5
458.18817	1.4
459.19659	2.5
464.17477	2.3
465.18219	2.3
467.16568	10.9
468.17065	2.1
471.15204	1.7
473.20941	1.8
481.17911	2.3
482.18832	13.4
485.17456	4.2
487.22501	2.0
497.21167	23.6
500.19714	3.1
515.22064	18.8
515.37775	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	515.2858
Annotation	Tricalysioside H
Peak:m/z	Relative Intensity
53.03956	4.1
55.01865	4.0
55.05507	3.2
57.03452	11.3
61.02935	11.5
67.05504	8.3
68.89965	1.6
69.03436	42.4
69.07067	3.0
69.44210	9.0
71.04996	6.5
73.02916	5.8
79.05500	8.1
81.03439	14.9
81.07072	12.6
85.02916	100.0
85.07832	1.5
87.04486	8.8
91.03965	6.0
91.05492	11.3
93.07063	16.0
95.04977	3.2
95.08609	22.0
97.02901	34.2
99.04465	5.8
105.07037	18.3
107.08609	22.5
109.00557	1.6
109.02912	11.1
109.06549	4.6
109.10172	12.7
111.08101	3.1
113.06000	1.5
117.07073	2.7
119.08596	17.6
121.05648	3.4
121.06518	48.6
121.10162	12.6
123.08084	20.9
123.11737	3.4
127.03933	20.6
129.68204	1.4
131.08580	10.6
133.06500	3.6
133.10138	11.1
133.72368	1.6
135.08073	35.9
135.11710	8.7
137.09674	6.2
143.08611	6.0
145.04994	13.8
145.10135	13.3
147.08063	14.9
147.11700	14.6
149.09648	6.1
149.13310	3.5
151.07584	5.5
151.11127	1.6
153.09148	1.7
155.08548	3.7
156.09335	1.7
157.10129	10.2
159.08066	2.7
159.11769	9.7
161.09648	16.8
161.13295	5.0
161.67146	1.3
163.11241	2.8
165.09123	5.5
165.12703	3.4
167.10686	1.6
169.10127	6.5
171.08127	2.4
171.11720	6.9
173.09694	4.2
173.13321	5.7
175.11252	5.1
181.10182	1.9
183.11749	6.1
185.09660	3.5
185.13303	6.1
187.11224	3.1
187.14868	2.9
197.13301	7.1
199.11166	2.8
199.14873	5.2
201.12737	2.7
201.16380	2.0
203.14381	2.8
209.13284	2.9
211.14867	4.6
213.12764	2.5
213.16429	3.4
215.14439	2.4
223.14850	2.3
225.12839	2.2
225.16472	2.3
227.14284	2.0
227.17926	3.0
229.15828	2.3
229.19560	3.1
239.14455	2.0
239.18010	5.4
241.15974	3.0
241.19499	4.7
243.17546	3.6
245.19121	1.9
251.18069	2.7
253.19548	7.3
255.17531	4.1
257.19092	10.8
259.17120	1.7
269.19028	18.2
271.20651	8.5
273.18610	3.9
275.20078	4.8
281.19046	13.2
287.20105	16.6
289.21729	2.6
299.20071	25.0
305.21115	14.2
317.21170	20.2
335.22208	26.7
353.23291	22.3
390.03250	1.6
497.27515	2.3
515.28589	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.0
55.05517	25.3
57.03442	11.3
61.02929	9.1
62.29719	4.2
67.05508	83.3
69.03432	16.6
69.07076	28.2
71.15460	8.8
79.05501	63.1
81.03424	12.9
81.07068	100.0
83.04997	7.3
83.08611	9.6
85.02911	16.4
91.03957	4.7
91.05490	52.3
93.07059	67.2
95.04984	12.7
95.08610	72.5
97.02905	10.1
97.06523	6.5
105.07066	26.3
107.08588	33.1
109.06515	12.7
109.10180	28.0
111.08188	5.3
117.07024	24.9
119.08620	23.4
121.10170	36.0
123.08078	10.4
123.11712	15.0
129.07022	7.1
131.08597	22.7
133.10118	20.9
135.11705	22.2
143.08566	6.0
145.10138	21.9
147.11661	11.8
149.13271	17.5
157.10172	5.6
159.11729	25.1
161.13260	14.4
163.14835	10.1
171.11722	4.8
173.13264	14.7
178.70390	5.1
184.25116	5.2
185.13269	6.9
187.14847	10.7
187.72162	5.3
221.09712	6.0
222.10419	9.2
235.07474	7.2
236.08328	6.6
237.12729	16.3
238.59047	6.0
239.10687	7.1
243.21115	12.8
249.09029	16.1
250.09859	26.5
251.10655	12.8
261.22183	49.6
265.12231	99.8
266.12988	17.9
291.69647	5.1
301.21671	4.8
303.23318	11.1
322.70157	5.5
335.25842	21.3
345.24112	8.4
353.26834	14.2
369.24387	9.1
387.25616	6.2
405.26263	7.5
419.27905	11.3
443.27649	9.7
467.16583	6.0
482.18826	9.3
497.20950	6.0
497.30875	14.7
515.20361	6.7
515.26282	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.4
55.05520	18.3
57.03422	9.4
57.07090	4.4
61.02914	7.1
65.03947	4.6
65.43115	2.8
67.05174	5.5
67.05514	88.0
69.03429	6.6
69.07069	14.1
71.04999	6.4
71.87266	3.7
73.02930	3.6
79.05504	53.8
79.76983	2.6
81.03423	6.1
81.07072	100.0
83.04989	5.6
83.08603	6.1
85.02893	8.3
91.05485	31.0
93.07060	55.8
95.04970	6.5
95.08618	69.1
97.02901	3.1
97.06555	6.5
97.10182	4.5
105.07051	24.8
107.08611	36.4
109.06534	6.2
109.10155	28.0
111.08090	3.0
116.18975	3.1
117.07018	15.7
119.08588	19.3
121.10155	30.1
123.08087	3.0
123.11713	13.6
125.09645	2.8
129.07004	7.6
131.08609	21.3
133.10149	19.2
135.08046	4.1
135.11719	21.0
137.13293	6.6
139.11171	3.4
143.08569	5.0
145.10144	17.8
147.08023	3.4
147.11700	15.7
149.13275	21.0
152.89482	4.1
159.11673	18.5
161.13264	10.9
163.14827	7.8
169.10178	4.9
173.13269	20.9
175.14798	4.1
177.16371	5.0
185.13219	3.5
187.14879	8.7
201.16420	3.0
243.21101	19.9
249.09428	3.5
250.64151	3.6
261.22156	58.2
279.23242	7.4
303.23288	5.4
335.25827	18.3
345.24362	3.8
353.26825	12.6
369.24323	3.5
461.29367	4.4
469.05295	3.5
497.31125	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
53.75694	2.2
55.01858	3.2
55.05514	21.5
55.31203	2.8
57.03442	6.3
57.07078	6.0
61.02921	4.6
65.03957	5.0
67.05515	95.3
69.03420	8.9
69.07076	20.0
71.04990	4.8
71.56051	4.8
79.05503	66.2
81.03407	8.1
81.07068	100.0
83.04939	3.3
83.08614	9.6
85.02897	7.2
85.06561	4.9
89.48166	2.5
91.03976	3.2
91.05494	42.8
93.07056	78.1
95.04972	8.6
95.08050	5.0
95.08620	75.0
96.97272	2.4
97.02876	3.8
97.06553	6.2
97.10173	4.7
99.08118	5.3
105.07046	32.5
107.04940	2.9
107.08605	51.5
109.06561	6.1
109.10173	35.3
111.08098	3.1
117.07007	19.1
119.08595	26.2
121.06541	3.2
121.10171	37.6
123.08131	4.6
123.11738	14.0
125.09712	3.5
127.03866	2.9
129.06940	4.2
131.08572	31.9
133.10152	21.0
135.11714	30.7
137.09547	4.7
137.13246	4.2
140.28584	2.6
143.08598	5.8
145.10124	20.9
147.11705	17.4
149.13242	25.0
153.12738	2.9
155.08586	2.8
157.10106	5.4
159.08139	3.5
159.11745	17.3
159.12846	2.9
161.13284	16.1
163.11177	2.9
163.14815	18.5
169.10104	4.5
171.11745	3.3
173.13283	19.1
175.14828	5.4
177.16447	3.9
183.11647	4.1
185.09637	3.3
185.13356	3.9
187.14847	11.5
189.16411	2.7
201.12697	2.7
201.16420	4.5
233.22740	5.3
243.21111	29.6
261.19391	5.1
261.22177	88.3
262.22400	3.6
301.21628	5.6
303.23273	4.6
317.18073	2.9
335.25879	11.0
353.26849	14.8
368.98508	2.8
369.24017	3.9
419.28052	3.3
443.28024	3.8
497.30823	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
53.44654	5.5
55.01855	5.9
55.05503	22.1
56.44893	5.4
57.03432	13.0
57.76351	5.8
60.97838	5.6
61.02911	7.0
67.05224	5.6
67.05510	67.0
69.03416	20.8
69.07054	14.9
71.55177	6.8
71.55626	7.7
73.02877	8.6
79.05490	56.4
81.03425	19.7
81.07059	77.5
83.04963	5.6
83.08604	9.9
85.02896	11.1
91.05475	47.1
93.07047	52.3
95.04964	9.9
95.08608	47.2
97.02876	6.5
97.06511	10.1
99.69955	5.8
105.07044	27.9
107.08607	36.0
109.06557	7.9
109.10162	19.5
117.06996	16.7
119.08617	28.3
121.10167	31.0
123.08008	8.0
123.11728	6.4
129.06995	10.7
131.08539	22.5
133.10132	12.3
135.11705	26.6
143.08528	7.3
145.06548	5.8
145.10095	18.8
147.08025	8.3
147.11685	13.1
149.13249	18.6
155.08562	8.4
157.10240	5.8
159.11710	17.2
161.13251	13.3
163.11217	7.2
163.14803	10.2
173.09711	5.8
173.13266	11.1
183.11705	7.4
195.86955	5.9
236.08408	11.6
237.09206	9.6
243.20990	11.5
251.10674	100.0
252.11530	7.8
261.22064	36.9
282.72534	5.6
301.21704	6.7
311.09103	5.9
353.26736	15.2
369.24094	9.1
429.69803	6.9
464.54919	6.4
515.21417	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	515.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24866	1.4
53.03947	3.6
54.35837	1.5
55.01880	3.3
55.05260	1.8
55.05517	19.2
57.03436	6.5
65.03926	3.0
67.05511	59.9
69.07071	17.6
71.05005	4.0
71.08636	2.0
71.55383	2.2
71.55733	1.5
79.05499	50.8
81.03425	4.0
81.06593	2.5
81.07065	42.1
83.04995	10.7
83.08616	7.8
85.06554	1.9
91.05489	33.7
93.07056	63.8
95.04971	5.1
95.08616	27.6
95.09176	2.5
97.06551	7.4
97.10189	6.1
105.07039	21.3
107.08607	33.0
109.06557	1.5
109.10153	9.1
111.08103	2.2
115.05363	1.4
117.07052	8.7
119.08597	19.3
121.10149	16.7
125.09655	1.7
129.07036	4.9
131.08578	13.7
131.32365	1.4
131.91489	1.5
133.10139	14.1
135.11705	38.5
142.07767	2.0
142.49565	1.4
143.08614	7.8
145.10149	17.0
147.11719	6.4
149.13286	3.7
153.12822	2.3
155.08614	1.8
157.10155	6.7
159.11726	8.0
161.13312	3.2
163.11250	3.7
169.10086	1.8
171.11743	4.7
173.13287	6.6
175.14845	2.3
176.60117	1.4
181.12270	5.4
183.11742	4.2
185.13266	4.2
187.14900	3.3
189.88707	1.4
197.13306	1.9
199.14864	1.9
201.16446	1.8
225.16563	1.8
243.21048	1.8
261.22171	4.2
284.02533	1.6
317.24829	2.6
325.25427	2.4
354.86551	1.9
405.31525	2.2
408.89383	1.6
415.77490	1.5
423.32626	9.1
429.25690	1.7
441.33768	3.6
459.35181	1.9
497.36261	3.5
515.37415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02409	1.2
53.03947	6.7
53.39434	1.1
55.01876	3.1
55.05516	17.4
55.55210	1.0
57.03437	4.5
57.07078	2.7
57.12791	1.0
65.03933	4.0
67.05515	58.4
69.07076	15.4
69.62900	7.7
71.01360	2.6
71.05000	2.4
79.05505	51.0
81.03424	2.2
81.07069	44.6
83.04995	8.1
83.08629	6.9
85.06552	2.8
91.05494	31.7
92.69112	1.2
93.07058	60.9
95.04975	4.8
95.08620	27.6
97.06544	10.0
97.10175	7.4
98.21481	2.1
99.08102	1.4
105.04568	2.2
105.07045	20.1
107.04969	2.6
107.08608	34.5
107.09299	2.3
109.06528	2.2
109.10162	12.7
111.08067	2.1
115.05421	1.5
117.07022	12.0
119.08596	17.4
121.10169	18.8
122.81108	1.2
123.11762	1.9
125.09683	1.9
128.06314	1.1
129.07050	3.3
130.07820	1.5
131.08583	14.6
133.10153	10.5
135.11707	39.8
135.12709	2.1
137.09647	1.7
141.99814	1.1
143.08641	5.3
145.10143	16.3
147.11685	6.4
149.13284	2.8
151.11269	1.6
153.12762	4.8
155.08549	1.7
157.10175	4.3
159.11725	7.6
161.13342	5.8
163.11234	4.1
169.10159	2.4
171.11647	5.4
173.13313	7.1
175.14899	3.5
181.10220	1.8
181.12289	7.2
183.11743	1.9
185.13269	3.1
187.14835	4.8
189.11185	1.5
197.13263	2.2
209.13269	1.9
223.14790	1.8
243.21144	1.7
261.22208	4.4
327.31232	1.3
405.31436	1.7
423.32684	6.9
441.33856	1.9
497.36298	4.0
515.37421	100.0
516.37579	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.156
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.4
69.03425	1.3
70.06601	2.3
70.16799	0.9
71.06920	0.4
79.05495	1.1
85.02923	0.7
85.19321	0.3
89.03932	4.9
97.02908	0.7
98.20809	0.4
107.04948	1.3
112.07615	1.3
113.07970	0.4
117.03392	7.1
127.03909	0.7
135.03392	0.7
135.04431	14.2
140.07028	0.9
145.02856	11.2
145.04005	0.6
158.17424	0.3
163.03917	100.0
164.04245	0.4
181.05045	0.4
207.07367	0.3
256.02304	0.3
307.08246	0.6
308.78253	0.4
325.09177	0.7
337.09149	0.5
440.18796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.9
57.10143	0.7
61.02924	0.8
66.30671	0.8
67.16888	0.7
67.33458	0.8
69.03419	2.3
70.06609	1.5
70.84495	1.5
70.84830	1.4
71.35398	0.7
81.03428	1.2
84.08118	0.9
85.02917	6.4
86.09707	0.9
89.03941	5.5
97.02896	2.7
107.04955	1.7
109.02873	0.8
116.13401	0.8
117.03398	7.8
127.03896	1.5
135.04431	13.7
145.02850	9.6
145.04984	2.4
163.03928	100.0
201.05637	0.8
215.06854	1.6
323.09137	0.8
355.11896	0.9
378.12723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	2.1
70.01733	2.5
79.05492	1.5
81.07059	1.3
91.05483	1.0
93.07024	1.3
95.08596	1.5
105.07058	1.0
107.08551	1.0
109.10161	1.1
112.69603	0.7
113.00021	1.2
119.08571	1.0
121.06497	1.0
121.10182	0.9
131.08517	1.2
133.10124	0.9
147.08035	1.0
153.06955	0.9
154.63338	0.6
154.94202	0.8
155.08516	0.7
159.08080	0.7
165.07011	1.1
167.08586	0.8
169.06448	0.7
180.09315	0.8
181.06470	2.7
190.07785	1.0
191.08476	1.5
193.10172	0.8
194.07329	1.7
195.08057	2.2
203.08597	1.2
205.06442	1.1
205.10132	2.4
206.07230	1.5
207.08072	2.2
208.08887	5.2
209.09645	2.7
211.11172	2.9
218.07288	1.3
219.08072	2.7
220.08913	1.1
221.09758	3.1
222.10381	2.2
223.07758	1.2
223.11191	13.3
227.10818	4.2
233.09747	1.5
234.06804	1.3
234.10373	3.0
235.07532	3.7
235.11180	2.1
236.08333	12.1
237.09128	3.9
237.12744	1.9
238.09888	2.4
239.10649	1.1
247.11047	0.7
248.08342	1.2
249.09108	5.4
249.12793	2.2
250.09917	8.1
250.13489	1.0
251.10695	100.0
252.11372	7.3
253.12177	3.3
262.09998	0.9
263.10712	2.3
264.11514	1.1
265.12259	18.4
266.12973	2.0
267.13736	2.2
277.12234	4.5
287.10898	0.7
305.11786	0.8
331.26227	0.8
411.13824	0.7
412.14569	0.7
426.16083	2.4
427.16919	1.3
429.14658	2.0
430.15744	1.2
436.14407	1.0
437.15277	0.9
439.13574	1.3
441.18454	1.8
443.16202	0.9
444.17401	1.5
445.18045	1.3
451.16812	2.4
453.14999	1.0
454.15540	3.8
455.16272	4.2
456.21414	3.1
458.14761	0.9
459.19452	1.3
469.18088	11.7
470.18695	3.7
471.23276	1.2
472.16803	1.7
473.17529	6.3
474.22177	0.9
475.19357	1.0
481.21304	0.8
483.19702	0.8
484.20285	11.3
487.19101	7.1
488.19724	9.0
489.24802	0.8
499.22839	14.8
500.23056	0.8
502.21359	7.7
517.23663	21.2
517.35828	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.251
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62933	8.0
71.54841	17.8
84.04494	53.6
84.07782	8.3
84.08162	100.0
95.04948	9.1
110.16663	8.9
130.05026	12.9
130.08652	63.6
163.03851	20.3
242.09993	10.8
259.12946	97.2
265.07187	10.5
356.26169	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	517.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	25.6
57.03443	8.3
57.07079	6.5
57.12832	6.3
60.08180	4.6
67.05516	53.8
69.03460	5.3
69.07076	24.3
69.36821	42.0
75.66736	4.3
79.05499	32.8
81.03442	10.5
81.07069	62.3
83.08615	13.3
91.05497	29.7
93.07058	35.9
95.04980	9.0
95.08618	46.0
97.02898	9.0
97.10212	8.6
104.10756	13.5
105.07033	28.1
107.08601	15.5
108.67126	4.7
109.06554	6.5
109.10181	33.1
113.00024	16.9
113.31695	4.3
115.05518	6.2
117.07016	9.2
119.08607	16.0
121.10174	15.7
123.11707	14.1
129.07004	5.2
131.08559	16.9
133.10138	14.4
135.11708	11.3
143.08597	6.0
145.10110	7.0
147.11691	8.3
149.13301	8.5
159.11694	5.3
161.13347	7.5
175.14793	5.3
181.06509	6.6
184.07320	10.7
187.14677	6.6
195.08118	5.3
205.10173	7.3
208.08830	11.5
219.08035	6.8
223.11177	26.6
236.08331	9.7
237.09093	10.7
245.22739	13.4
249.09103	6.8
249.12625	5.4
250.09966	18.8
251.10698	100.0
252.11218	16.5
263.10791	9.7
263.23706	22.7
265.12302	41.9
266.12921	7.3
331.26331	9.5
337.27267	16.2
405.30060	8.2
458.23578	5.8
469.17871	10.0
473.17368	6.9
484.20273	17.7
487.18784	9.7
488.19748	9.0
499.22891	28.9
502.21381	13.9
517.23138	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01869	1.0
55.05516	19.0
57.03442	5.6
57.07070	3.2
59.05011	1.1
65.03974	1.2
67.05511	39.1
67.05875	2.0
69.03438	1.7
69.07072	17.0
71.05009	2.1
71.08623	1.2
71.54816	1.2
79.05500	29.3
80.18372	1.0
81.07066	40.3
82.07368	0.9
83.04961	2.0
83.08633	9.0
85.06556	1.8
91.05487	26.4
93.07053	37.6
93.07636	2.2
95.04967	2.2
95.08616	34.3
97.06544	4.3
97.10194	5.0
99.08132	1.1
105.07041	27.1
107.08606	22.5
107.09297	1.7
109.06400	1.2
109.10165	17.8
111.08089	2.6
117.07031	9.6
119.08589	30.0
121.10149	17.0
123.11732	4.6
125.09628	1.6
129.07018	5.4
131.08572	20.6
133.10144	18.9
135.08098	1.3
135.11708	11.6
137.09615	1.5
141.06964	2.0
143.08589	6.7
145.10135	16.5
147.11707	16.6
149.09653	1.8
149.13290	6.6
155.08510	1.9
157.10138	6.5
159.11710	16.0
161.07143	0.9
161.13275	8.3
161.33412	1.1
163.14844	2.9
169.10199	2.9
171.11720	8.3
173.11894	1.8
173.13272	10.1
175.14799	4.5
177.16418	1.6
183.11760	3.3
185.13231	5.7
187.14876	6.2
189.12779	1.5
189.16461	2.9
197.13403	2.8
199.14870	4.0
201.16460	2.0
203.17953	1.4
211.14903	1.6
213.16492	1.4
215.18085	1.1
217.15997	1.3
217.19427	1.3
219.17519	1.1
225.16431	1.7
241.17870	2.3
259.20679	4.0
271.20526	1.8
273.22131	1.8
287.23734	1.7
289.21643	1.1
299.23764	2.3
301.25330	1.6
303.23184	1.5
313.25372	2.2
315.26813	1.0
317.24902	1.6
333.24350	2.7
343.26205	1.3
361.27209	1.1
405.30164	2.1
407.33038	4.9
419.31610	1.7
425.34213	12.9
443.35376	6.9
461.36444	1.0
481.36932	1.3
499.37885	21.3
517.39020	100.0
518.39319	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	517.3896
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03955	2.2
55.01879	1.3
55.05520	13.7
57.03446	5.4
57.07085	2.7
62.62436	0.7
65.03936	1.5
67.05511	35.9
68.42872	0.7
69.07076	14.4
69.90751	2.8
69.91864	0.8
71.05002	2.7
72.11739	0.8
77.03889	0.7
79.05059	1.5
79.05501	25.8
80.44063	0.8
81.07065	42.3
83.04985	1.5
83.08632	9.4
85.06544	1.9
91.05490	24.1
93.07056	31.3
95.04984	3.2
95.08619	30.8
95.21358	1.0
97.06549	3.3
97.10173	4.6
98.21463	1.0
103.05547	0.9
105.07043	29.6
107.08607	22.3
108.08964	0.8
109.06524	1.2
109.10161	12.9
111.08115	2.4
113.09658	0.9
117.07031	11.6
119.08593	25.9
121.10155	16.5
123.08078	2.4
123.11738	4.3
125.09632	1.3
129.06989	5.0
131.08588	19.3
133.10139	19.4
135.08122	0.9
135.11705	10.6
137.09663	1.0
137.13277	1.1
139.11198	1.0
141.07040	1.2
142.07832	1.8
143.08604	5.5
144.09273	0.8
145.10138	17.5
147.11708	15.0
149.13303	6.1
151.11183	1.2
155.08592	3.0
157.10141	6.2
159.11700	13.1
159.19345	0.8
161.13257	7.4
163.11273	1.5
163.14835	3.2
169.10161	2.5
171.11694	7.6
173.13283	13.1
175.14806	4.4
177.12784	1.2
177.16531	1.4
183.11778	2.7
185.13245	6.0
187.13423	0.9
187.14844	5.5
189.16472	2.2
197.13274	2.2
199.14854	4.0
201.16435	3.8
203.14355	1.1
211.14856	2.0
213.16489	1.8
215.18138	1.3
219.17427	0.9
231.17564	1.0
233.18987	0.9
241.17862	2.3
241.19917	1.2
253.19537	0.9
257.19034	1.1
259.20529	4.0
261.19025	0.9
261.22198	1.2
271.20798	0.8
273.22284	0.9
277.21646	1.0
285.22104	1.2
287.23694	1.6
291.22940	0.8
292.44931	0.8
299.23749	1.7
299.44104	0.9
301.25357	1.6
303.23264	1.1
305.24783	0.9
311.23770	1.2
313.25400	3.0
327.26883	1.1
331.26315	1.4
333.24384	3.4
335.25922	1.3
341.28476	1.0
361.27716	1.2
391.28049	1.1
405.30164	1.4
407.28485	0.9
407.32990	4.9
419.31589	1.1
421.29465	1.0
425.34186	15.0
433.29675	1.2
443.35165	7.2
447.31036	1.1
499.37900	18.9
500.37915	0.9
517.38940	100.0
518.39410	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.99742	0.9
51.95703	0.8
52.11932	0.9
52.85360	0.8
53.03954	2.7
55.01868	2.0
55.05262	1.3
55.05515	16.5
57.03436	5.7
57.07069	3.0
65.03940	1.9
66.33460	0.9
67.05511	35.5
69.07074	16.1
69.20322	9.6
70.07412	0.8
71.04969	1.1
79.05499	24.5
81.07064	37.7
83.04999	1.5
83.08629	8.8
85.06543	2.1
91.05486	21.8
93.07050	30.5
93.07635	2.0
95.04961	2.1
95.08614	31.3
97.06539	2.7
97.10190	4.4
98.20738	2.2
99.08088	1.4
103.05437	1.1
103.18819	0.9
105.04497	0.9
105.07043	30.5
107.08605	23.3
107.09299	1.7
109.06541	1.1
109.10163	14.8
111.08104	2.4
117.07031	9.3
119.08589	25.9
121.10150	18.9
123.08099	1.8
123.11742	5.6
125.09689	2.0
129.07022	5.0
131.08585	18.7
133.10135	16.0
135.08095	1.0
135.11699	11.2
137.09644	2.0
137.13272	1.3
141.06995	1.2
143.08571	6.0
145.10130	18.8
147.11687	13.2
149.13271	6.7
155.08548	3.2
157.10173	7.4
159.11693	14.6
161.13248	8.0
163.14857	3.2
165.12726	1.0
169.10181	3.3
171.11732	6.3
173.13252	9.4
175.14848	3.7
183.11710	1.7
185.13251	4.8
187.14870	5.0
189.16399	2.0
191.14432	1.2
197.13300	2.0
199.14882	4.1
201.16454	3.4
211.14853	1.8
213.16469	2.8
215.18080	1.5
219.17474	1.6
231.17673	1.1
241.18031	3.2
259.20575	4.3
263.20059	2.0
273.22107	1.4
275.20227	1.4
277.21646	1.3
285.22321	1.6
287.23792	2.1
289.21616	1.2
299.23685	2.5
301.25311	1.3
303.23166	1.4
313.25351	2.6
329.24817	1.0
333.24185	1.0
355.26471	1.6
361.27585	1.5
391.28192	1.5
405.30212	2.2
406.18713	0.9
407.28271	1.4
407.32864	4.6
425.34222	14.6
443.35355	7.2
461.36469	1.7
499.37872	19.4
499.44644	1.7
517.38953	100.0
518.39087	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	517.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
53.88207	0.7
55.01880	1.8
55.05516	15.9
55.37550	0.7
56.64368	0.7
57.03445	5.5
57.07077	2.6
65.03947	1.5
67.05511	34.9
69.07074	16.2
70.12798	3.3
71.04997	2.3
74.92077	0.7
79.05498	25.7
81.03426	1.2
81.07060	41.7
83.05012	1.3
83.08624	8.7
85.06560	3.0
91.05492	21.4
93.07053	32.3
95.04971	1.8
95.08615	33.7
95.94421	0.8
97.06567	4.0
97.10170	3.5
99.08084	1.2
105.07037	25.3
107.08604	21.2
109.06569	1.0
109.10168	12.8
111.08086	2.6
111.11745	0.9
117.07019	7.5
119.08597	26.5
121.10161	16.2
123.08081	2.1
123.11720	4.3
125.09640	1.2
126.32874	0.7
128.06259	1.1
129.07022	5.4
131.08588	18.9
131.09525	1.4
133.10136	17.1
135.11703	9.8
137.09676	0.9
137.13222	0.8
139.11208	1.1
141.06961	1.5
142.07832	0.9
143.08597	6.5
145.10133	18.2
147.11690	15.2
149.09599	1.3
149.13258	5.6
151.11198	0.8
155.08604	1.7
157.10118	5.2
159.11705	14.0
161.13277	6.8
163.11153	1.7
163.14810	2.7
165.12834	0.9
169.10188	2.0
171.11769	7.9
173.13255	10.5
175.14851	5.1
177.12819	1.1
183.11699	2.8
185.11829	1.4
185.13274	5.7
187.14810	4.7
189.16373	2.2
197.13338	2.5
199.14835	4.1
201.16533	2.1
209.13274	1.3
211.14905	1.4
213.14708	1.1
213.16464	2.1
215.18050	1.4
219.17477	1.2
225.16376	0.8
227.18019	1.8
241.17981	2.6
241.19907	1.5
245.19174	0.8
253.19621	1.1
259.20584	4.6
261.21985	1.1
269.22546	1.0
271.20667	0.9
273.22171	1.9
277.21768	2.1
285.22253	1.4
287.23752	2.3
291.23233	1.2
299.23734	1.3
301.25058	1.1
303.23309	1.0
313.25427	2.4
315.23218	1.0
317.24884	1.8
327.23248	1.0
333.24472	2.0
335.25836	1.0
343.26227	1.0
391.28604	1.5
397.35071	0.9
405.30243	2.1
407.33197	4.3
419.31631	1.1
425.34201	15.7
443.35397	5.3
447.30896	1.3
461.36453	1.9
481.37122	1.1
499.37866	18.8
517.38885	100.0
518.39441	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64123	0.1
55.05512	0.1
56.05042	0.6
56.94540	0.1
57.03458	0.2
58.06331	0.2
58.06640	0.5
59.07144	0.1
59.07406	0.2
60.08168	6.4
67.05511	0.6
69.07061	0.1
70.06600	0.1
70.66935	0.2
71.07381	3.5
79.05508	0.4
81.07063	0.4
85.37309	0.1
86.09713	32.9
87.10014	0.1
91.05498	0.1
93.07060	0.3
95.08597	0.4
98.98472	3.7
104.10751	3.2
107.08611	0.2
125.00015	23.4
135.11830	0.1
143.01074	0.1
156.57156	0.1
166.02734	0.1
184.07355	100.0
185.07671	0.3
196.32593	0.1
258.11176	0.1
288.32535	0.1
335.25949	0.2
500.31393	0.8
518.25580	0.1
518.32520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
56.05032	1.2
57.03433	0.5
58.06615	1.4
60.08169	18.3
67.05499	2.6
69.07082	0.6
70.99574	0.8
71.07381	6.7
71.97771	0.4
79.05498	1.6
80.97431	0.4
81.07067	2.4
86.09713	48.2
91.05476	0.8
93.07037	1.7
95.08610	1.2
98.98473	4.4
104.10752	100.0
105.11043	0.5
106.02931	0.4
107.08599	0.5
121.10155	0.6
125.00014	27.9
135.11723	0.5
144.12083	0.3
163.01541	0.5
184.07355	94.7
185.07761	0.5
185.19708	0.4
209.00119	0.4
258.11127	1.6
335.25836	1.2
385.95175	0.4
500.31412	7.4
513.83014	0.4
518.32471	20.9
519.33032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
67.01863	0.5
68.99805	0.3
69.03431	0.3
69.44036	0.8
72.08154	0.2
79.05515	0.1
81.03439	0.2
84.04506	0.1
85.02903	0.2
86.09706	0.3
89.10178	0.1
91.05496	0.4
95.41930	0.1
97.06537	0.3
98.20774	0.3
99.04458	0.1
102.28427	0.1
109.02917	0.2
111.00775	0.2
114.87234	0.1
119.04954	1.6
121.02866	0.6
127.03958	0.2
129.01884	0.2
136.07568	0.2
145.02855	0.6
147.02881	0.1
153.01845	5.2
162.06369	0.1
163.03920	0.6
171.02904	0.3
175.40665	0.1
187.04118	0.1
203.07086	0.1
225.05559	0.3
229.04955	0.3
243.06540	0.4
247.06174	0.1
271.06039	100.0
272.06360	1.7
315.99179	0.1
433.11453	0.7
475.11716	0.1
476.88385	0.1
519.11591	1.4
519.22083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
54.84408	1.2
55.01871	3.5
55.05507	2.0
57.03432	2.6
61.02913	1.4
65.03952	1.1
67.05501	3.6
69.03428	5.2
69.07066	3.8
69.30487	3.6
69.30907	6.9
71.04998	2.2
72.08154	1.5
73.02943	1.5
79.05502	4.6
81.03419	4.2
81.07055	4.0
84.96018	1.1
85.02911	10.4
86.09672	2.6
91.05463	2.6
93.07063	4.6
94.04223	1.5
95.04974	2.5
95.08620	3.2
97.02890	3.2
97.06549	10.8
97.10171	1.1
98.97620	1.7
99.04486	1.1
103.05488	3.1
105.07064	3.4
107.04963	2.1
107.08595	3.9
109.02834	1.9
109.06548	1.9
109.10166	2.7
109.82926	1.3
111.04441	2.4
115.05434	1.7
116.03577	1.0
116.88351	1.2
117.03393	1.2
119.04985	2.3
119.08618	1.9
121.02863	1.3
121.06582	1.5
121.10147	2.5
122.03687	2.8
123.11694	1.7
125.05968	1.8
127.03916	3.5
129.06998	1.4
131.04935	3.9
133.02853	2.4
133.06480	3.0
135.04468	1.4
137.05983	33.3
137.09601	3.0
145.02850	3.7
145.05038	1.2
147.04451	2.5
147.11736	1.6
151.03885	1.2
153.01851	5.3
153.05415	1.4
157.06473	2.9
157.10156	1.2
160.05167	1.3
161.02359	1.8
161.05983	12.3
162.06380	3.8
163.03918	11.8
163.07602	3.2
164.04279	1.8
165.05467	3.9
165.09097	1.6
167.06999	1.4
173.02339	2.5
173.05823	1.5
175.07562	4.4
175.43666	1.2
177.05415	2.5
187.07516	2.1
189.07118	1.7
191.07021	3.4
191.08563	2.2
203.06990	3.1
203.08670	1.6
207.08121	1.8
215.07030	4.9
217.08629	4.4
218.07262	2.1
219.08084	4.8
234.06778	1.7
235.07539	2.8
236.08287	1.7
246.06757	2.4
247.07590	5.0
248.08231	1.4
249.09125	3.2
259.09674	4.8
260.10333	1.9
261.09149	5.0
263.06958	2.5
264.07779	3.5
265.08630	2.2
267.09912	1.6
271.06030	100.0
272.06461	2.8
274.06256	2.8
275.06949	3.2
276.07681	1.7
277.08600	4.7
278.09232	1.8
279.10178	2.7
286.04782	1.7
289.08606	7.0
291.10193	3.4
294.08960	1.3
295.09641	1.3
299.06281	3.8
301.07043	2.0
306.08945	2.9
307.09631	13.7
309.11319	6.3
321.11221	15.7
323.12888	3.0
327.12204	13.6
339.12256	13.4
341.14197	1.5
357.13327	6.5
519.10999	4.0
519.18945	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	519.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76606	0.8
69.77004	1.3
98.21480	0.6
99.58799	0.3
122.04636	0.3
124.25790	0.3
163.03932	0.5
183.91058	0.3
186.92067	0.4
203.05309	1.0
259.07877	1.0
283.15201	0.7
357.18796	3.1
362.72543	0.4
459.22211	0.6
487.21347	1.3
519.24176	100.0
520.24274	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	519.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42607	0.4
70.18154	1.5
98.20657	0.3
130.49997	0.3
137.05991	0.4
147.36789	0.4
163.03876	0.4
199.51802	0.4
241.10757	0.3
357.18820	3.6
368.64819	0.4
388.92603	0.4
459.22089	1.0
475.21240	0.5
487.21890	0.8
501.23300	0.6
519.24188	100.0
520.24475	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	519.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01873	8.8
55.05513	36.5
57.03433	2.2
57.07080	8.9
59.15031	0.7
61.83690	0.8
65.03955	1.6
66.95366	0.9
67.05175	1.5
67.05508	21.2
69.03429	1.6
69.07072	32.9
69.96455	3.8
71.04973	2.6
71.08635	5.4
77.69790	0.7
79.05496	29.1
80.61099	0.8
81.03415	1.9
81.07063	22.1
83.04998	3.9
83.08620	30.9
85.10176	1.6
91.05473	11.4
93.07047	44.1
93.67125	0.8
95.04965	8.4
95.08611	43.5
96.18868	0.8
97.02869	3.8
97.06539	5.1
97.10173	17.1
99.04457	4.1
105.04504	1.1
105.07036	9.7
107.04964	7.7
107.08602	33.0
109.06525	2.4
109.10140	3.1
111.08090	1.3
111.11745	3.8
113.06013	1.3
117.07018	9.8
117.18956	0.8
119.08591	11.0
121.06487	6.5
121.10145	14.6
125.05992	3.3
125.13255	0.9
129.06999	1.2
130.07796	2.9
131.08563	1.1
133.10139	3.7
135.08104	1.8
135.11696	54.3
139.07536	1.4
143.08499	1.2
145.10129	30.9
146.10501	1.2
149.13261	1.0
163.11182	62.6
167.05591	1.1
181.12244	14.4
209.11745	4.0
219.21065	1.0
227.12787	100.0
228.13223	1.5
237.22112	10.8
299.06058	1.1
337.99020	0.9
339.22922	0.9
367.18484	1.0
393.20615	1.0
440.29163	2.7
459.21881	1.3
460.22522	1.4
519.23999	4.4
519.36798	71.7
520.36591	3.8
528.27649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.05523	64.1
56.96567	4.6
58.30519	5.4
64.94662	4.6
67.05497	13.3
69.03436	9.1
69.07075	21.9
69.61963	4.3
70.06594	8.4
71.55602	5.1
72.49230	5.9
79.05484	13.2
81.03419	7.0
81.07057	38.5
83.05008	7.6
83.08608	6.2
84.04470	5.1
85.02901	17.4
85.06535	5.9
87.00803	8.4
91.05490	18.0
93.07056	47.6
95.04995	5.9
95.08608	18.2
97.02905	8.9
97.06525	14.1
97.10165	12.1
104.81622	4.9
105.07040	34.5
107.08588	29.7
109.06519	22.2
109.10133	18.3
111.11700	8.8
117.06961	4.7
119.08573	21.6
121.10158	100.0
127.03925	10.5
127.07558	10.5
131.08600	9.3
133.10150	13.4
135.11708	27.7
137.09534	8.9
139.11189	12.1
143.08614	4.8
145.10123	23.4
151.03995	6.8
151.11217	12.7
159.02957	6.3
159.04387	4.5
159.11700	12.3
161.13284	7.9
161.56805	4.6
163.03877	8.2
163.11156	9.1
177.16426	7.2
193.77165	4.6
201.16386	18.8
215.07144	5.8
219.17479	28.9
259.09598	6.5
299.06161	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	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.5
55.05519	40.8
56.96566	7.3
61.02934	7.6
65.71732	8.0
67.05504	20.0
69.03429	17.1
69.07072	25.4
69.20016	60.9
69.20440	14.7
70.06606	12.3
71.05003	10.0
73.60693	7.5
79.05508	23.0
81.03414	12.6
81.07069	39.2
83.04984	9.6
83.08617	8.5
85.02911	28.0
85.07990	6.4
91.05496	24.8
93.07059	71.5
95.04963	13.7
95.08630	30.7
97.02914	15.2
97.06535	53.1
105.01894	11.5
105.07047	42.1
107.08604	53.0
109.02903	11.6
109.06482	9.0
109.10167	25.3
111.08059	9.0
117.07022	15.4
119.08597	35.2
121.10159	100.0
125.09637	7.3
127.03906	20.8
131.08569	25.7
133.10161	31.3
135.04391	7.2
135.11699	31.0
145.10127	48.3
147.11696	12.2
149.09598	10.0
149.13275	15.2
157.10109	9.1
159.11685	35.2
161.13229	12.4
163.03922	65.0
163.11205	21.1
173.13290	15.6
201.16348	41.8
215.07025	13.8
219.17497	39.4
231.05017	8.0
259.09735	27.4
520.21613	10.3
520.62152	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	520.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20977	0.1
55.05515	0.2
56.05044	0.8
57.03448	0.1
57.98223	0.1
58.06633	0.5
59.07151	0.1
59.07398	0.1
60.08172	6.5
67.05517	0.6
69.07069	0.4
69.75186	0.1
71.07384	3.6
71.25457	0.2
79.05498	0.2
81.07066	0.5
81.07488	0.1
83.08667	0.1
86.09715	32.7
91.05457	0.1
93.07059	0.2
93.63299	0.1
95.08623	0.4
98.98478	3.5
104.10756	3.2
108.79875	0.1
109.10153	0.2
125.00017	23.5
142.65976	0.1
152.58632	0.1
163.01518	0.1
184.07359	100.0
185.07666	0.3
248.87747	0.1
258.11115	0.2
337.27396	0.2
413.98117	0.1
502.33002	1.0
520.34082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22903	0.2
55.05515	1.0
56.05046	1.2
57.03440	0.4
57.07080	0.2
58.06577	1.1
59.07369	0.4
59.77077	0.2
60.08172	16.3
67.03706	0.2
67.05164	0.2
67.05514	2.7
69.07075	1.1
69.76638	1.0
70.06593	0.3
71.07385	6.8
79.05502	1.0
81.07063	2.7
83.08614	0.4
86.09716	50.6
91.05505	0.3
93.07055	0.5
95.08616	1.7
97.10187	0.3
98.98485	4.6
104.10757	84.5
105.07058	0.3
105.11086	0.3
107.08601	0.4
109.10169	0.5
116.88900	0.2
117.19893	0.2
119.08599	0.4
121.10149	0.3
123.11700	0.3
125.00021	28.4
133.10147	0.3
144.15781	0.2
163.01553	0.7
163.29639	0.2
184.07362	100.0
185.07774	0.4
194.87918	0.2
258.11124	1.1
337.27255	1.0
502.25696	0.3
502.33035	7.4
520.34064	21.8
521.34601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03951	1.0
55.01872	0.4
57.02228	0.3
69.55418	1.7
69.55828	0.7
70.06599	0.9
71.36996	0.3
77.03918	0.5
79.05486	0.7
84.04494	0.5
85.02902	0.7
86.09726	1.2
91.05483	1.0
95.04976	1.3
97.02859	0.5
101.07172	0.4
102.85715	0.4
103.05481	57.8
104.05782	0.5
105.07051	4.3
107.04994	0.7
115.05494	1.0
119.04959	0.8
120.08130	1.0
121.06536	0.3
131.04945	100.0
132.05263	0.8
133.06488	3.2
137.05983	3.9
147.04428	1.4
154.18730	0.3
161.05992	8.9
161.07249	0.6
163.07565	27.7
175.07570	0.9
179.07111	0.5
187.07552	1.2
250.41211	0.4
257.22885	0.4
265.31619	0.4
279.10187	0.5
291.10373	0.4
311.12790	0.7
353.71191	0.3
359.07278	0.3
380.88306	0.4
401.20538	0.4
521.20984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
54.50127	0.6
54.62054	0.5
56.59862	0.7
56.96572	0.9
69.03432	1.6
70.06597	5.0
71.06916	0.6
71.24360	1.2
79.05486	1.3
84.04495	0.9
85.02907	1.2
86.09726	1.0
91.05485	1.0
95.04953	1.2
98.97569	1.6
99.39886	0.6
100.44814	0.7
103.05476	52.9
105.07031	4.6
115.05422	1.0
119.05003	0.9
120.08115	1.0
128.98503	0.6
131.04938	100.0
133.06516	3.4
137.05984	2.1
147.04485	1.3
161.05998	9.1
163.07559	26.1
179.07135	0.8
187.07529	1.3
359.08005	1.0
383.14764	0.7
503.20966	1.0
521.20612	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91702	0.5
53.03928	1.9
53.85187	0.7
55.01873	1.7
55.05273	0.7
55.05516	11.4
57.03416	1.7
57.07082	24.9
63.66509	0.7
65.03930	1.2
67.05508	19.5
69.03412	1.2
69.06728	0.6
69.07076	9.2
69.24934	1.0
69.25334	4.5
71.04974	2.3
71.08639	16.8
71.87118	0.5
73.02901	0.6
77.03919	0.6
79.05498	19.6
81.03403	1.8
81.06586	1.2
81.07061	23.2
83.04965	1.8
83.08625	12.1
85.06531	0.9
85.10189	10.0
91.05484	6.9
93.07053	28.7
95.04967	4.6
95.08615	42.8
97.02886	2.9
97.06517	2.4
97.10188	4.5
99.04462	2.9
103.05453	0.9
105.07037	6.6
107.04958	6.9
107.07868	1.0
107.08598	20.1
109.06561	0.8
109.10165	7.3
111.04444	1.0
111.08067	0.8
117.07024	7.4
119.08599	7.2
119.27155	0.5
121.06541	4.0
121.09331	0.7
121.10152	9.0
123.11684	2.1
125.05981	2.3
129.06998	0.9
130.07790	2.0
133.10123	2.5
135.08083	1.8
135.11702	35.0
137.13264	1.0
139.07536	0.8
139.11195	0.7
143.08667	0.7
145.10133	20.4
145.57196	0.6
153.12759	0.9
163.11195	48.8
164.11472	0.8
181.12239	11.2
209.11757	2.4
214.73436	0.5
221.60239	0.5
223.58453	0.6
227.12798	100.0
228.12952	0.7
231.75403	0.5
239.23769	4.3
248.96780	0.6
521.38416	58.6
522.38550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
53.72422	0.9
55.01880	5.5
55.05515	23.7
57.03431	3.8
57.07080	47.1
58.03394	1.0
59.05009	1.6
65.03951	1.8
67.05508	33.5
69.03428	1.7
69.06721	1.4
69.07077	17.5
71.01311	1.0
71.04994	4.0
71.08636	33.3
71.54848	1.5
79.05499	32.2
81.03428	8.2
81.07063	44.2
83.01353	3.1
83.04980	10.7
83.08620	24.1
85.02917	1.7
85.10184	15.9
88.82036	1.3
91.05482	16.4
93.06474	2.3
93.07050	40.0
95.04967	8.5
95.08611	60.1
97.02908	3.4
97.06535	4.7
97.10178	9.5
99.04462	4.7
105.07032	12.6
107.04961	10.7
107.08596	25.7
109.06522	4.3
109.10169	18.1
111.04466	2.9
111.08086	2.1
111.11691	2.4
115.05487	1.3
116.74584	1.0
117.07024	12.2
119.08592	13.4
121.06509	5.9
121.10146	12.6
123.08066	4.0
123.11727	4.4
125.06001	3.0
125.09615	1.7
129.06987	2.0
129.37930	1.0
130.07790	2.4
131.08566	2.9
133.10144	3.8
135.08066	2.7
135.11700	42.8
137.13274	2.6
139.07544	1.7
143.08551	1.4
145.06529	1.2
145.10127	26.0
153.12747	3.2
163.11195	63.2
173.09683	2.8
181.12244	13.1
191.10713	3.4
209.11732	9.2
211.13327	1.4
221.22629	1.2
227.12791	90.4
239.23680	8.2
243.60042	1.1
265.14484	1.6
267.15952	1.3
276.74017	1.0
313.27509	1.8
521.38434	100.0
522.38708	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	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90245	1.9
53.03948	5.5
55.01883	4.1
55.05515	44.5
57.03437	19.1
57.06826	2.6
57.07080	35.7
67.05508	36.5
67.13348	2.0
69.03443	3.4
69.07070	40.5
71.05000	3.7
71.08637	21.6
79.05492	32.4
81.03423	78.2
81.07063	35.0
83.04988	10.6
83.08622	47.1
85.02914	2.8
85.10195	11.0
88.56339	1.6
88.79723	1.8
91.05480	27.0
93.07057	35.6
95.04969	23.5
95.08616	42.0
97.02891	4.7
97.06545	6.0
97.10175	24.6
99.04482	3.0
105.04536	1.7
105.07046	17.8
107.04961	11.6
107.08610	20.1
109.06528	4.6
109.10156	8.9
111.04460	1.8
111.08071	6.4
111.11724	6.2
111.24929	1.7
115.05450	3.0
116.60919	1.5
117.06982	9.2
119.08594	18.8
121.06514	7.0
121.10155	16.2
123.04451	1.7
123.11739	3.5
125.13280	2.2
129.07007	8.4
131.08583	9.6
131.39636	1.5
133.06549	2.6
133.10144	7.6
135.11691	35.7
135.12715	2.6
145.10118	20.9
147.11728	5.5
149.09630	5.3
157.10129	9.0
163.11198	40.1
175.11241	6.9
181.12283	8.8
186.81813	2.0
193.10503	1.8
193.12248	53.4
209.11838	3.4
211.13364	7.5
227.10541	4.5
227.12796	90.6
237.22165	3.9
239.23610	3.2
249.15005	5.1
267.15924	100.0
273.80917	1.9
311.25809	56.3
374.36313	1.9
429.33661	4.7
474.08313	1.9
497.43301	2.0
503.37411	26.1
521.38477	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01873	2.1
55.05264	1.6
55.05516	26.7
57.03441	14.5
57.07080	14.8
67.05177	1.4
67.05511	19.5
69.03431	3.0
69.07076	31.2
69.78764	5.5
71.04968	3.3
71.08636	9.5
79.05502	16.8
81.03425	87.6
81.07060	21.3
83.04992	6.0
83.08627	37.7
85.02914	3.2
85.10178	4.2
86.03970	1.0
91.05492	16.6
93.07044	13.0
95.04977	21.0
95.08607	12.8
95.86937	1.0
97.02884	1.8
97.06535	3.6
97.10184	18.8
99.40559	1.1
105.07036	13.5
107.04935	6.0
107.08591	8.4
109.06519	4.2
109.10169	3.4
111.04467	2.1
111.08092	7.0
111.11721	4.2
115.05438	1.3
117.07037	2.4
119.08592	12.0
121.06504	3.1
121.10156	9.5
123.04458	1.7
123.08101	2.6
123.11719	2.8
125.09719	1.2
125.13273	1.4
125.77652	1.0
129.07060	7.7
131.08582	7.7
133.06506	2.6
133.10147	3.2
135.08073	2.0
135.11676	4.9
137.09612	1.4
139.11240	1.1
142.07814	4.0
143.08482	1.4
144.09175	1.0
145.10147	5.0
146.10489	1.2
147.08012	3.5
147.11700	6.8
149.09639	5.6
155.08492	1.1
157.09016	1.5
157.10124	8.0
163.11189	4.4
165.09096	1.1
165.12804	2.3
175.11221	9.2
181.12286	2.9
191.10721	1.5
193.12265	48.9
194.12498	1.2
209.11694	2.4
211.13338	4.4
219.21172	1.4
221.15306	2.0
223.13376	1.1
227.12845	6.5
235.16615	1.1
237.22095	2.8
239.23579	1.2
249.14981	2.7
250.29405	1.0
261.58633	1.0
263.16129	1.0
267.15930	100.0
268.16309	2.3
311.25833	57.1
312.26147	1.2
313.27386	2.2
323.86514	1.0
429.33682	6.0
441.29593	2.3
459.01480	1.0
503.30450	1.8
503.37366	28.1
504.37219	1.2
504.79584	1.1
521.37286	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	522.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05272	0.6
55.05519	11.5
57.03191	0.6
57.03444	6.2
57.07069	1.9
60.04528	0.6
60.08179	2.5
60.93233	0.5
65.03957	1.3
67.05514	23.6
69.06728	0.9
69.07079	15.4
71.04974	1.0
71.07359	0.6
71.08620	0.7
76.63519	0.6
79.05505	7.8
81.03377	0.6
81.07066	26.4
82.07359	0.6
83.04987	1.3
83.08629	7.5
85.06549	1.0
86.09720	6.9
87.10048	2.0
88.04008	5.1
91.05478	3.6
93.07064	7.6
95.08616	19.6
96.41667	0.5
97.06547	1.5
97.10177	3.1
98.98475	5.2
99.08123	0.7
101.51093	0.6
104.10759	13.1
105.07035	3.1
105.11105	3.8
106.05007	1.3
107.08602	3.5
109.10168	7.3
111.08088	0.9
111.11674	0.6
119.08577	2.1
121.10156	3.0
123.11689	3.1
124.06960	0.5
125.00043	3.3
131.64644	0.7
133.10112	2.7
135.11696	1.3
137.13310	0.9
142.29390	0.5
147.11691	1.5
149.02286	1.0
149.13226	1.0
151.03290	0.5
151.14793	0.7
155.00999	0.5
161.13245	0.7
173.02151	1.0
175.14847	1.0
184.07370	9.6
185.07666	3.1
186.07800	2.4
193.04962	0.9
237.07701	0.7
245.22566	0.7
263.23715	1.5
337.27399	100.0
338.27655	2.4
350.26920	1.7
492.06052	0.6
504.33923	1.2
522.34393	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35579	0.1
55.05515	0.4
56.05037	0.6
57.03451	0.2
58.06641	0.5
60.08167	6.7
63.07851	0.1
67.05508	0.3
69.07075	0.5
70.35342	0.5
71.06985	0.2
71.07379	3.3
73.24535	0.1
81.07066	0.4
83.08619	0.2
86.09711	32.2
95.08664	0.2
98.20702	0.1
98.98476	3.8
104.10747	2.9
115.63359	0.1
125.00012	23.4
126.96963	0.1
184.07349	100.0
185.07661	0.4
211.83604	0.1
258.10999	0.1
271.64691	0.2
504.34778	0.7
522.35461	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05511	1.6
56.05027	1.8
57.03445	0.5
57.07075	0.7
58.06617	2.0
60.08169	17.2
67.05506	1.2
67.85706	0.4
69.07068	2.9
69.84565	1.7
69.84991	0.7
71.07384	7.1
74.58873	0.4
79.05484	0.7
81.07072	1.3
83.08614	1.6
86.09713	53.6
91.32796	0.4
93.07053	0.5
95.08619	1.2
97.10191	0.5
98.98473	4.6
104.10754	99.9
105.11108	0.5
109.10096	0.4
121.10139	0.7
125.00014	30.2
163.01547	0.6
184.07355	100.0
185.07645	0.6
258.10992	0.5
339.29089	1.3
360.87280	0.5
471.94550	0.5
504.34583	8.7
522.35608	28.8
523.36823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02701	3.0
53.03940	6.8
54.41286	3.0
55.01873	8.8
55.05264	6.3
55.05518	93.1
55.20871	3.1
57.03434	16.1
57.07078	17.4
62.95266	2.8
65.03934	4.6
67.05512	90.0
69.03439	7.6
69.07073	23.7
71.08619	11.7
79.05499	74.5
81.03436	26.7
81.07062	100.0
83.04991	10.4
83.08627	58.1
85.06636	3.2
85.10188	4.8
86.09718	3.6
91.05487	29.0
93.07054	58.7
95.04978	10.8
95.08620	58.6
97.06541	4.5
97.10178	95.7
97.10774	6.2
99.08122	3.8
104.10777	5.7
105.07054	20.9
107.04942	3.7
107.08604	72.4
109.10166	34.9
111.08102	3.9
111.12469	3.0
114.35315	3.2
115.12473	3.4
117.07024	12.0
119.08589	19.6
121.10155	24.2
123.11697	14.6
125.09640	83.4
125.10558	4.6
131.08585	16.8
133.10115	18.8
135.08070	13.0
135.11719	21.4
136.93124	10.3
137.13284	6.0
143.10741	4.3
145.10123	10.2
147.11664	11.2
149.13283	9.4
153.09148	4.3
154.94206	18.9
159.11708	6.8
161.13281	5.8
163.14845	8.4
171.10164	8.4
172.95256	22.5
173.13295	10.2
175.82878	2.9
184.07378	9.3
187.14761	8.0
189.11243	70.3
190.96318	7.5
193.12254	13.9
227.12814	68.0
228.97887	10.8
243.21103	10.9
245.13866	86.0
246.99022	4.0
261.22150	64.0
267.15942	20.4
272.68326	3.2
279.23230	8.2
304.24973	3.4
313.27429	25.1
317.24814	13.7
335.25888	56.9
380.64291	3.6
413.30722	5.6
431.31516	4.0
435.41635	4.5
449.19791	5.2
467.21036	7.1
487.33893	9.8
505.35498	19.8
523.23279	14.4
523.36249	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	523.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98418	3.2
52.55384	3.0
53.03934	4.3
53.42960	2.8
55.01868	5.9
55.05272	5.1
55.05515	81.2
56.96548	3.9
57.03445	18.8
57.07092	16.0
59.05009	3.9
63.74455	3.1
67.05509	88.0
69.03428	8.9
69.07086	22.7
71.04972	3.1
71.08624	11.0
71.55478	5.4
79.05495	55.6
80.69382	2.9
81.03419	18.4
81.07063	93.0
83.04973	9.7
83.08624	45.9
85.06548	3.5
85.10156	4.0
86.09697	4.9
91.05492	38.4
93.07051	56.4
95.04965	5.2
95.08615	63.0
97.06567	4.2
97.10180	100.0
105.07026	20.3
107.08601	62.8
109.10170	35.2
111.08105	6.7
117.07001	12.5
119.08584	18.3
121.10165	21.5
123.11695	11.6
124.90822	3.2
124.99972	3.3
125.09643	77.1
129.07050	4.4
131.08592	21.3
133.10118	7.3
135.08022	9.5
135.11699	21.3
136.93109	11.4
137.09576	5.0
137.13272	7.0
143.10637	3.9
145.10103	10.4
147.11684	9.5
149.09583	4.2
149.13284	11.7
151.14819	4.2
153.09102	4.4
154.94177	21.4
159.11702	11.4
161.13283	8.4
163.14804	6.3
171.10139	9.5
172.95270	19.6
173.13269	11.2
175.14670	4.3
177.16368	3.8
184.07349	6.2
187.14865	7.0
189.11230	73.8
190.96358	5.2
193.12265	13.7
210.97083	3.9
227.12793	74.1
228.97795	5.3
233.22838	3.7
243.21074	14.0
245.13870	97.5
246.98697	5.2
261.22198	63.5
267.15921	20.6
279.23328	5.8
292.79340	3.8
313.27243	19.4
317.24823	10.9
335.25797	55.4
353.27005	5.5
431.31369	4.6
449.19379	3.5
450.82748	3.2
467.20551	8.4
487.33926	9.4
505.34540	26.2
523.22760	12.1
523.38879	5.6
546.45160	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	523.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41905	3.7
53.03949	4.3
55.01872	6.8
55.05517	73.9
56.54078	4.1
57.03435	16.5
57.07077	12.0
65.03915	5.1
67.05512	89.0
69.03424	7.6
69.07079	26.5
69.38036	36.7
71.08639	11.1
79.05505	51.7
81.03432	5.1
81.07066	91.6
82.30183	4.9
83.05005	5.5
83.08627	51.5
91.05485	35.1
93.07059	59.1
95.04998	6.5
95.08619	68.5
97.06569	7.1
97.10183	93.3
98.98492	11.8
105.07030	21.7
107.08594	51.6
109.10151	31.1
111.08082	5.1
117.07046	10.6
119.08559	12.5
121.10155	25.6
123.11720	11.4
125.09640	74.2
131.08589	17.1
133.10133	9.8
135.08087	5.4
135.11708	14.3
145.10132	11.9
147.11722	9.2
149.13297	10.9
153.09071	5.1
153.30280	4.3
155.01086	12.7
159.11711	9.5
161.13290	8.2
163.14816	8.7
164.84985	4.4
166.28093	4.7
171.10202	8.3
173.13257	9.2
189.11241	61.8
227.12804	76.8
243.21150	14.6
245.13873	100.0
245.16202	8.1
261.22168	65.8
279.23218	8.6
299.25885	9.8
306.27957	5.7
317.24725	10.2
335.25821	59.4
381.38559	4.3
431.31174	7.8
487.34225	10.4
505.35190	21.5
523.35492	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.3
57.03444	23.9
57.07082	56.4
59.35052	4.8
62.07726	4.4
67.05508	38.1
69.07066	13.6
70.66555	17.1
71.08640	40.7
74.88162	5.3
79.05478	14.0
81.02990	7.5
81.03422	100.0
81.07067	42.4
83.04984	5.5
83.08619	31.8
85.02895	8.6
85.10172	20.3
86.09723	12.2
91.05499	24.9
93.07037	20.0
95.04956	22.6
95.08607	34.6
97.10212	7.9
104.10747	20.2
105.07016	19.3
107.08624	8.5
109.10160	23.5
111.08056	10.2
119.08570	19.5
121.10130	8.9
123.11705	6.2
125.00012	6.4
129.06995	14.3
131.08601	10.7
133.10083	8.7
136.93063	7.7
147.11679	7.4
149.09680	5.6
154.94144	6.9
157.10132	11.1
173.48311	5.4
175.11090	7.9
179.14241	7.7
184.07336	25.1
193.12279	64.9
211.13277	14.8
239.23772	10.1
249.14847	7.4
267.15924	75.8
299.89185	5.4
313.27353	71.8
349.33740	5.2
505.39050	40.3
523.39917	34.8
524.37262	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01861	1.6
55.05516	16.0
57.03447	5.3
57.07082	38.8
60.27415	1.0
65.03924	1.6
67.05510	26.9
69.03429	2.8
69.07077	9.9
70.79493	1.9
71.04993	3.7
71.08637	26.4
79.05502	15.6
81.03425	41.8
81.05131	0.9
81.06585	1.6
81.07064	32.7
83.05003	5.6
83.08624	28.1
85.02426	1.4
85.02912	21.1
85.06550	1.5
85.10189	13.1
91.05490	19.6
93.07047	12.0
95.04977	16.2
95.08616	29.6
97.02911	2.4
97.06550	2.5
97.10176	7.4
99.11745	1.0
105.07038	14.9
107.04941	3.9
107.08589	4.6
109.06524	2.8
109.10169	12.9
111.04462	2.1
111.08106	6.4
111.11732	1.2
113.06030	1.9
115.05446	1.1
117.07000	1.0
119.04944	0.8
119.08610	12.4
121.06518	1.5
121.10161	6.9
123.08086	1.8
123.11720	5.7
125.09662	1.1
129.07018	6.6
131.08583	6.1
133.06531	2.2
133.10146	5.5
136.93102	4.6
137.13254	2.9
142.07794	1.9
147.08073	1.4
147.11681	8.4
149.09636	3.6
154.94194	7.6
157.10172	8.7
165.12827	2.3
172.95268	5.9
175.11195	10.6
193.12263	45.5
195.96802	1.0
210.97722	2.7
211.13312	50.0
221.22681	1.0
228.97861	4.1
239.23698	7.7
249.14822	1.1
267.15961	6.5
313.20486	1.0
313.27454	8.4
449.19461	1.9
467.20886	3.9
505.39313	4.2
523.23993	6.7
523.40009	100.0
524.40338	3.3
539.05225	0.9
549.36664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.05513	24.8
57.03438	18.8
57.07080	56.3
67.05511	35.2
69.07071	16.6
69.22417	5.6
69.22813	23.2
71.04988	8.6
71.08640	30.4
79.05505	21.1
81.03424	100.0
81.03919	4.8
81.07068	35.5
83.04983	7.0
83.08154	2.4
83.08629	36.8
85.02910	9.1
85.06552	2.8
85.10190	18.7
87.43837	2.3
91.05479	24.6
93.07056	13.8
95.04975	29.8
95.08599	31.4
97.02941	3.7
97.10197	12.1
105.07015	12.6
107.04980	4.9
107.08611	3.7
109.10175	20.7
111.04420	3.2
111.08089	6.7
111.11792	2.1
119.08590	20.7
121.06467	3.1
121.10148	6.5
123.11729	3.9
129.07002	9.4
131.08559	9.2
133.06532	3.5
133.10176	4.4
135.11668	3.4
137.09651	3.0
147.11684	8.5
149.09648	6.5
157.10143	13.7
165.12708	3.9
175.11269	12.8
191.41907	2.5
193.12260	60.6
211.13295	19.0
239.23781	11.1
249.14966	2.5
251.20938	2.4
267.13007	3.3
267.15945	92.1
313.27386	99.5
357.82700	3.2
505.38971	52.4
523.39923	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.8
56.15456	8.2
57.03439	16.1
57.07082	50.5
63.41323	5.0
67.05518	37.9
68.79476	5.2
69.07071	17.1
71.08629	33.7
71.55450	5.5
71.55863	6.1
75.91932	5.9
79.05511	13.3
81.02982	8.5
81.03431	100.0
81.07052	31.4
83.08640	31.7
84.27624	5.4
85.02939	5.5
85.10179	14.4
91.05480	25.7
93.07059	12.3
95.04990	30.8
95.08617	30.5
95.41451	4.9
97.10199	7.5
105.07046	16.5
107.04980	6.7
109.10151	15.7
111.08102	6.9
119.08590	10.6
121.10131	12.2
123.11686	6.0
131.08589	7.5
135.87218	5.4
154.61475	5.4
156.77211	5.5
157.10147	9.8
175.11217	14.6
193.12250	57.0
206.75972	4.9
211.13332	18.9
267.15955	83.9
313.27411	93.6
505.39029	58.5
523.39990	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01870	4.6
55.05516	23.8
57.03454	10.7
57.07080	49.3
65.03938	3.1
67.05508	41.7
69.03442	4.1
69.07071	16.5
71.04983	5.3
71.08642	36.2
79.05495	21.6
81.03421	51.7
81.07063	48.0
83.04984	9.6
83.08630	30.1
85.02914	24.7
85.06540	2.9
85.10184	18.7
91.05482	27.9
93.07033	13.3
94.90119	1.8
95.04988	19.6
95.08617	42.1
97.02901	3.7
97.06559	2.9
97.10180	9.4
105.07034	20.1
107.04986	3.3
107.08596	9.3
109.06540	3.0
109.10175	14.5
111.04441	2.2
111.08090	10.6
113.06071	2.9
115.05377	1.9
117.07047	2.8
119.08605	12.8
121.06507	2.4
121.10152	10.1
123.11739	5.4
129.07018	9.8
131.08589	9.6
133.10132	7.4
136.93144	13.2
142.07828	2.2
145.10115	3.1
147.08044	4.2
147.11674	11.6
149.09634	6.3
154.94203	20.0
157.10089	10.3
165.12808	2.5
172.95270	26.3
175.11171	12.5
190.96341	8.0
193.12263	48.3
195.96913	2.7
210.97823	4.1
211.13333	54.4
228.97905	9.8
239.23784	8.8
246.98973	4.0
267.16013	8.1
313.27374	14.5
449.19891	6.5
467.20715	4.9
505.39313	2.9
523.23608	19.2
523.40088	100.0
524.40204	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	523.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69837	1.3
53.03943	2.7
55.05307	1.8
55.05519	20.2
57.03432	6.2
57.07080	44.4
65.03924	3.2
67.05511	33.3
68.59608	1.4
69.03432	2.7
69.07076	14.0
69.23981	4.5
69.24407	10.1
71.04988	4.7
71.08282	2.4
71.08643	32.6
77.90679	1.3
79.05499	21.6
81.02980	3.0
81.03426	42.4
81.07060	41.7
83.04990	8.5
83.08625	29.0
85.02917	22.3
85.06557	2.0
85.10188	18.6
91.05489	24.9
93.07059	14.6
95.04966	18.5
95.08621	35.0
97.06548	2.1
97.10179	8.6
105.07047	19.2
107.04936	2.9
107.08613	5.9
109.06527	4.0
109.10158	16.8
111.08105	9.2
111.11745	1.8
119.08588	16.5
121.10161	7.7
123.11727	6.8
129.07028	8.1
131.08568	7.6
132.65944	1.5
133.10139	8.5
137.13330	2.2
142.07744	2.4
145.10106	2.3
147.08095	4.3
147.11667	10.5
149.09625	4.6
157.10107	11.2
165.12793	3.1
175.11185	12.7
193.12256	47.6
211.13304	52.3
211.15276	3.2
235.83084	1.6
239.23785	5.5
267.15927	11.4
305.05569	1.7
313.27518	6.8
340.43600	1.6
505.39011	5.0
523.40039	100.0
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
54.07687	0.2
55.05500	0.5
56.05047	1.5
57.03431	0.6
57.07076	2.7
58.06589	1.7
60.08167	18.8
67.05501	0.8
69.07074	0.4
69.22011	0.9
69.22433	1.4
71.07378	6.4
71.08628	1.7
81.07056	1.0
83.08624	0.7
85.02934	0.3
85.10175	1.0
86.09709	53.2
89.10587	0.2
95.08608	1.1
97.10159	0.4
98.21517	0.5
98.98463	3.8
104.10749	100.0
109.10159	0.5
125.00008	27.4
163.01566	0.8
184.07347	95.1
258.11026	0.7
258.69263	0.2
341.30539	1.4
404.63986	0.3
447.29007	0.4
506.36121	8.6
524.37140	27.7
525.37390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.2
55.05513	13.7
57.03441	14.2
57.07089	3.1
59.05005	3.5
66.33828	1.5
67.05514	100.0
69.03439	1.5
69.07076	8.1
71.04999	3.6
71.26648	2.9
79.05502	24.3
81.03419	5.3
81.07069	36.9
83.04989	2.0
83.08627	9.0
85.06515	1.8
87.31672	1.7
91.05503	13.7
93.07060	25.6
95.04997	2.7
95.08622	28.4
97.06531	2.5
97.10144	1.5
101.59606	1.5
105.07034	6.1
106.19557	1.6
107.08614	10.8
109.10170	69.8
111.08081	2.4
117.07037	1.8
119.08600	11.5
121.10149	9.9
123.11737	3.9
131.08557	5.7
133.10120	5.8
135.11694	6.2
137.09633	2.4
138.85832	1.5
145.10124	3.0
147.11697	1.9
149.13266	2.9
155.10701	8.7
159.11757	2.3
161.13315	3.6
163.14793	2.9
166.81926	1.7
173.11771	19.0
173.13213	2.6
229.14384	66.9
243.21075	3.1
261.22113	12.2
267.16132	3.0
268.16327	3.2
277.58005	1.9
288.67505	1.4
314.27692	2.4
317.24628	2.9
335.25845	71.3
336.26334	2.7
489.35757	34.0
506.39276	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	525.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.7
65.91563	0.8
67.70837	1.2
69.64372	3.2
69.64800	2.7
71.95264	1.3
97.23518	1.0
98.97588	84.5
116.98624	41.9
134.99670	11.6
140.00240	1.0
153.00679	1.1
159.27229	1.1
168.64354	1.0
187.19142	0.9
198.97931	1.0
216.98953	3.9
234.99991	6.0
240.98743	11.1
243.02065	1.0
250.97890	1.1
256.96573	2.0
258.99826	95.3
260.00037	3.3
261.03107	2.3
274.97705	7.3
277.00861	81.1
278.01215	3.0
282.01337	1.7
282.99991	33.4
284.00201	2.2
284.99738	1.2
292.98819	1.8
298.97910	5.9
299.98016	1.9
300.02695	1.3
300.97583	2.3
301.01047	29.9
302.01245	1.7
316.98837	8.4
317.98996	2.3
322.97510	1.2
326.76212	1.1
359.00089	11.8
364.98978	2.5
382.99942	29.7
384.00134	1.7
401.01071	100.0
402.01154	7.1
405.21814	1.1
407.00266	1.0
416.99084	1.8
419.02310	7.5
424.02527	3.1
425.01398	4.2
443.02512	7.7
444.02405	1.3
459.99857	1.5
461.00003	1.1
471.52756	1.2
482.99255	1.3
507.00177	7.1
525.01318	61.4
526.01575	4.3
542.98767	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	525.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.5
56.96570	1.7
57.03448	2.7
59.60850	1.1
64.03316	1.4
67.05508	4.1
69.07089	2.6
69.33501	1.2
79.05511	3.9
81.03434	3.0
81.07051	4.8
85.02928	2.9
91.05499	1.6
93.07050	4.8
95.04993	2.3
95.08625	2.4
97.02912	1.3
97.06548	5.6
98.21553	4.0
99.08111	1.2
105.07054	2.9
107.08645	3.2
109.10181	1.5
117.07021	1.2
119.08623	1.6
120.08172	1.5
121.10155	2.7
145.10097	1.9
151.03906	1.7
185.04413	1.5
206.07307	1.4
215.07097	1.6
243.04768	1.7
245.06462	3.5
259.16708	2.7
261.18323	2.6
277.17856	2.5
287.03659	7.3
289.05328	55.9
297.56815	1.4
319.17880	1.7
401.20557	1.6
405.13446	1.8
439.23325	3.6
481.24152	28.5
507.21964	1.7
525.23108	100.0
525.29889	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	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51488	4.2
55.01884	4.8
55.05512	18.9
57.03428	4.6
57.07068	14.8
67.05513	25.3
69.03433	11.4
69.07072	47.6
70.00830	17.1
70.06592	4.9
71.05001	4.8
71.08660	3.5
77.53980	3.6
79.05482	17.5
81.07063	100.0
83.04977	6.3
83.08621	18.4
85.02901	13.3
85.06541	28.3
91.05470	6.7
93.07050	48.5
95.04995	4.0
95.08607	60.4
96.28047	3.5
97.02885	7.6
97.06551	8.8
97.10130	4.8
98.21459	5.4
99.08105	27.9
105.07049	9.7
107.08607	41.6
109.10169	48.3
111.08101	4.1
119.08566	8.4
121.10136	17.7
123.11700	25.2
125.09627	16.7
127.11160	9.4
133.10129	3.9
135.11700	11.5
137.13271	11.6
139.11177	13.7
147.11778	4.7
149.13266	51.9
151.14798	5.1
153.12730	4.0
163.03899	8.1
163.14799	16.6
167.14339	23.1
171.13797	29.4
177.16333	4.5
206.00644	3.3
225.14050	3.9
269.34949	4.7
273.25760	7.6
279.26874	12.7
291.26849	42.7
297.27991	26.9
309.27878	37.1
327.29080	18.5
345.29974	7.5
486.26636	4.3
526.30035	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	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09485	1.4
55.01892	1.6
55.05513	15.1
57.03446	10.7
57.07071	4.2
58.26374	1.5
59.05008	2.3
63.05513	1.4
65.03938	3.2
67.05511	100.0
69.07068	15.0
70.67144	4.2
70.67492	1.7
71.04985	3.7
71.13401	1.5
74.71297	1.6
79.05505	8.4
81.07063	37.8
83.08633	11.3
84.48128	1.4
85.06547	2.8
89.06004	8.5
90.86351	1.5
91.05489	9.4
93.07061	10.6
95.08623	24.3
97.10177	3.4
105.07037	3.0
106.37090	1.9
107.08600	5.4
109.10168	76.6
111.08099	3.1
116.01446	1.8
119.08603	6.5
121.10141	4.1
123.11707	2.9
125.09606	1.7
133.08585	7.8
133.10143	3.1
135.11729	2.6
137.09628	3.6
144.47348	1.6
147.11713	1.7
155.10698	10.6
173.11720	19.8
177.11198	1.9
182.28976	1.5
183.71220	1.4
205.02240	1.6
227.47743	1.6
229.14374	95.6
240.18477	1.7
245.22592	2.7
263.23743	5.0
282.79825	1.9
327.20190	5.6
337.27393	84.7
409.83698	1.5
491.37375	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	526.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.2
57.07083	56.2
67.05499	4.9
69.07082	9.1
69.24003	12.8
71.08638	51.8
73.06561	4.3
79.05496	3.9
81.03413	3.1
81.07068	2.6
83.08625	4.3
85.10192	32.1
87.04475	3.6
89.06042	100.0
91.05464	1.3
93.07034	2.6
95.08619	4.3
97.10195	4.0
99.11754	4.8
105.06979	1.4
107.07086	1.9
108.38589	1.1
109.10164	1.9
110.41629	1.3
111.11727	3.6
113.13292	5.7
117.09151	3.2
119.08610	1.7
125.46056	1.3
127.14863	4.0
128.06180	1.2
130.08658	2.2
133.08618	67.3
143.08574	1.4
147.11676	1.3
177.11244	24.2
179.64822	1.3
195.12451	1.7
221.13867	5.7
227.23784	2.0
239.14908	3.7
245.78732	1.3
250.50839	1.3
256.26251	2.8
267.92249	1.4
271.26361	2.8
281.11014	1.3
283.17596	3.3
315.28900	5.3
327.20175	18.7
408.29901	1.4
465.38162	1.6
473.79834	1.3
509.40500	17.1
526.41675	4.4
527.37457	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	527.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01865	2.6
55.05515	23.3
57.03447	5.0
57.07064	1.6
57.40408	0.9
58.33612	0.7
59.05005	2.0
59.94642	0.7
63.36990	0.7
65.03936	1.9
67.05509	47.9
69.03428	1.8
69.07076	10.0
69.76871	1.8
69.77285	2.4
71.04986	3.3
77.03926	0.9
79.05501	36.1
81.03426	36.0
81.07065	37.4
83.04990	3.9
83.08629	15.4
85.02932	0.8
85.06557	2.2
91.05492	28.4
93.07055	29.2
95.04977	13.4
95.08617	22.3
97.02900	1.2
97.06538	2.9
97.10177	11.0
99.08118	1.0
100.98194	0.8
103.05518	1.4
105.04516	1.3
105.07044	23.8
105.07757	1.1
107.04975	2.7
107.08603	21.1
109.06529	2.8
109.09455	1.4
109.10171	20.0
111.08105	4.2
115.05457	2.1
117.07050	10.0
119.08590	18.3
121.06501	2.5
121.10155	13.6
123.08170	1.6
123.11728	2.7
125.09611	6.8
128.06235	2.0
128.77589	0.8
129.07024	10.4
130.07834	1.0
131.08585	19.5
133.06534	1.1
133.10149	12.2
135.08104	1.8
135.11719	8.5
137.09625	1.6
141.07010	2.0
142.07768	3.4
143.08583	7.9
145.06516	0.8
145.10138	14.8
147.08131	1.3
147.11697	8.6
149.09615	2.2
149.13292	3.7
151.11215	0.8
153.09099	1.2
155.08609	4.1
156.09404	0.8
157.10141	12.8
159.11725	10.6
161.09608	1.1
161.13225	4.4
163.14828	1.5
165.07037	0.9
165.12793	1.6
167.08623	2.3
169.10175	5.5
171.08086	1.0
171.11649	5.8
173.11868	1.5
173.13298	6.9
175.11205	4.4
175.14871	1.8
179.08586	1.0
179.14287	0.8
181.10194	2.2
183.11702	6.1
185.13278	4.5
187.14874	3.4
189.11206	5.6
189.12733	0.9
193.10414	1.2
193.12257	19.5
195.11758	2.0
197.13310	4.6
199.14850	3.4
201.16405	1.6
203.14267	0.9
209.13330	2.1
211.14891	3.4
213.12859	0.7
213.16443	1.4
221.13295	0.7
223.14810	2.3
225.16423	2.4
239.18109	0.8
243.21185	1.8
249.14827	2.3
261.22247	5.0
265.19592	1.2
297.22440	1.0
299.20432	0.9
299.23709	1.9
301.21805	0.8
301.25195	3.5
309.22278	1.2
317.24872	0.9
327.23364	0.9
339.23029	1.2
379.26199	1.3
383.24667	2.1
417.31677	3.4
425.34332	0.9
435.32587	10.5
453.33789	8.5
471.34769	7.1
509.36249	4.3
527.37372	100.0
528.37799	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	527.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.9
52.73726	0.8
53.03953	4.5
55.01880	3.4
55.05517	21.4
55.05783	1.1
57.03428	2.6
57.07075	3.4
59.04996	1.0
65.03939	1.9
67.05512	43.2
69.03428	1.9
69.06783	0.8
69.07086	9.4
70.32288	0.7
71.04995	2.0
71.08652	1.2
71.30503	1.2
79.05502	35.0
79.05965	1.7
80.69777	0.8
81.03429	37.9
81.07068	33.1
83.05010	4.9
83.08633	13.5
85.06541	1.7
85.10202	1.2
89.06032	1.8
91.05489	27.6
93.07054	29.7
95.04987	13.4
95.08611	19.3
97.06549	2.8
97.10178	8.4
99.08073	1.1
105.07043	23.2
107.04971	3.9
107.08606	19.2
109.06527	3.2
109.10174	11.9
111.04456	1.2
111.08096	4.3
115.05476	2.1
117.07025	10.8
119.08601	18.6
121.06525	1.8
121.10162	14.9
123.08094	1.8
123.11731	2.2
125.09646	7.9
128.06230	1.9
129.07028	9.7
131.08583	17.3
133.06522	2.1
133.08604	1.0
133.10152	10.1
135.08078	2.1
135.11694	8.8
137.09631	1.5
137.13307	0.9
141.07024	2.7
142.07802	1.9
143.08578	7.1
145.10130	13.3
147.08076	2.4
147.11710	9.9
149.09676	1.3
149.13274	5.3
151.11118	0.7
153.07024	1.0
155.08545	4.6
156.09346	1.2
157.10146	10.1
159.11699	9.4
161.09641	1.1
161.13266	4.0
163.11174	0.8
163.14883	1.0
165.12813	1.2
167.08563	1.8
168.09383	0.8
169.10164	5.2
171.10237	1.4
171.11726	5.8
173.11868	1.3
173.13316	5.6
175.11215	4.9
175.14888	2.0
176.55692	0.7
181.10210	2.6
183.11739	4.0
184.06241	0.9
184.66714	0.8
185.13310	4.1
187.14897	3.4
189.11241	4.9
189.16443	0.8
193.10435	1.4
193.12256	21.4
195.11760	1.5
197.13278	3.4
199.14856	2.8
201.16385	1.1
209.13341	2.0
211.14838	1.8
213.16423	0.9
219.11945	0.7
223.14809	1.3
225.16351	1.0
237.97922	0.7
243.21117	1.6
249.14946	2.9
261.22202	4.7
267.16006	1.7
277.21683	0.9
295.20493	0.8
297.22205	1.3
299.23709	2.0
301.25311	2.8
309.22086	0.8
317.24835	2.0
327.23489	1.1
337.25311	1.4
355.26547	0.9
417.31677	2.9
435.32620	9.6
453.33646	10.4
471.34869	6.6
505.69846	0.8
509.36536	3.7
527.37396	100.0
528.37762	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	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35194	0.7
51.02376	1.0
53.03952	5.5
54.60095	0.6
55.01869	3.4
55.05516	21.1
57.03451	3.6
57.07075	1.8
59.05012	0.8
60.47277	0.6
62.81038	0.7
65.03941	2.1
67.05511	46.4
69.03423	2.2
69.07077	12.6
70.94041	1.6
71.04999	2.2
75.43835	0.7
79.05500	37.2
81.03424	41.1
81.07063	35.2
81.07439	0.5
83.04987	3.0
83.08621	15.4
85.06550	2.3
86.09715	1.2
91.04907	0.9
91.05486	28.5
93.07050	30.0
95.04974	13.4
95.08611	22.5
97.02921	1.0
97.06532	2.9
97.10165	9.4
103.05486	1.4
104.10750	2.0
105.07043	21.1
107.04968	3.2
107.08611	18.1
109.06524	2.6
109.10165	14.7
111.04470	1.4
111.08079	4.8
115.05451	2.7
117.07034	11.7
119.04923	0.7
119.08592	19.3
121.06535	2.1
121.10153	13.1
123.08045	1.8
123.11714	2.6
125.00103	0.8
125.09648	5.7
128.06252	2.2
129.07019	10.8
130.07808	0.7
131.08575	19.1
133.06508	1.9
133.10138	11.4
135.08067	1.9
135.11694	8.4
137.09575	1.5
139.11194	0.8
141.07005	2.4
142.07848	1.7
143.08559	8.1
145.06558	0.8
145.10138	14.9
145.11279	1.0
147.08043	1.7
147.11696	8.6
149.09659	2.6
149.13254	5.3
153.07138	0.7
153.12714	0.8
155.08551	5.8
156.09294	0.9
157.10152	12.9
159.11694	9.6
161.09561	1.1
161.13260	4.7
163.11156	1.2
163.14844	1.6
165.12762	0.8
167.08578	1.5
169.10158	5.4
171.11702	6.5
173.11780	1.6
173.13295	5.9
175.11212	4.1
175.14804	1.6
179.08627	0.7
181.10181	2.0
183.11728	5.8
185.13260	5.4
187.14853	2.8
189.11232	3.7
189.16414	0.8
191.14317	0.7
193.10339	1.3
193.12250	18.1
195.11772	2.2
197.13264	5.0
199.14911	2.4
201.16431	1.2
207.11784	1.0
209.13315	2.4
211.14861	2.3
213.16454	2.1
221.13281	1.5
223.14874	1.7
233.09718	0.8
235.14803	1.2
237.16438	1.0
239.17876	1.0
243.21138	1.9
249.14848	1.9
261.22119	6.7
267.15906	1.5
267.20981	0.8
283.20789	0.9
283.23987	0.9
285.22452	0.8
297.21988	0.9
299.23807	2.2
301.25067	3.2
309.22128	1.1
311.23880	1.1
315.23184	1.0
317.24799	1.8
327.23233	1.4
329.24887	0.9
337.25119	0.9
355.26370	1.0
417.31561	2.1
435.32617	11.0
453.33633	12.1
471.34726	8.5
473.34436	1.0
509.36343	4.6
527.37354	100.0
528.38074	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	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03940	5.5
55.01872	3.3
55.05519	20.6
55.05911	1.3
57.03437	3.6
57.07085	1.4
65.03927	2.9
65.05779	1.5
67.05511	47.1
69.03441	2.1
69.07074	13.6
69.16885	14.6
71.05000	3.2
79.05498	35.3
81.03426	38.8
81.07064	35.6
83.05001	3.3
83.08628	15.0
85.06558	3.2
91.05484	31.4
93.07047	30.4
95.04978	11.8
95.08617	21.1
97.02933	2.9
97.06548	3.3
97.10197	8.6
105.07031	20.4
107.04947	2.0
107.08609	20.2
109.06519	2.3
109.10169	16.5
110.80431	1.2
111.08099	4.3
115.05481	1.2
116.06229	1.5
117.07028	10.1
119.04959	1.4
119.08589	19.9
121.06522	1.5
121.10152	12.8
123.08069	2.0
123.11695	2.3
125.09618	8.1
128.06242	2.0
129.07021	7.9
131.08583	16.4
133.06572	1.9
133.10132	12.5
135.08113	2.3
135.11719	6.8
137.09572	1.4
141.06996	2.6
142.07826	2.1
143.08563	7.3
145.10117	11.4
147.08124	1.5
147.11696	8.8
149.09663	2.9
149.13332	3.9
153.09119	1.7
155.08568	4.9
157.10124	11.8
159.11703	9.4
160.19455	1.5
161.09659	1.5
161.13326	3.4
161.37834	1.5
163.11206	1.8
167.08537	2.8
169.10179	5.7
171.11742	5.8
173.11885	2.5
173.13321	6.1
175.11206	3.5
175.14839	3.2
179.32585	1.4
181.10219	3.2
183.11783	4.0
185.13274	4.6
187.14841	2.9
189.11243	5.4
193.12248	19.0
195.00410	3.1
195.11658	2.5
197.13300	3.8
199.14835	3.7
209.13327	2.5
211.14883	2.3
213.16418	2.0
220.08955	1.6
223.14944	1.9
225.16451	1.7
235.11172	3.3
243.21135	1.7
248.08440	2.1
249.14963	3.4
261.19760	1.4
261.22067	7.1
263.10782	11.8
264.11490	2.8
265.12439	2.3
267.16010	2.1
297.22150	1.7
301.25433	3.9
341.24710	1.8
417.31696	2.2
435.32693	10.0
445.01749	1.7
453.33722	10.2
454.78149	1.2
471.34760	7.0
509.36438	3.6
527.22021	5.2
527.37439	100.0
528.37598	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	528.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
53.12570	4.3
55.01877	8.2
55.05523	26.5
57.03436	18.2
61.02932	7.3
62.66077	5.6
67.05507	46.8
69.03442	13.0
69.07073	14.8
71.04989	11.9
79.05502	55.7
81.03427	56.8
81.07067	53.0
83.04977	16.2
83.08636	28.9
85.02911	36.1
91.05499	49.6
92.59739	5.1
93.07059	59.8
95.04969	38.0
95.08618	49.4
97.02897	14.2
97.06525	13.8
99.04475	5.2
103.05506	5.8
105.07039	29.1
107.04955	14.2
107.08593	51.0
109.06515	8.1
109.10159	11.0
111.08091	6.1
111.37916	5.1
117.07056	9.8
119.08575	24.3
121.06564	12.8
121.10159	23.9
123.08060	6.0
129.06990	9.6
131.08600	10.1
133.10133	18.1
135.11719	56.5
145.10124	39.1
146.29280	5.3
147.08151	7.2
147.11720	11.1
157.10155	19.2
163.11220	70.0
163.67973	5.7
175.11200	10.7
181.12231	10.1
193.12256	36.9
209.11676	8.6
211.13312	61.7
212.02002	5.5
216.49843	5.2
218.60991	5.4
227.12814	99.6
235.11101	10.5
236.11238	6.5
246.77637	5.1
263.10651	9.3
264.11160	7.0
267.15967	24.3
283.15430	61.3
285.16977	100.0
475.26984	22.6
493.21396	5.7
493.28082	76.7
496.53000	5.6
497.85437	5.9
513.42706	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	528.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01889	12.2
55.05519	32.7
57.03442	19.3
59.05009	3.9
65.03960	4.2
67.05512	33.2
69.03436	6.4
69.07069	10.6
69.80367	12.5
71.04995	7.5
74.94898	2.2
79.05501	45.1
81.03426	76.0
81.06589	2.4
81.07063	42.1
83.01340	11.7
83.04986	26.1
83.08627	28.9
83.98909	2.2
85.02913	26.4
85.06525	3.2
90.27114	1.9
91.05493	45.1
93.07048	39.2
95.04971	37.2
95.08613	19.2
97.02925	5.3
97.06550	7.9
97.10145	6.8
99.04448	2.9
105.07034	33.6
107.04964	19.3
107.08597	19.6
109.06544	12.2
109.10163	6.6
111.04475	2.8
111.08078	12.2
113.05984	2.8
115.05465	3.5
117.07027	8.9
119.08591	27.9
121.06496	4.4
121.10146	18.8
123.08078	9.8
125.09639	2.7
129.07001	12.5
129.37108	2.2
131.08536	14.8
133.06523	3.4
133.10159	11.6
135.08101	2.5
135.11696	11.3
137.09612	5.0
143.08519	2.5
145.10144	16.3
145.55186	2.0
147.08058	7.5
147.11728	12.4
149.09624	8.9
153.12802	2.6
157.10149	15.1
163.11214	26.8
165.12761	3.4
173.09636	4.3
175.11197	14.7
181.12254	5.7
190.18530	2.3
191.10602	4.0
193.12248	50.1
194.12535	2.7
209.11713	12.2
211.13316	87.6
227.12831	7.3
267.15918	19.3
283.15421	100.0
285.16977	59.7
475.26883	13.6
493.27957	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	528.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	25.7
57.03431	14.0
57.07076	20.2
67.05234	7.3
67.05515	90.0
69.07060	21.1
71.04989	22.0
71.08618	6.7
71.55717	9.3
79.05491	8.7
81.07072	41.0
83.08620	23.6
85.02916	9.8
85.10176	9.5
88.11784	5.7
89.06032	8.0
91.05471	10.2
93.07032	17.4
94.74189	6.2
95.08624	20.7
97.10162	9.9
107.08617	7.6
109.10193	59.4
111.08051	7.3
129.27620	6.6
173.11681	14.4
174.96964	7.1
205.76852	6.0
229.14362	100.0
256.33569	7.3
283.26233	12.9
339.29013	78.0
493.38733	64.0
522.11359	7.8
528.35052	14.0
528.49756	13.5
529.39081	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	529.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	12.9
62.05566	1.5
64.33585	1.4
65.09219	1.3
68.45735	1.5
69.03424	2.0
69.91718	7.6
70.06602	6.9
81.03426	2.2
84.96046	4.4
85.02890	2.8
87.95589	1.6
90.10386	1.4
98.20811	2.3
98.97593	25.3
110.07206	2.2
110.97594	9.2
112.99117	2.3
116.07114	2.0
116.98647	8.5
121.02859	1.6
127.03935	2.4
128.98628	7.5
130.06544	1.6
134.99655	3.9
139.03802	1.5
143.00217	3.4
145.02875	1.4
146.99638	3.0
152.98613	2.7
158.99706	3.7
161.01234	2.3
167.07054	30.7
170.99550	2.6
177.00723	2.1
177.05484	2.6
189.00728	3.5
201.00786	2.9
203.02184	1.6
218.36966	1.5
219.01842	14.1
223.02792	3.4
237.02863	19.8
241.03889	5.7
261.02917	1.4
265.03806	6.8
269.03464	3.2
277.03757	2.5
283.04898	12.4
295.04852	4.3
299.08099	1.5
301.05984	10.7
307.05060	1.5
319.04971	3.3
337.05969	6.8
355.07333	4.6
367.07092	15.2
385.07953	7.4
403.09213	14.4
409.08102	4.2
427.09344	3.5
445.10248	8.4
469.10388	8.7
529.13226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44131	0.9
50.65220	0.9
53.03946	1.3
55.01879	1.3
55.05507	3.8
56.96569	1.5
57.03438	2.2
65.03950	7.8
67.05512	55.9
68.94871	1.1
69.03427	2.2
69.07073	2.0
71.56181	1.1
72.50935	0.8
78.94688	1.0
79.05486	4.2
79.58576	0.8
81.03429	3.8
81.07043	1.9
82.61242	0.9
83.04990	10.6
85.02888	2.9
91.05484	3.3
93.03383	1.6
93.07066	1.8
95.04980	94.9
97.02885	1.0
97.06547	11.2
101.58484	1.3
105.07026	1.7
107.04980	1.0
107.08600	1.3
107.53585	0.9
109.10173	1.7
111.04465	5.3
114.77193	0.9
115.05449	1.1
117.06999	0.9
119.08588	1.6
125.09674	1.0
129.05466	2.1
129.06941	0.8
135.04434	1.1
135.08110	1.0
137.02356	1.1
137.09517	1.1
139.03871	2.2
141.07057	1.8
147.04474	1.5
153.06969	1.2
155.08614	1.4
157.04961	1.1
157.06459	1.4
157.10110	1.5
159.07890	1.0
161.05983	1.1
162.77812	0.9
163.03940	2.0
165.07004	1.9
167.08530	3.0
169.06474	1.5
169.10130	1.2
171.08078	1.3
173.06027	1.6
179.08698	2.1
180.17119	1.0
181.06499	3.4
181.10135	1.1
182.07292	1.1
183.08075	3.3
184.05219	1.3
185.06018	1.5
185.09610	1.9
187.07619	1.3
189.09143	1.2
193.10204	1.8
193.12280	1.3
195.08090	5.5
196.08826	1.2
197.05974	2.6
197.09673	2.6
198.06801	1.7
199.04007	1.1
199.07590	4.3
200.04681	1.1
201.05530	2.2
201.09171	4.7
205.06479	1.2
207.08231	1.4
209.09630	2.3
210.10341	3.0
211.07594	3.6
211.11107	2.6
213.05678	1.6
213.09134	11.5
215.06993	1.6
217.05031	1.4
219.06396	1.3
219.08218	1.6
220.08664	1.5
221.06017	1.3
221.09543	2.3
221.13293	1.0
223.07526	5.4
224.12129	1.1
225.09167	4.8
227.06778	1.0
233.09747	1.4
234.10397	1.1
237.09132	3.5
238.09897	6.0
239.07016	1.5
239.10623	5.3
239.14313	2.1
241.08623	35.5
242.09367	2.0
243.10237	5.0
244.08443	1.4
247.07651	1.1
248.11974	1.0
249.09145	1.3
251.10678	3.0
252.07788	1.6
253.08566	2.1
253.12314	3.3
259.09579	2.4
263.10464	1.1
263.14337	1.3
265.12268	3.0
266.12866	1.3
267.10397	2.4
267.13766	20.1
280.10971	1.4
281.11774	1.0
281.15311	3.5
287.05920	2.2
287.09171	16.3
291.13876	6.3
293.11740	11.7
295.09875	1.9
295.13303	8.0
309.14856	12.2
311.12769	1.5
313.10953	1.7
313.14297	2.0
319.13306	3.5
327.15869	3.4
337.14380	100.0
338.14722	2.1
355.15439	56.0
411.35339	1.0
431.41544	1.0
507.11371	1.2
511.19345	2.9
529.20917	11.0
529.27710	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3505
Annotation	Camarinic acid
Peak:m/z	Relative Intensity
53.03943	0.8
55.05521	2.6
57.03437	0.9
62.44942	0.4
67.05509	7.2
69.07082	2.2
79.05502	4.0
81.03408	1.7
81.07067	7.2
83.08619	1.2
84.90540	0.4
91.05489	2.9
92.88391	0.5
93.07053	5.0
95.04927	0.9
95.08167	0.4
95.08623	5.2
97.06502	0.6
97.10138	0.5
105.07047	2.1
107.08617	2.7
109.10177	2.7
111.08068	0.6
113.65604	0.4
117.07027	1.0
119.08589	2.4
121.10149	2.1
123.11665	0.7
126.95171	0.5
129.07016	0.7
131.08536	1.2
133.10123	1.5
135.11664	0.7
143.08643	0.5
145.10156	1.0
147.11685	1.0
149.13249	0.9
157.10153	0.9
159.11702	0.8
189.96088	0.5
195.09944	11.7
203.55836	0.5
209.12221	0.5
251.12505	1.7
283.26675	0.5
303.41031	0.5
335.25735	2.0
357.23874	1.4
437.34064	0.6
463.41949	0.5
511.36887	0.5
529.34888	100.0
530.35046	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	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
54.84738	0.6
55.01865	1.5
55.05512	14.1
57.03451	3.7
57.03678	0.7
57.07079	2.3
65.03944	1.3
67.05509	38.9
69.03429	0.9
69.06715	1.2
69.07072	14.3
70.78592	1.7
70.92719	0.7
71.04994	2.0
71.08640	1.3
73.07592	0.7
77.03916	0.9
79.05495	27.7
81.03439	4.1
81.07059	42.5
83.04985	2.4
83.08619	9.4
85.06530	2.1
87.04498	0.8
90.22436	0.8
91.05486	23.6
93.07047	32.7
95.04969	3.0
95.08609	24.2
97.06518	3.6
97.10172	2.7
99.08083	1.1
103.05471	1.3
105.04536	1.4
105.07031	20.8
107.04938	0.8
107.08592	17.0
109.06509	0.9
109.10160	8.1
111.08083	1.8
115.05466	1.2
117.07029	10.3
119.08585	14.4
121.06505	1.6
121.10151	11.0
123.08055	0.8
123.11717	3.2
125.09619	0.9
128.06212	1.5
129.06998	6.2
130.07831	0.8
131.08578	18.1
133.06461	0.9
133.10136	10.8
135.08051	1.4
135.11676	7.8
140.34250	0.7
141.07019	1.9
142.07797	1.7
143.08578	7.1
145.10135	12.7
147.08046	0.9
147.11711	6.5
149.09743	0.7
149.13263	9.4
155.08549	3.7
157.10110	6.6
159.11699	10.3
161.13234	4.0
163.14810	1.4
165.07141	0.7
167.08525	1.0
169.10205	4.7
171.11739	4.3
173.13240	5.5
175.14906	2.0
177.12804	2.5
181.10172	2.2
183.11722	3.0
185.13278	4.3
187.14854	3.1
193.12224	1.1
195.11784	1.9
195.13853	2.9
197.13275	2.7
199.14894	2.8
201.16444	2.5
209.13374	1.2
211.14856	1.1
213.16464	2.1
218.83122	0.8
225.16330	1.1
227.18050	1.2
237.16331	0.7
241.19681	0.8
243.21114	1.5
261.22235	1.9
271.20505	1.0
297.22086	0.9
317.24945	1.6
325.25525	1.6
339.27060	1.5
358.58115	0.8
371.93192	0.7
409.34668	1.0
419.32834	3.7
437.34250	13.1
455.35315	5.2
473.36502	2.6
493.36798	1.3
511.37952	5.1
529.38983	100.0
530.39453	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	529.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19410	1.3
53.03945	4.2
55.01861	2.8
55.05515	29.5
56.18850	1.2
57.03441	15.4
57.07081	21.1
65.03951	2.3
65.76217	1.3
67.05511	66.5
69.07076	41.3
71.04990	4.6
71.08636	13.4
75.04487	4.5
79.05067	2.3
79.05499	36.4
81.03427	6.4
81.07064	75.6
83.04987	4.5
83.08627	26.9
85.06567	3.1
85.10173	7.4
91.05483	25.7
93.06477	2.2
93.07055	43.9
95.04980	7.2
95.08616	53.5
97.06523	9.5
97.10186	15.0
99.08103	2.6
105.07040	19.7
107.05021	1.5
107.08601	29.8
109.06543	3.0
109.10167	25.1
110.87695	1.4
111.08096	7.1
111.11729	4.1
113.05974	1.7
115.07583	2.3
117.07019	8.6
119.08591	15.2
121.06548	1.7
121.10156	27.4
123.11711	9.7
125.09651	3.4
125.13397	1.4
129.07013	5.8
131.07089	1.8
131.08580	17.0
133.10123	9.8
135.11708	20.2
137.13269	3.0
139.11195	2.9
141.06984	2.6
142.07808	1.5
143.08586	6.4
145.10164	8.9
146.25583	1.3
147.11700	5.2
149.13275	12.6
151.14915	1.5
153.12799	2.3
155.08597	1.9
157.10135	5.9
159.11694	9.0
161.13284	3.2
163.14850	5.1
167.08614	1.5
169.10139	2.3
171.11678	3.3
173.13335	4.0
174.41174	1.6
175.14917	2.2
177.12755	2.2
177.16443	2.8
181.10226	1.4
185.13295	3.2
187.14839	3.0
193.12296	4.7
195.13811	2.9
195.17455	1.8
197.13257	1.3
201.16501	1.8
215.18161	1.3
223.20724	2.2
227.17963	1.6
231.70728	1.3
256.26343	2.7
263.23685	2.2
325.25180	2.2
335.33060	6.6
337.94482	1.7
345.31494	4.8
355.67676	1.3
357.27780	1.5
363.32614	17.1
381.33841	1.6
399.34689	21.6
417.29526	1.6
437.36185	15.9
455.37442	24.6
473.36517	3.4
511.39807	10.2
529.39008	100.0
530.39648	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	530.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06015	0.5
56.05041	0.5
56.96554	0.6
58.06601	0.5
69.03426	0.6
70.06599	98.2
71.06927	0.5
71.17388	0.4
71.17728	0.6
72.08164	0.8
74.06092	2.8
84.04505	5.6
84.08159	0.9
85.02914	1.3
86.09695	1.3
87.64131	0.4
97.02889	0.6
98.97594	1.4
101.07150	0.7
102.05569	0.8
112.07616	100.0
114.05527	0.5
115.08660	0.6
116.07114	0.8
116.98618	0.5
137.05983	1.0
137.68143	0.5
140.07079	65.8
141.07426	0.7
144.06570	4.5
152.07153	0.5
157.09743	18.6
162.07658	4.0
183.61371	0.5
184.06021	1.0
202.94005	0.4
208.09723	0.7
213.08617	0.5
213.58640	0.4
219.01874	0.7
237.02902	0.8
240.13487	5.3
245.11420	1.5
263.12390	7.5
268.12952	19.4
323.12604	1.0
323.17157	2.1
324.15546	1.2
325.15002	1.0
334.14011	0.5
341.18362	1.2
351.16632	2.1
352.15039	1.3
355.16266	0.7
369.17700	6.2
373.17279	0.7
467.21490	1.3
477.20114	0.7
494.22412	1.6
495.20837	6.3
512.23578	10.8
530.13666	0.8
530.29120	0.7
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
53.03944	3.9
53.44139	1.2
55.01863	3.2
55.05512	22.7
57.03443	17.0
67.05507	28.8
69.03412	5.1
69.07080	6.6
70.53542	2.1
70.53879	3.2
71.04989	5.5
79.05494	29.8
81.03421	80.8
81.07065	32.5
82.76608	1.5
83.04985	22.1
83.08627	22.1
85.02908	28.6
85.06535	2.2
91.05489	38.2
93.07048	24.3
95.04973	31.0
95.08611	12.0
97.02889	2.5
97.06519	6.2
97.10175	5.0
97.20905	1.8
99.08060	1.6
103.05459	1.6
105.07039	29.9
105.53214	1.6
107.04964	9.5
107.08595	6.4
109.06533	7.1
109.10130	2.7
111.04472	3.5
111.08092	12.8
113.06026	3.8
115.05465	2.1
117.06985	2.5
119.08591	20.7
121.06521	3.5
121.10147	10.0
123.08080	3.9
123.11671	2.6
125.09658	1.5
129.07025	13.3
131.08588	12.3
133.06519	3.7
133.10132	14.1
137.09602	2.3
142.07788	2.9
144.76006	1.7
145.10170	2.2
147.08060	4.2
147.11688	18.8
149.09668	7.8
157.10138	17.3
163.11180	1.4
165.12767	3.8
170.18115	1.8
175.11191	20.2
193.10437	2.0
193.12257	72.2
211.13306	100.0
249.14914	1.7
267.15909	27.0
267.18616	2.3
285.16983	86.5
286.17316	1.9
338.14679	1.9
367.22849	2.0
385.23907	2.2
459.27554	6.8
477.28516	10.2
495.29541	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.6
55.05516	24.1
56.76732	3.1
56.96563	4.9
57.03448	17.1
59.05030	2.7
62.71851	2.5
63.74887	2.3
67.05506	26.3
69.03419	6.9
69.07060	8.9
70.18761	2.6
70.84206	7.3
71.04992	4.2
74.73183	2.4
78.79642	2.9
79.05492	26.0
79.45846	2.6
81.03417	81.5
81.07063	30.1
83.04978	18.8
83.08624	32.9
84.73438	2.7
85.02910	26.9
91.05486	35.3
93.07056	21.9
95.04972	31.5
95.08611	9.0
97.02895	3.9
97.06534	6.9
97.10157	4.6
105.07031	25.1
107.04964	9.8
107.08575	9.9
109.06497	6.6
109.10153	4.1
111.04459	3.5
111.08076	13.9
113.06059	3.4
113.93490	2.7
119.05002	3.8
119.08594	21.4
121.06556	4.4
121.10172	12.5
122.13583	2.9
123.08041	4.5
126.09790	2.7
129.06995	10.0
131.08594	15.2
131.62975	2.8
133.06429	4.0
133.10120	13.5
141.06744	3.3
142.07745	3.9
147.04446	4.4
147.08063	3.3
147.11678	17.1
149.09615	5.1
157.10144	18.6
159.11581	2.6
165.46208	3.5
175.11191	18.6
189.11276	2.9
193.12247	57.2
193.13884	5.3
210.10495	3.0
211.13297	100.0
212.89847	2.7
248.08876	3.1
250.09802	3.1
264.11014	4.3
265.12210	5.3
266.12698	3.8
267.15894	29.7
285.16989	89.5
459.27264	12.9
477.28522	17.4
495.29510	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	531.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52261	0.2
52.92062	0.2
53.03944	0.9
55.01874	0.6
55.05518	2.0
56.96574	0.4
57.03432	0.6
63.02375	0.6
63.12933	0.2
65.03934	1.0
67.05511	7.8
68.18152	0.2
69.03419	0.5
69.07079	2.3
70.06587	0.3
71.04992	0.4
79.05069	0.4
79.05502	5.2
81.03423	1.2
81.07065	8.4
81.47425	0.3
83.04993	2.6
83.08635	2.0
85.02900	0.6
85.06553	0.5
89.03924	7.7
91.05493	3.2
93.03404	0.7
93.07055	5.7
95.04976	6.4
95.08610	2.5
97.06535	3.2
97.10159	0.4
98.06906	0.3
99.08111	0.4
105.04543	0.3
105.07030	1.2
107.04953	1.6
107.08601	2.9
109.02881	0.7
109.06516	0.5
109.10146	0.5
111.04451	2.0
111.08053	0.8
117.03391	8.6
117.07015	1.1
119.08601	0.3
121.02869	1.1
121.06531	0.3
121.10175	1.1
123.11696	0.6
123.62088	0.3
127.03907	0.3
129.07053	0.3
131.04959	0.3
131.08607	1.5
133.10143	1.6
135.04433	15.5
135.11711	1.4
139.03891	0.6
145.02864	11.5
145.10091	0.4
147.04414	0.7
147.11760	0.3
149.09703	0.3
149.13268	3.0
151.11157	0.3
154.36940	0.3
159.11696	1.5
161.05977	0.6
163.03917	100.0
164.04236	1.3
167.08582	0.3
173.02339	0.3
173.06108	0.3
177.12787	0.9
181.05000	0.4
186.05562	0.3
195.13838	2.4
205.55054	0.3
213.14847	0.9
215.07072	0.7
216.07501	0.4
229.47479	0.3
241.08736	0.3
241.12115	0.3
259.09668	1.6
260.10114	1.4
276.12946	0.4
283.13321	0.5
307.13211	0.4
319.08157	4.0
339.15991	0.5
351.18069	8.8
531.22632	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	531.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49990	3.4
55.05502	6.6
59.05053	4.1
67.05500	9.6
69.03413	4.7
69.07061	4.6
71.55304	4.9
79.05488	8.4
81.03398	3.8
81.07044	8.6
85.02881	6.1
91.05484	10.1
93.07036	8.1
95.04935	4.3
105.07011	4.6
107.08622	4.8
109.02879	4.0
117.07047	5.0
119.08630	9.6
121.06489	6.6
123.97890	4.0
129.07022	6.2
131.08578	6.7
137.05972	5.1
141.06992	4.5
145.06488	5.7
145.10115	5.1
147.04434	4.8
147.08078	31.3
158.07289	9.4
159.11649	5.0
161.06024	6.9
165.07144	3.4
171.07988	5.6
173.09607	13.7
179.08516	6.4
182.07297	4.0
184.08812	7.4
185.09575	8.1
191.08597	5.1
195.08012	7.3
196.08855	6.0
197.09633	39.6
198.10132	4.3
199.11176	22.0
205.10153	5.7
207.08086	4.7
208.08780	10.3
209.09673	5.0
210.10434	4.5
211.11209	7.5
216.09402	5.0
219.08157	6.5
221.09653	8.8
223.11188	100.0
225.12642	7.8
228.09308	9.5
231.11786	5.0
233.09642	5.9
234.10396	13.5
235.11156	12.6
237.12746	16.3
239.10817	5.5
243.11655	10.8
244.08960	6.3
245.09666	6.1
246.10394	16.7
247.11200	12.6
249.09085	6.6
249.12840	44.5
250.09813	6.5
251.10762	6.4
253.12256	37.0
258.10422	7.6
259.08792	4.7
259.11075	20.6
261.12759	97.2
263.14139	5.2
265.12207	12.9
273.12775	51.4
275.10648	4.9
275.14291	6.3
283.13306	4.4
442.19287	4.7
454.19156	4.4
455.19904	17.7
457.21558	14.9
469.21750	11.4
470.23065	4.5
471.23019	7.9
485.24490	11.2
495.23135	7.1
513.24854	18.6
531.26392	22.6
546.61017	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	531.3659
Annotation	Cordianol F
Peak:m/z	Relative Intensity
55.05497	2.9
57.07078	1.6
67.05499	6.7
69.07050	3.3
69.18381	7.9
71.08620	0.8
79.05474	2.8
81.07063	6.0
83.08647	1.2
87.04485	4.5
91.05461	2.5
93.07034	2.3
95.08613	4.5
97.10143	1.2
98.21516	1.8
105.00083	2.4
105.07018	2.0
107.08614	1.4
109.10163	3.1
119.08593	1.1
121.10133	1.4
129.71991	0.8
133.10175	1.4
147.11734	1.1
159.11690	1.0
177.05540	1.2
187.14799	0.8
195.09961	10.6
251.12604	2.0
311.19949	1.4
321.18457	0.9
337.27356	2.7
377.24628	1.0
390.82925	1.0
457.27603	0.9
531.36517	100.0
532.36792	2.7
532.60742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01872	5.9
55.05257	2.0
55.05513	21.3
57.03434	5.2
57.07071	4.7
65.03938	5.2
67.05509	92.7
69.03399	2.9
69.07074	18.8
71.05004	6.6
71.63996	1.4
73.02940	1.5
75.41260	1.4
79.05498	58.2
79.05962	3.1
80.70195	1.5
81.03430	4.4
81.07062	89.0
83.04993	9.7
83.08627	7.8
85.06541	7.3
87.04462	5.7
91.05489	67.2
91.05898	1.1
91.06075	1.6
93.07050	62.6
95.04979	7.5
95.08612	30.9
97.06539	4.5
97.10165	1.9
98.20703	3.1
99.04472	4.2
103.05502	2.2
105.06306	1.8
105.07037	61.3
107.08604	61.8
109.06520	5.9
109.10164	83.0
113.06026	4.8
117.07056	8.3
119.08576	17.3
121.10140	20.6
123.08041	2.0
123.11726	13.2
124.12034	1.6
125.09660	3.0
127.07581	4.3
129.06993	1.9
131.08575	14.7
133.10141	100.0
135.11685	15.4
137.09631	2.2
143.08560	3.8
145.10130	10.5
147.11656	7.2
149.13226	7.4
150.70604	1.6
151.11189	49.8
159.11714	8.3
161.09598	2.7
161.13297	3.7
163.14890	3.3
169.12228	12.1
173.13284	4.3
175.14827	1.6
179.10765	1.7
179.14243	1.6
185.13329	1.7
187.14970	1.8
199.14874	1.9
215.12791	4.8
223.81374	1.5
243.21103	4.6
253.14372	82.6
260.00522	1.5
261.22137	22.1
269.31427	1.7
271.15436	3.0
294.43219	1.5
317.24753	5.9
391.32150	1.8
421.30945	2.0
439.32098	6.8
457.33176	6.0
459.74240	1.4
513.35846	17.7
531.37384	88.2
532.38849	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	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
55.01865	5.7
55.05520	14.5
57.03427	4.7
57.07081	3.2
59.67010	1.3
65.03934	3.8
67.05508	81.3
69.03423	3.0
69.07070	19.6
70.20047	5.3
71.04985	5.5
79.05500	50.6
81.03419	4.2
81.07063	75.9
83.04997	9.0
83.08620	7.5
85.06544	7.0
85.78155	1.3
87.04480	7.2
91.05486	58.2
93.07054	53.3
95.04974	8.9
95.08614	34.6
96.08958	1.6
97.06538	4.1
97.10175	3.1
98.21423	1.3
99.04484	1.6
99.08069	2.2
103.05491	2.1
105.07039	51.0
107.04925	2.1
107.08604	55.5
109.06538	7.3
109.10162	75.9
113.06012	2.1
115.05451	2.0
117.07063	8.1
119.08578	12.0
121.06464	1.4
121.10149	18.8
123.08086	2.0
123.11711	15.2
125.09619	2.4
127.07563	3.0
128.06252	1.4
129.07025	2.8
131.08566	16.5
133.10141	81.8
135.08052	1.8
135.11720	14.9
143.08591	3.8
145.10110	10.2
147.11679	6.4
149.09621	1.5
149.13277	9.0
151.11182	39.4
157.10165	2.5
159.11703	6.1
161.09644	1.8
161.13264	4.2
163.14828	2.9
169.12224	10.8
171.11649	1.8
173.13268	6.8
175.14807	2.4
179.10719	2.3
187.14778	3.3
215.12781	4.4
243.21132	5.9
253.14380	100.0
259.20642	2.7
261.22125	26.4
271.15442	2.8
317.24808	4.8
421.30759	2.2
439.32242	8.6
445.30826	1.8
457.32959	7.3
513.35699	18.1
531.37500	81.8
532.37695	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	531.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.9
53.03949	5.5
55.01878	4.5
55.05513	32.6
57.03436	4.8
57.07087	4.4
65.03946	2.9
67.05510	78.2
68.05832	1.3
68.79160	1.1
69.03428	2.7
69.07072	27.5
71.04993	6.1
79.05498	49.6
80.64992	1.1
81.03432	3.8
81.07063	100.0
83.04990	5.7
83.08620	19.2
85.06565	6.3
87.04488	3.7
91.05489	41.9
93.07050	55.8
94.72440	1.2
95.04992	6.1
95.08614	79.1
96.08939	1.9
97.06532	9.8
97.10184	6.1
98.72334	1.4
99.08120	4.2
105.04554	2.1
105.07040	30.3
105.07681	2.1
107.08608	24.9
109.06546	3.7
109.10159	22.1
111.08134	5.2
115.05534	1.7
117.07040	7.3
119.08594	31.0
121.10164	23.3
123.08082	3.2
123.11732	7.2
125.09697	2.4
129.07022	2.6
131.08592	14.9
133.10144	26.0
133.11092	2.3
135.11691	19.9
135.12566	1.4
137.09676	3.8
137.13313	4.8
141.09137	1.5
143.08588	3.4
145.10130	10.3
147.11688	8.3
149.09676	2.7
149.13277	7.6
151.14839	1.5
157.10228	3.5
159.11743	7.6
161.09688	1.4
161.13289	22.6
163.11351	1.2
163.14900	3.6
169.10213	2.5
171.11761	2.5
173.13315	5.3
175.14850	3.0
179.14294	8.7
183.11745	1.4
185.13319	2.2
187.14929	2.8
193.12456	1.9
199.14941	1.5
229.16223	1.8
243.21179	2.1
253.18016	19.6
253.20239	1.5
261.22247	7.1
277.21841	1.4
279.23361	1.3
287.23898	2.2
335.25790	9.8
439.35941	3.3
457.37027	2.8
513.39636	5.3
531.40039	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01873	1.6
55.05513	20.9
57.03440	3.5
57.07082	7.1
65.03948	4.8
67.05510	91.7
69.07074	23.3
71.04984	4.7
71.08633	3.5
71.55178	1.5
71.55585	1.5
73.02921	2.1
77.03950	1.4
79.05499	43.2
79.05962	2.1
81.03413	3.7
81.07064	100.0
83.04993	6.6
83.08625	14.5
85.06529	2.5
85.10178	2.5
87.04477	3.5
91.05488	31.5
93.07049	49.1
95.04977	6.7
95.08617	52.1
97.06541	8.6
97.10160	6.0
99.08109	3.0
104.42034	1.3
105.00101	6.9
105.07050	16.7
107.08605	24.3
109.10167	15.9
111.08088	2.6
111.11690	1.5
117.07024	11.0
119.08587	11.3
121.10159	16.6
123.07991	1.5
123.11710	9.0
129.07031	1.6
131.08578	12.3
133.10158	13.8
133.86125	1.2
135.08095	1.9
135.11711	9.6
137.13240	4.0
145.10143	4.0
147.11699	3.6
149.13269	20.3
151.14792	1.5
159.11700	11.2
160.32158	1.3
161.13269	4.0
163.14816	3.0
167.14297	2.2
171.11728	2.0
175.14816	2.8
177.12747	5.8
187.14859	1.3
189.16344	2.3
195.13857	9.5
196.75473	1.2
197.13206	1.3
199.14862	1.6
201.16534	2.3
217.06485	1.2
245.22838	1.4
251.16528	2.1
257.17453	2.2
263.23776	6.5
313.27631	1.8
314.27890	1.6
439.35782	3.1
457.36716	1.6
475.37921	1.8
513.39417	3.2
531.40430	83.5
532.40924	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	533.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66168	0.9
53.03938	1.6
55.01847	0.8
58.92574	0.8
67.76279	0.8
69.03429	1.9
70.06579	1.2
70.45340	3.1
78.04699	2.3
79.05495	6.4
81.03401	1.0
84.69421	0.9
85.02899	2.2
86.09735	1.2
91.05476	5.1
95.04984	2.3
97.02906	0.8
102.36816	1.0
103.05464	3.1
105.07034	6.8
106.04171	2.1
107.04963	12.7
112.30041	0.8
115.05462	4.0
118.04157	1.4
119.08598	1.0
123.04439	3.8
124.05231	4.5
128.06216	2.7
129.07016	5.7
131.04942	3.1
132.05676	2.0
133.01927	0.8
133.06511	5.5
137.05946	1.2
141.06985	1.4
144.05701	2.1
145.06516	2.1
147.08066	2.7
151.03909	1.9
152.04684	2.0
153.05544	1.7
155.07202	1.0
155.66106	0.9
156.05727	1.1
159.08098	6.3
160.05214	1.8
161.05986	8.4
163.07535	1.3
167.07054	100.0
172.05197	2.6
175.07561	21.7
177.05515	2.4
178.07794	1.7
184.05168	1.1
187.07556	23.3
189.07109	1.5
189.09128	3.0
190.07814	1.5
191.07016	9.1
191.08575	1.4
193.10202	1.1
194.07359	0.9
199.07593	8.8
202.07771	2.1
203.08583	3.1
205.06522	1.3
206.07291	2.4
209.08084	2.8
215.08473	1.2
217.08531	1.5
218.07285	3.5
219.08058	2.2
221.09566	2.8
231.08066	2.5
232.08943	1.4
233.09657	3.0
234.06789	2.1
235.07642	2.0
243.07994	1.2
246.06763	1.6
247.07626	2.0
249.09148	4.9
250.10056	1.0
251.07117	1.7
259.07547	1.0
260.08420	1.5
261.09204	4.3
262.09988	0.9
263.06891	1.4
274.06296	1.7
276.07907	1.0
277.08679	1.8
278.09418	1.8
279.06461	1.0
281.11691	6.0
289.08606	4.0
290.09305	1.3
291.06650	1.2
291.10144	1.6
293.11884	2.0
307.09515	1.5
309.11252	8.0
310.12006	1.1
321.11282	6.4
322.12012	1.3
325.14340	1.2
326.11624	1.8
341.13901	18.0
353.13843	9.8
498.35913	1.0
519.30377	1.1
533.21680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.9
56.00193	1.0
56.96554	1.8
61.79422	1.2
67.05486	4.6
69.03409	1.8
69.17921	5.1
69.18346	6.3
79.05476	2.4
81.03388	1.8
81.07027	3.2
91.05467	3.2
93.07023	3.0
93.76839	1.0
95.04938	1.4
95.08593	2.2
97.06567	1.7
98.21466	1.9
105.07008	3.1
107.04939	1.8
107.08572	2.6
115.05489	1.2
117.06979	2.1
119.08566	3.0
121.06502	7.2
128.06186	1.2
129.06937	1.5
131.08545	2.0
135.08051	6.0
136.11749	1.1
136.83710	1.0
145.06485	3.8
145.10097	1.7
147.08066	12.9
153.06972	1.7
155.08534	1.7
158.07280	1.8
159.08020	3.5
161.05942	1.0
161.09651	5.0
165.06932	3.3
167.08569	1.5
169.10124	1.1
170.07150	1.2
171.08026	4.8
172.08800	1.3
173.09578	4.7
178.07750	1.8
179.08562	2.0
180.09261	1.3
181.06464	4.9
182.52246	1.1
183.08011	4.4
185.05978	1.8
185.09563	4.4
187.07536	1.3
187.11201	1.4
189.11192	1.4
190.07729	2.1
191.08490	2.0
193.10081	2.0
194.07239	2.7
195.08122	5.5
195.11720	1.3
196.08740	3.1
197.09543	3.9
198.10327	4.8
199.11220	1.4
202.07736	1.7
203.08556	1.6
205.06480	2.3
205.10065	4.7
206.07231	2.3
207.08028	3.2
207.11736	1.6
208.08832	9.6
209.09523	5.0
210.10349	3.7
211.07434	1.5
211.11043	3.3
212.48033	1.1
213.09050	2.0
213.12691	5.2
217.10017	1.4
218.07185	3.3
219.07990	4.5
220.08809	3.9
221.06041	1.2
221.09593	4.4
222.10336	2.2
223.07547	2.4
223.11174	13.6
224.08298	1.2
225.02617	1.0
225.09016	2.9
225.12656	3.3
227.10626	1.6
232.08817	1.4
233.09473	3.3
234.06714	1.6
234.10324	4.9
235.07562	5.8
235.11157	8.7
236.08333	13.7
237.09142	14.8
237.12715	2.5
238.09894	8.0
239.10583	3.7
241.12157	5.7
245.09583	2.4
246.10333	1.3
247.11122	3.4
248.08316	3.8
249.09123	8.3
249.12808	1.4
250.09921	8.8
251.10683	100.0
252.11465	37.8
253.09732	1.8
253.12262	27.2
257.09573	1.3
259.11179	1.3
261.08954	1.4
262.09949	2.0
263.10800	7.7
264.11475	2.7
265.12332	10.1
266.09308	3.7
272.11890	1.2
274.09869	1.1
275.10562	2.0
277.12225	7.7
279.10162	1.4
279.13455	1.4
281.11725	30.1
282.12213	2.7
283.13297	13.6
287.10684	1.8
288.11292	1.8
289.12027	3.7
290.09430	1.8
291.10062	3.3
291.13547	2.3
293.11719	1.4
303.10199	1.4
303.13614	2.0
305.11646	2.4
313.11993	1.7
319.09705	1.6
331.13535	2.7
371.16394	2.1
403.13031	1.3
411.13654	1.2
425.15448	1.4
428.13660	1.5
442.15448	3.1
443.16699	2.2
452.13937	1.4
457.17963	7.2
458.18396	3.0
467.16156	4.5
472.19937	4.7
473.20538	1.6
482.18738	5.0
485.17688	7.6
486.17639	2.1
487.22806	7.6
497.21332	6.9
500.19809	6.7
503.17902	2.0
505.23309	4.0
515.14923	1.4
515.22272	21.9
518.20667	3.0
533.22919	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.6
55.01878	3.7
55.05519	3.0
56.96562	1.4
57.03447	6.5
57.07082	0.9
59.05017	1.2
60.59062	0.7
61.02934	11.0
67.05506	3.4
69.03436	29.3
69.07073	9.2
69.27364	2.6
69.27786	4.5
71.01331	1.1
71.05003	4.1
73.02911	4.1
79.05502	7.8
81.03426	13.1
81.07053	5.8
83.01299	0.9
83.04984	2.4
83.08637	2.7
85.02912	100.0
87.04002	0.8
87.04488	4.7
89.03907	1.3
91.03963	5.0
91.05473	3.6
93.07062	4.2
95.04986	7.9
95.08620	4.5
97.02903	32.6
97.06538	14.7
98.97543	0.9
99.04472	7.0
101.02403	1.1
103.03959	1.1
105.07047	4.7
107.04971	1.4
107.08594	5.6
108.08131	0.8
109.02877	12.0
109.06512	4.0
109.10178	2.2
111.04462	0.9
113.05999	1.1
117.03435	1.0
117.06997	1.4
119.08617	4.3
120.08131	1.1
121.06528	3.0
121.10158	2.8
122.07297	5.1
123.08080	19.6
123.11708	1.0
127.03922	25.9
127.07607	1.0
129.07037	1.1
131.08586	2.1
132.08139	0.9
133.10112	6.6
134.09630	1.3
135.04427	2.2
135.08069	31.2
135.09099	2.0
135.11711	3.1
137.05962	1.0
137.09631	1.7
145.02904	1.5
145.04971	40.2
145.10153	0.9
147.08032	1.2
147.11694	3.0
148.08873	1.2
149.09607	1.0
149.13300	1.3
161.02390	1.1
161.09656	0.9
163.03944	8.8
163.05971	4.8
165.12761	19.9
171.06604	2.2
171.08080	0.9
173.02394	3.1
175.14798	4.6
176.11966	3.3
189.07614	1.9
191.14316	90.6
192.14627	1.5
193.15901	11.8
193.36034	0.8
207.13837	3.6
209.15366	13.8
215.07016	5.2
216.07651	0.8
259.09695	10.2
285.14673	1.2
286.04688	1.2
301.07043	3.9
309.17010	1.0
313.14258	1.1
335.18552	0.8
353.19681	3.3
371.11139	0.9
371.20746	8.6
378.58902	0.8
442.02252	0.9
477.32849	0.9
490.31534	1.9
515.34711	2.5
533.19495	4.8
533.25989	20.8
533.35785	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	533.2727
Annotation	Roridin A
Peak:m/z	Relative Intensity
53.03944	0.5
55.05482	0.9
56.96559	0.5
57.03437	1.0
67.05493	1.9
69.03437	0.9
69.07069	0.9
69.41061	1.6
69.41484	2.2
79.05501	2.1
81.03411	2.1
81.07051	2.8
83.04990	1.2
83.08606	0.8
85.02919	0.9
91.05487	2.6
91.43046	0.5
93.07052	1.6
95.05028	1.0
95.08619	1.5
97.02887	0.5
97.06543	0.9
104.10723	0.7
105.07037	2.1
107.04955	0.7
107.08625	1.0
109.06558	0.6
109.10184	1.2
119.08590	1.5
121.06461	0.6
121.10172	0.7
131.08618	0.6
133.10135	0.8
135.08028	0.5
135.11739	0.8
137.05975	0.8
143.08569	0.5
145.10144	1.1
147.04399	0.8
147.08018	0.7
161.09634	0.5
163.11189	1.0
174.22931	0.7
181.88589	0.5
184.07416	0.7
201.09135	0.4
206.70647	0.4
227.12776	0.6
237.09216	0.6
247.11360	0.5
249.11063	3.4
251.12622	4.7
265.12476	0.8
267.21109	0.5
269.12476	0.8
279.10226	0.6
283.15570	1.2
305.13644	3.3
307.15207	6.1
434.34790	0.5
533.27271	100.0
534.27411	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	534.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
53.60509	0.4
55.05510	1.5
56.05044	0.9
56.96571	0.9
57.03451	0.5
58.06597	0.8
60.08173	12.8
60.08480	0.8
62.99725	0.3
67.05518	2.7
67.12273	0.4
69.03451	0.4
69.07066	0.6
71.07382	6.0
74.77486	0.4
79.05516	1.9
81.03429	0.6
81.07066	1.7
83.08643	1.0
85.02917	0.6
86.09715	44.4
91.03976	0.6
91.05485	1.7
93.07059	1.7
95.08624	1.0
97.06570	0.6
97.10165	0.6
98.98473	3.6
104.10757	54.4
105.07049	1.0
107.08573	0.6
109.10169	0.8
119.08585	0.8
121.10161	0.5
125.00021	26.7
133.02962	0.4
157.10344	0.4
161.76367	0.4
184.07361	100.0
229.07497	0.8
229.14337	0.5
247.08690	0.6
248.08630	0.4
249.10941	0.4
249.16011	0.4
258.11102	0.8
264.35107	0.4
288.98038	0.4
305.13425	0.5
339.60989	0.4
340.04361	0.4
401.65491	0.6
411.11224	0.5
411.63339	0.5
502.28543	0.4
516.30975	4.2
534.26013	2.0
534.31586	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	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.6
56.05011	1.2
56.96516	0.7
58.06581	1.7
60.07890	1.0
60.08168	16.8
67.05489	2.8
70.18668	2.4
71.07378	5.1
79.05479	2.3
81.03441	0.9
81.07065	2.1
86.09711	52.4
91.05483	1.5
93.07032	2.3
95.04990	0.7
95.08602	1.5
97.06545	0.7
98.98485	4.4
104.10750	100.0
105.07068	1.1
107.08604	0.8
119.08574	1.3
121.10133	0.9
124.29502	0.6
124.99084	1.3
125.00009	26.1
149.84030	0.7
161.13170	0.7
184.07350	91.3
185.07712	0.9
214.27220	0.6
229.14630	0.6
258.10925	0.9
267.16031	1.0
387.13397	0.7
421.26288	1.0
477.36594	0.7
510.16119	0.6
516.30963	8.5
534.32385	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.109
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01850	0.4
58.26950	0.3
59.99432	0.2
60.43591	0.3
62.31485	0.3
65.14740	0.3
67.01884	0.6
67.85795	0.3
68.99811	0.5
69.43196	2.4
70.48623	0.3
74.65815	0.3
96.56726	0.3
97.06519	0.5
109.02859	0.5
114.19112	0.4
117.58488	0.3
127.03902	0.3
135.03531	0.3
135.04417	1.8
137.02307	0.5
137.06076	0.3
153.01869	5.2
156.25804	0.3
161.02408	0.8
175.07602	0.4
179.03401	0.3
241.04898	0.5
269.04532	0.6
287.05533	100.0
288.05841	1.3
291.71671	0.3
299.04855	0.3
352.76010	0.4
449.10892	0.6
521.98755	0.3
535.11224	2.4
535.21692	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	535.2159
Annotation	piperaquine
Peak:m/z	Relative Intensity
52.92042	0.6
55.01823	1.0
56.96522	1.3
67.05442	1.0
69.03399	1.0
69.07003	1.1
70.06537	1.7
71.55137	0.7
71.55553	0.7
72.08126	1.2
79.05458	1.3
81.03339	2.0
83.04960	0.7
84.08103	0.7
85.02843	2.9
86.09629	2.1
87.00756	0.7
89.03848	1.2
91.05425	1.2
93.07000	1.0
93.15063	0.6
97.02848	0.9
97.06535	4.6
98.97530	0.9
100.51355	0.6
105.06953	1.2
109.02824	1.2
109.10081	0.7
110.40939	0.6
111.04408	0.8
118.37226	0.6
120.08013	1.7
121.02826	0.9
127.03841	1.7
135.04350	2.5
137.05933	1.3
149.01135	1.1
151.03886	1.3
152.34348	0.6
153.01851	4.8
159.02777	0.6
161.05884	0.7
162.52449	0.6
163.03940	3.2
165.60597	0.6
167.07069	0.6
167.53436	0.6
219.01828	0.6
241.04904	1.0
241.12173	1.0
249.11130	0.7
259.09808	0.9
267.09137	2.0
283.02945	0.7
285.09833	1.2
287.05508	100.0
288.05954	1.4
291.12378	1.3
301.07288	0.8
311.12796	4.9
343.15408	0.9
431.18881	8.5
449.11172	0.8
485.17172	2.0
535.21698	65.3
536.22211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2886
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
51.19676	0.3
55.05516	0.5
57.03440	0.8
64.61196	0.4
67.05504	1.6
70.42254	0.9
70.42607	0.6
79.05495	1.1
81.03413	1.8
81.07066	1.4
83.04983	0.5
83.08612	0.7
85.02897	1.4
91.05492	1.4
93.07048	1.1
95.04963	1.1
95.08605	0.6
97.06538	0.6
105.07040	1.4
107.08577	0.5
109.06517	0.4
113.05975	0.4
119.08572	1.0
121.10187	0.6
128.14246	0.4
129.07050	0.5
131.08559	0.7
133.10133	0.5
147.04539	0.4
147.11699	0.8
157.10112	0.6
193.12239	0.8
230.03369	0.3
251.10069	0.6
251.12592	8.7
268.60486	0.4
285.17078	1.1
287.05478	0.4
299.06277	0.4
307.15149	8.5
535.28839	100.0
536.29138	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	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	1.5
56.96560	2.0
57.34145	0.8
58.06606	1.2
60.08167	16.3
61.39884	0.9
67.05505	4.4
69.03504	0.9
69.59012	2.6
69.59426	5.2
71.07377	7.9
79.05499	2.4
81.07046	3.6
86.09714	53.8
93.07043	1.7
94.16648	1.0
95.08614	2.4
98.98457	2.7
104.10752	93.1
105.07100	1.4
107.56863	1.1
109.10147	1.2
125.00018	27.9
133.10104	1.2
135.82445	1.0
167.05551	1.8
184.07355	100.0
200.84024	1.0
226.11183	1.0
291.13553	1.0
299.06183	3.9
367.79819	1.0
390.15189	1.1
518.32391	11.2
536.33661	27.2
537.31213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
56.05038	1.5
58.06619	1.1
60.08168	18.8
61.02907	0.9
66.93979	0.9
67.05499	4.3
69.07067	1.4
69.25806	4.2
69.26232	4.0
71.07391	6.0
79.05508	2.2
81.07056	2.6
83.08608	1.4
86.09714	47.6
86.10238	2.3
88.26169	1.0
93.07038	1.4
95.08639	2.3
98.21570	1.9
98.98493	4.7
104.10753	100.0
105.07005	1.3
107.08572	1.3
121.10201	1.2
125.00015	30.1
125.57269	1.0
163.01543	1.2
167.05554	1.0
184.07353	89.1
258.11093	1.4
299.06244	4.6
486.66714	1.0
513.12128	1.0
518.32483	9.0
536.33765	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	537.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	4.3
53.03941	1.8
55.01868	4.5
55.05265	1.7
55.05514	23.5
57.03432	1.7
57.07080	43.4
59.05009	2.2
64.17760	0.9
65.03930	2.3
67.05511	32.8
69.03436	2.6
69.07072	16.2
71.01337	1.6
71.08640	30.6
71.55179	1.0
71.55521	1.4
79.05495	14.5
81.03425	4.8
81.07061	37.6
83.04985	3.8
83.08622	27.2
85.06543	2.6
85.10189	18.5
88.87790	0.9
90.22056	0.9
91.05482	22.6
91.80730	0.8
92.87257	0.9
93.07052	15.3
95.04958	6.1
95.08615	31.3
97.02913	4.2
97.06527	4.4
97.10181	10.0
99.00829	13.2
99.04478	1.0
99.08055	1.0
99.11707	1.1
103.05489	2.1
105.07035	19.7
107.04985	5.3
107.08617	6.6
109.02895	9.4
109.06512	3.4
109.10169	19.3
111.04452	2.4
111.08096	3.5
111.11741	1.8
112.59915	1.1
115.03936	3.0
117.07033	4.3
119.08571	9.5
121.06521	6.4
121.10153	4.4
123.04462	2.0
123.08068	1.4
123.11695	8.6
125.13303	1.3
127.03954	2.9
128.06203	1.7
129.07057	1.2
131.08629	3.4
133.10135	32.7
135.08063	1.7
135.11740	2.1
137.09613	1.7
137.13242	1.3
139.07570	3.1
143.08527	4.9
145.10117	2.0
151.11211	11.3
161.09639	16.5
163.11227	2.4
171.08086	4.3
179.10683	12.3
189.09128	12.2
193.12346	1.0
197.11760	4.6
207.10152	6.1
209.12000	1.0
225.11249	21.5
225.13387	1.7
227.12717	1.5
237.22235	1.0
239.23694	9.0
243.12250	2.6
245.14027	2.2
267.70914	1.1
272.38916	1.0
281.13858	4.7
513.82690	1.2
537.37952	100.0
538.38452	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	538.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
61.02913	0.8
63.21294	0.8
69.03426	1.2
70.06589	3.1
70.63583	0.6
70.67096	1.2
70.67438	1.7
75.92957	0.6
79.05512	2.2
81.07063	1.1
85.02903	3.2
86.09708	0.7
91.05486	4.0
93.07055	2.2
94.04190	2.6
95.04988	1.6
97.02873	1.3
103.05454	1.6
105.07054	4.7
107.08585	1.8
109.02837	0.9
109.06499	0.9
115.05457	1.9
115.93569	0.7
117.07018	1.8
119.01947	1.6
119.08559	1.6
121.06499	2.1
122.03657	4.2
124.08567	0.7
127.12147	0.7
128.06238	0.8
129.07036	1.4
131.04980	1.6
132.05724	0.8
133.06566	3.7
133.10172	1.1
137.05991	100.0
138.06323	0.9
145.06483	2.7
147.04451	1.9
147.08080	2.2
149.05995	5.7
149.13303	0.9
155.04887	0.9
159.08002	1.5
161.05986	15.8
162.06750	1.9
163.07550	1.6
172.05173	0.9
173.06018	0.9
175.06032	1.3
175.07567	25.9
179.07024	1.4
187.07530	8.2
190.07674	1.0
191.07111	0.7
191.08607	3.3
191.14285	0.9
193.08636	5.1
199.07542	1.7
202.07803	0.8
203.08635	1.7
205.08556	3.8
207.03127	0.8
207.08214	0.9
209.08096	1.5
217.08661	1.3
219.08078	6.2
231.08031	2.5
232.08913	0.9
236.08397	1.3
247.07686	3.0
248.08421	1.4
251.10669	10.5
259.07596	1.6
263.10748	1.5
264.07797	0.9
277.08606	0.8
279.10184	10.8
291.10165	3.7
291.14645	3.7
292.10959	0.8
296.10513	1.2
309.12006	1.1
309.15451	5.6
311.12811	26.0
323.12820	9.3
329.13791	5.1
333.15604	0.8
337.19543	0.7
341.13840	9.6
351.16742	1.1
377.14420	1.2
457.29816	1.1
475.31335	3.4
494.23557	0.9
538.23022	1.2
538.30786	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	539.1743
Annotation	Fraxamoside
Peak:m/z	Relative Intensity
51.44731	0.4
56.96576	0.9
57.69281	0.5
60.73043	0.4
63.54576	0.5
69.03409	0.6
70.06599	11.6
71.06914	0.7
71.54623	0.6
72.08153	1.0
84.08141	2.1
85.02916	1.4
86.09714	2.8
86.95586	0.4
91.05476	0.7
95.04948	0.4
97.02914	0.8
97.06638	0.6
98.97544	0.6
105.07028	0.9
107.04976	0.7
116.98610	0.7
121.02876	0.8
121.06555	0.6
125.06891	0.4
129.10426	0.5
131.00166	0.5
133.06520	1.1
137.05966	0.9
141.10266	1.3
149.06000	0.9
161.06004	1.7
163.04004	0.6
169.04752	1.6
169.09787	1.3
177.05510	0.9
185.04242	2.3
193.08571	0.5
209.08136	1.2
213.12398	0.9
217.04857	1.3
227.05338	0.9
229.28107	0.5
232.07071	11.5
233.07880	1.4
267.08401	1.3
269.06250	0.8
329.08447	5.6
389.73322	0.6
395.13397	1.3
437.14233	0.6
477.17551	4.1
478.17987	0.5
479.15320	2.6
521.17267	0.7
539.17426	100.0
539.27368	3.4
540.17926	1.9
544.61426	0.5
553.89923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38805	3.7
55.05505	16.2
57.03440	6.1
57.07081	34.0
67.05517	22.0
68.61913	3.4
69.07060	15.6
71.08644	20.1
71.55125	5.1
77.86349	4.1
79.05492	21.9
81.07066	34.6
83.04986	5.6
83.08617	11.5
85.10191	11.1
89.06043	7.8
91.05467	8.5
93.07041	33.7
95.04960	6.0
95.08615	45.3
97.10168	3.7
105.07042	7.6
107.04963	7.1
107.08616	23.3
109.10189	9.3
111.90301	3.7
117.07034	10.5
119.08572	11.5
121.06497	4.2
121.10149	13.5
123.11749	4.6
135.11702	48.7
145.10187	26.2
163.11180	54.1
181.12256	11.0
212.85680	4.7
227.12784	100.0
239.23724	6.7
240.80228	4.1
283.15381	45.6
313.27386	94.4
521.38483	44.7
559.85931	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	539.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22899	2.8
53.03949	4.1
55.01872	3.7
55.05507	13.5
57.03429	9.5
57.07081	49.0
59.04991	3.3
59.11086	3.3
67.05508	38.0
67.75655	3.4
69.07074	14.9
70.11296	12.7
71.05022	3.2
71.08633	30.8
79.05499	28.6
81.03428	6.1
81.06657	3.2
81.07069	37.7
83.04990	7.1
83.08622	13.8
85.10181	17.2
89.06012	11.3
91.05479	14.3
93.07059	42.6
95.04966	9.5
95.08056	4.4
95.08621	56.9
97.02890	3.2
97.06538	4.8
97.10183	7.3
105.07047	6.6
107.04980	17.3
107.08601	21.6
109.06516	4.8
109.10157	10.1
111.04443	4.3
116.21236	3.4
117.07002	11.6
119.08603	16.1
121.06505	7.7
121.10157	20.4
123.52595	3.0
131.08597	3.5
133.08629	3.2
135.11703	38.9
143.08453	3.2
145.06392	5.2
145.10132	30.7
155.08553	4.6
163.11215	60.3
173.09666	10.3
181.12245	12.5
191.10640	7.6
209.11705	8.7
215.61957	3.3
227.12798	100.0
239.23709	6.6
245.13899	10.3
265.14325	11.9
283.15430	38.8
311.29431	3.8
313.27371	60.9
335.81412	3.1
482.92581	3.5
521.38428	44.0
539.24231	6.4
539.39655	27.2
540.53278	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	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01865	9.2
55.05514	33.3
57.03434	13.8
57.06835	6.5
57.07079	76.0
57.24793	4.3
67.05511	63.8
69.07082	29.5
69.07396	5.7
71.08637	43.4
71.41059	3.8
71.55425	6.5
74.28288	4.5
77.82832	4.7
79.05486	35.7
81.03381	8.7
81.07066	63.7
83.05010	9.6
83.08630	28.0
83.75844	5.0
85.02893	14.5
85.10175	19.7
91.05463	24.9
93.07057	59.2
95.04961	8.7
95.08619	74.8
97.02875	6.7
97.06509	5.9
97.10161	21.3
105.07028	17.3
107.04947	9.1
107.08589	33.8
109.10143	28.4
111.04437	12.0
113.06150	5.0
114.56115	4.7
117.07011	16.8
119.08573	21.6
121.06503	5.3
121.10147	15.0
125.09615	16.7
131.08575	9.9
133.10167	8.2
135.11713	48.2
145.10109	27.7
146.98439	4.4
155.08530	6.1
163.11201	59.8
181.12201	23.2
183.11751	5.8
191.10683	10.3
199.13226	8.7
209.11774	8.5
227.12785	95.2
239.23787	13.6
283.15469	50.0
305.36475	5.0
313.27365	100.0
410.20123	5.6
521.38501	63.0
539.39417	60.1
540.53564	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	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01857	8.9
55.05513	26.7
56.92504	3.0
57.03441	14.6
57.07079	61.4
59.74923	3.0
67.05506	39.8
67.83059	2.8
69.03416	10.9
69.07071	24.2
69.79780	15.3
69.80145	5.5
71.04998	5.0
71.08642	41.2
73.02903	7.7
79.05499	35.1
81.03413	13.8
81.07061	40.8
83.04961	9.3
83.08624	23.9
85.02905	8.9
85.10181	20.3
89.06039	5.3
91.05468	11.1
93.07054	33.2
95.04965	11.8
95.08611	69.0
97.02892	9.4
97.06517	6.2
97.10153	10.3
99.04449	10.1
104.70509	3.0
105.07027	9.9
107.04968	12.3
107.08616	27.1
109.02926	14.1
109.10172	24.5
111.04458	13.9
111.08087	3.9
117.07019	16.7
119.08587	10.6
121.06510	4.4
121.10135	13.5
123.11740	7.7
125.09702	3.5
127.03943	5.4
131.08548	4.9
133.10150	7.1
135.08002	3.0
135.11705	45.4
145.10101	27.6
157.10078	3.5
163.11177	53.2
173.09608	3.5
181.12244	12.6
191.00160	6.4
191.10669	4.5
194.54182	3.0
197.30089	3.1
209.11755	17.9
221.22580	3.1
227.12796	100.0
239.23795	19.0
283.15402	38.2
293.21185	8.6
313.08401	3.4
313.27380	73.4
343.42178	3.4
521.38409	42.2
539.29163	9.1
539.39160	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.19
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77384	0.9
53.03967	1.2
54.98439	0.9
55.01868	2.7
65.03932	2.9
69.92996	3.3
69.93407	2.0
75.04464	3.7
77.03945	0.9
78.04711	2.8
79.05504	1.2
80.03017	1.0
85.02911	1.3
91.05477	10.2
93.03413	12.9
93.07044	5.4
95.04971	3.9
97.06556	1.5
98.20873	1.4
101.11129	1.0
103.05464	3.8
105.06991	1.0
106.03471	1.4
106.04176	27.1
107.04943	2.4
121.06516	26.4
123.08096	1.4
125.06017	8.1
130.61572	0.9
131.04909	1.4
132.66435	1.1
134.03619	4.0
137.05975	3.7
138.06732	1.4
139.07562	1.5
145.02771	1.3
148.05228	1.5
149.05980	40.4
151.07547	1.9
153.05501	1.7
153.09109	13.6
155.69084	1.3
163.03885	1.4
163.07553	1.9
165.23824	1.1
166.06245	2.0
167.07106	3.1
177.05478	25.4
181.08586	19.9
191.06956	1.9
209.08096	100.0
215.29330	1.1
223.04248	6.5
356.01816	1.2
387.14465	1.2
420.46286	0.9
432.35883	1.1
560.80273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01863	2.4
57.02450	1.0
65.03942	2.3
65.87830	0.8
67.73960	0.8
70.98552	2.5
75.00331	0.8
75.04469	3.5
78.04710	2.9
79.05495	1.8
85.02884	2.5
88.99391	0.8
89.03954	0.8
91.05479	11.7
93.03403	11.1
93.07041	5.7
95.04958	3.8
97.06525	2.8
103.05479	4.4
105.04490	1.3
105.07052	1.7
106.04178	26.0
107.04939	1.9
109.06562	1.0
117.03372	0.9
121.06505	30.1
121.07373	1.6
123.04431	1.0
125.05993	8.5
134.03638	3.8
135.04388	1.4
137.05986	3.6
139.07529	2.1
145.02846	1.1
148.05182	2.2
149.05984	42.7
151.07539	2.0
153.09116	14.2
163.07533	1.9
166.06230	1.9
167.07040	2.7
177.05486	26.2
181.08597	21.4
181.10182	1.1
191.06931	1.8
195.06619	1.3
209.08098	100.0
223.04221	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	540.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01862	2.8
55.12601	1.1
57.03438	1.3
64.28844	1.2
65.03934	4.6
67.05504	1.3
69.03429	1.4
70.06588	2.4
71.55142	1.3
75.04474	4.1
78.04706	3.4
79.05486	3.2
84.08140	2.0
85.02901	4.9
91.05483	16.0
93.03430	10.9
93.07043	10.8
95.04981	6.2
96.21059	1.1
97.06530	3.0
103.05457	5.5
105.07063	2.4
105.43497	1.1
106.04181	32.3
107.04995	2.7
107.08608	1.5
109.06544	1.5
111.04479	1.1
117.03384	1.4
119.08609	1.1
121.06509	29.8
121.10147	4.2
123.04420	1.4
125.06008	8.7
131.04932	2.6
134.03632	4.0
135.04420	1.3
137.05978	7.2
138.06767	2.1
139.07574	2.8
148.05200	2.4
149.05995	49.4
151.07526	2.6
153.05479	3.3
153.09102	12.1
161.05847	1.6
162.01241	1.4
163.04044	1.2
163.07552	2.5
166.06302	1.3
166.08643	2.0
167.07047	3.3
175.23825	1.2
177.05496	23.5
181.07059	1.7
181.08604	21.7
191.07013	3.1
193.04846	1.5
195.06516	3.5
197.02466	1.1
209.08109	100.0
212.09213	3.7
223.04294	4.9
246.14929	1.3
293.14084	1.4
467.60629	1.3
477.30978	1.2
535.19983	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
52.20522	0.4
53.03942	2.3
53.69225	0.5
55.01860	2.1
60.80767	0.5
65.03941	2.3
66.42300	0.4
67.05506	0.8
70.06572	1.3
70.66708	1.6
75.04479	3.3
76.76839	0.5
77.03931	0.7
78.04694	2.1
79.05472	2.0
81.03410	1.2
81.07031	0.7
84.08138	0.7
85.02901	3.4
86.09706	0.6
89.03919	1.1
89.06014	0.9
91.05482	13.1
93.03408	11.6
93.07040	5.4
95.04960	4.1
97.06524	2.6
97.28873	0.5
103.05453	5.9
104.80473	0.5
105.04512	1.5
105.07017	1.1
106.04176	30.0
107.04980	3.0
109.06528	1.2
111.04446	0.7
117.03379	1.0
118.04152	0.6
119.04905	1.3
121.06507	30.2
122.07294	0.6
123.04465	1.3
123.08020	0.8
124.04079	0.7
124.05206	1.0
125.05994	8.7
131.04887	1.9
133.06503	0.7
134.03647	4.2
135.04375	1.3
135.08044	0.7
136.05235	0.6
137.05974	3.8
138.06760	1.4
139.07538	2.6
145.02876	1.7
147.04405	0.9
148.05197	2.1
149.05984	48.3
151.03897	0.5
151.07561	1.9
152.08376	1.3
153.05536	2.4
153.09102	13.0
161.05975	1.1
163.03865	0.6
163.07547	2.5
165.05467	0.9
166.06244	1.4
167.07063	3.6
177.05469	24.7
180.07719	0.7
181.08600	20.1
190.00795	0.8
190.26926	0.5
191.07001	1.6
193.08612	0.9
195.06534	0.6
204.60416	0.5
207.08885	0.7
209.08090	100.0
210.08472	0.6
223.04250	6.6
273.11243	0.8
311.99118	0.5
315.58145	0.6
387.14395	0.7
487.31216	0.5
493.70044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74430	0.4
53.03949	2.2
55.01875	2.0
55.39913	0.4
57.03419	0.9
59.24964	0.4
61.02934	0.4
65.03942	3.4
66.04714	0.4
67.05500	0.9
69.03416	0.5
70.06602	2.7
70.84855	0.8
75.04483	3.4
77.03939	0.6
78.04706	3.0
79.05482	1.5
81.03414	1.2
81.07034	0.4
84.08134	1.1
85.02915	3.3
86.09698	0.7
86.10957	0.4
89.03910	1.0
89.06035	0.8
91.05483	11.3
93.02825	0.5
93.03416	10.9
93.07044	5.1
95.04971	4.3
97.06524	2.2
98.97575	0.6
103.05463	5.7
105.03434	0.6
105.04512	1.1
105.07030	1.4
106.04182	28.3
107.04974	2.4
109.02902	0.5
109.06496	0.5
110.03659	0.5
110.07248	0.4
111.04440	0.5
117.03394	1.4
119.04912	0.8
120.08131	0.4
121.06510	28.4
123.04437	1.1
123.08012	0.7
124.05215	0.7
125.05997	7.3
131.04933	1.6
131.05969	0.5
133.06490	0.9
134.03650	3.9
135.04433	0.6
137.05992	4.1
138.06764	1.2
139.07585	2.0
145.02847	1.2
147.04414	0.9
148.05177	2.2
149.05989	45.4
151.03941	0.6
151.07542	2.3
152.08344	0.7
153.05490	1.6
153.09102	12.4
153.12680	0.4
159.04428	0.6
161.05972	1.2
161.96684	0.5
162.01273	0.5
163.03922	1.1
163.07561	2.6
164.14796	0.4
165.05432	1.1
166.06259	1.6
167.07034	3.2
176.04729	0.5
177.05478	24.2
180.07814	0.7
181.08609	20.7
191.07056	2.8
195.06570	0.8
209.08098	100.0
210.08411	0.6
223.04271	6.9
305.18094	0.5
312.08844	0.6
387.14435	0.8
401.16019	0.6
540.28503	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	542.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.1
57.07080	33.7
61.02939	1.0
62.40340	1.0
67.05518	9.0
69.03433	1.0
69.07075	5.6
70.06622	4.4
71.08640	24.0
73.06568	7.9
79.05498	5.8
81.03413	2.4
81.07064	8.4
81.43935	1.0
83.04993	1.5
83.08628	3.8
85.10191	22.4
87.04465	4.5
87.08109	5.6
88.07605	1.0
89.06039	100.0
91.05499	4.3
91.07610	1.4
93.07061	5.8
95.04975	1.3
95.08620	3.9
97.02849	1.2
97.10181	3.0
98.20855	1.1
99.11739	4.5
105.07041	4.5
107.04961	1.2
107.07092	2.7
107.08597	3.5
109.06531	1.7
109.10176	3.3
111.08109	1.6
113.13332	1.5
115.07538	1.5
117.07031	1.8
117.09145	6.4
119.08591	2.3
119.28982	0.9
121.10145	3.0
127.65470	1.1
130.08662	2.0
131.08577	3.0
133.08617	48.3
133.10170	2.4
135.10205	1.4
135.11736	1.6
141.07065	1.0
143.08588	2.3
145.10153	3.4
147.08026	1.2
147.11662	1.3
155.10683	2.0
155.17978	4.8
157.10149	1.4
159.11803	1.3
160.46973	1.2
163.11220	1.8
169.08594	3.3
169.10077	1.7
171.11662	1.3
173.11699	1.0
173.13225	1.4
177.11235	18.7
199.20638	3.3
209.11775	1.3
221.13802	4.7
239.14964	1.3
243.23225	7.4
265.16345	1.4
283.17462	2.2
287.25818	7.4
297.17053	5.4
301.20029	1.8
327.20068	1.6
333.07257	1.2
371.22754	5.0
413.14587	1.7
443.54587	1.1
497.30951	1.4
525.40729	5.0
542.41992	6.2
543.36670	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	543.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89521	0.8
53.84635	0.7
54.95591	0.7
69.88835	2.0
69.89227	2.1
69.97075	0.7
76.97104	0.9
79.68288	0.8
83.61129	0.8
116.51901	0.7
127.45309	0.8
128.94351	1.0
128.95262	0.8
136.62355	0.7
178.32597	0.9
345.15594	1.0
363.06976	5.1
381.07953	15.0
543.13293	100.0
544.13544	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	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	1.6
70.89256	1.8
98.97593	1.8
100.40173	0.7
110.97588	0.9
133.03465	1.4
146.51463	0.9
171.05037	1.2
177.98680	0.8
187.02577	0.9
216.57970	0.8
219.01880	2.3
220.35545	0.7
237.02899	1.1
245.05058	0.9
247.04819	0.9
249.08261	0.8
321.10748	0.9
344.00931	0.9
351.11252	4.1
355.08920	1.1
363.06787	4.0
381.07886	18.5
478.70554	0.8
479.09424	0.8
496.35190	0.9
543.13263	100.0
544.06091	0.9
544.13770	2.9
548.11444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79748	1.2
56.96569	48.8
72.08163	2.0
72.96038	2.9
74.97622	2.3
83.97649	2.1
84.96067	1.6
89.68746	1.2
97.99241	1.2
98.97594	3.2
115.00669	1.5
116.73944	1.2
116.98625	1.4
121.99165	7.9
124.00710	10.0
126.02271	1.5
136.06175	1.8
140.00204	67.7
142.01776	40.1
156.03354	1.7
158.01276	65.4
158.04860	2.2
160.02834	34.3
167.99724	5.3
174.04434	2.0
176.02319	13.8
176.06000	1.4
178.03920	1.4
186.00763	31.9
192.05464	6.0
199.12045	1.3
202.07518	2.8
204.01816	49.4
209.09641	2.9
210.06439	5.6
219.01738	1.5
222.02872	13.4
223.07437	1.3
226.07523	3.3
227.10698	10.9
234.04529	1.3
239.07115	3.0
240.05432	3.6
241.08659	1.2
253.08578	3.3
257.08148	15.4
258.06506	20.7
261.02872	1.6
267.06586	2.2
271.09668	18.8
275.09167	8.2
276.07553	6.2
276.10123	1.2
285.07593	32.6
286.05963	7.8
289.10779	11.8
297.07629	14.1
298.06018	2.3
303.08667	100.0
304.06772	2.7
304.09464	1.7
315.08667	54.2
321.09781	3.5
326.10284	3.2
333.09534	2.4
338.10239	2.0
370.16516	3.7
382.12805	3.7
414.11310	7.0
414.16238	20.9
426.11801	9.6
464.60620	1.3
499.20447	2.3
507.17899	1.3
525.05798	1.7
525.18768	1.9
526.17273	1.5
543.07562	1.3
543.19763	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	543.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05495	3.0
57.07074	1.4
65.03934	2.3
67.05499	5.6
69.03439	7.6
69.07061	5.1
69.79309	6.1
70.06602	19.1
71.05009	1.4
72.08135	2.0
75.34516	1.3
79.05509	8.6
80.12565	1.1
81.03424	2.2
81.07078	6.5
83.04970	1.4
84.08128	4.1
85.02913	9.0
86.09705	3.0
91.05490	25.8
93.07061	7.3
94.89463	1.2
95.04939	1.3
95.08617	5.1
97.06551	1.2
98.20840	2.0
98.97610	2.2
99.04407	1.2
103.05447	2.2
105.07043	24.0
107.08607	15.8
107.45369	1.0
109.02884	1.2
109.06556	2.2
109.10169	1.4
111.08099	2.3
112.07592	1.1
115.05464	4.2
116.06242	4.1
117.07048	9.5
119.06075	1.2
119.07796	2.0
119.08597	29.7
121.06488	1.4
121.10152	15.6
123.08069	3.7
123.11731	1.5
125.09637	2.3
128.06248	4.6
129.07025	14.5
129.10240	2.4
130.07794	5.5
131.08585	45.5
133.10146	12.9
135.08090	11.9
135.11714	1.7
137.09624	1.5
142.07788	1.3
143.07484	2.1
143.08575	30.0
144.09341	7.8
145.10133	26.0
147.07863	1.3
147.11682	6.3
149.09615	6.2
149.13293	11.3
150.10507	1.3
156.09311	2.0
157.10117	2.5
158.10928	25.0
163.11212	1.3
163.14786	1.5
173.13281	100.0
175.14830	8.2
177.43378	1.1
180.26945	1.2
183.14873	1.3
185.44281	1.2
191.14333	95.1
209.15344	7.3
268.59262	1.1
335.18555	1.6
353.19562	3.2
363.27075	1.7
373.29401	1.2
381.28009	2.4
404.87698	1.3
482.17831	1.4
543.33105	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	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01870	5.1
55.05517	17.7
57.03446	4.1
57.07076	2.3
65.03943	3.6
65.04252	0.9
67.05512	43.9
69.03429	3.0
69.07078	12.4
70.67463	2.6
71.04128	1.0
71.04998	2.0
71.08633	2.0
79.05502	50.6
81.03432	7.8
81.07066	42.0
83.04983	3.0
83.08632	10.1
85.06544	2.0
91.05489	28.1
91.78564	1.0
93.07054	57.2
95.04989	10.6
95.08617	43.2
97.02887	2.7
97.06540	4.3
97.10175	3.4
99.04458	3.5
99.08108	1.6
103.05500	1.7
105.04549	2.5
105.06314	1.0
105.07040	21.0
107.04964	8.0
107.08610	39.0
109.06514	3.9
109.10168	10.7
111.04407	1.1
111.08093	1.8
115.05477	1.7
117.07038	12.6
119.08595	16.8
121.06538	5.8
121.10163	21.8
123.08124	1.4
123.11714	2.3
125.06010	3.0
125.09605	1.5
128.06218	1.8
129.07027	2.8
130.07796	2.4
131.08600	8.1
133.10153	9.0
135.08070	3.3
135.11714	45.0
137.09669	1.4
137.13225	1.1
139.07509	1.1
143.08577	3.2
145.10139	27.3
145.11285	1.4
145.79440	1.0
147.11693	4.1
149.13297	3.2
155.08537	1.6
157.10075	2.3
159.11739	4.5
161.09650	1.1
161.13318	3.4
163.11203	51.9
163.14821	1.5
165.12917	1.2
169.10129	1.4
171.11708	1.3
173.09705	1.1
173.13283	2.8
179.14323	3.5
181.12251	12.9
183.11606	1.2
185.13301	1.7
193.12311	2.3
197.13416	1.4
199.14827	1.1
209.11784	3.4
227.12808	100.0
243.21179	1.9
251.04266	0.9
259.20593	1.2
261.22165	7.0
275.19955	1.1
277.21689	4.4
317.21445	0.8
317.24939	2.0
333.24829	1.4
365.93799	0.9
398.64722	0.8
408.14270	0.8
433.31467	1.3
451.32138	2.1
469.32980	2.0
525.35809	5.0
543.36890	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01877	4.4
55.05262	1.4
55.05513	19.7
55.35503	0.8
57.03432	3.0
57.07071	2.6
61.88813	0.9
65.03939	2.3
67.05510	48.4
69.03429	2.7
69.06716	1.3
69.07070	14.9
71.04990	3.3
71.25028	1.2
71.25382	1.1
77.03920	1.5
79.05499	59.3
81.03422	5.0
81.07062	40.4
83.04981	3.7
83.08633	10.3
85.02918	1.1
86.09670	1.2
91.05489	30.3
93.07047	60.4
95.04979	8.4
95.08612	42.7
95.09228	1.8
97.02890	4.6
97.06525	4.7
97.10184	4.3
99.04467	4.2
103.05463	2.0
104.10761	1.1
105.04508	1.0
105.07034	23.3
107.04961	9.1
107.07866	2.1
107.08599	43.3
109.06519	3.5
109.10162	8.8
111.04487	1.5
111.08095	2.4
115.05507	2.2
117.07027	18.2
119.08590	18.2
121.06528	4.1
121.10146	24.4
123.08106	1.5
123.11698	1.4
125.05991	1.7
125.09636	2.4
129.07013	4.3
130.07805	2.7
131.08560	11.9
133.10155	7.7
135.08076	1.9
135.11699	46.6
137.09659	1.2
143.08530	4.9
145.06407	1.7
145.10138	33.9
145.11278	1.7
147.11693	4.9
149.09618	1.5
149.13289	3.1
151.11172	1.1
153.12689	1.1
155.08508	1.2
157.10146	3.0
159.10483	1.1
159.11656	5.1
161.13297	3.1
163.11198	51.7
163.14871	1.7
165.12796	1.2
167.08829	0.9
169.10144	2.3
171.11711	1.6
173.09688	2.3
173.13313	3.3
175.14824	1.3
181.12306	11.0
183.11697	1.7
185.13289	1.6
187.14874	2.9
191.10750	1.2
209.11758	2.8
209.13474	1.3
227.12788	100.0
243.21107	2.1
261.22211	7.6
299.23828	1.5
315.05978	1.1
317.24936	2.2
333.24200	1.3
340.81503	1.0
423.32767	1.1
433.31033	3.0
451.32092	3.5
469.33139	3.6
491.32584	1.0
525.36078	4.7
543.36847	73.6
544.37457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.4
55.01880	3.8
55.05519	14.7
57.03413	2.0
57.07071	1.5
58.87569	0.6
65.03938	1.4
67.05514	32.2
69.03419	1.2
69.06716	0.9
69.07068	9.9
70.99297	1.7
71.05016	3.2
73.02888	0.9
77.03941	0.7
79.05505	46.4
81.03392	2.3
81.07070	31.8
83.04962	2.9
83.08636	8.8
85.06515	0.8
88.23458	0.6
91.05495	20.3
93.07059	53.3
95.04984	7.4
95.08622	41.7
97.02868	2.5
97.06542	3.5
97.10152	1.6
99.04473	3.3
99.08050	0.7
103.05447	1.9
105.04527	1.6
105.07042	14.4
107.04971	7.1
107.08608	33.8
109.06480	2.1
109.10165	7.5
111.08112	1.6
115.05466	1.1
117.07030	10.9
119.07802	0.8
119.08601	13.3
121.06519	4.6
121.09313	1.3
121.10158	19.7
123.08098	0.7
123.11691	1.2
125.05968	2.0
129.07014	1.1
130.07770	2.2
131.08562	5.7
133.10162	5.1
135.08098	1.4
135.11713	41.5
139.07506	1.3
143.08540	1.6
145.09048	1.3
145.10153	23.2
147.11656	2.3
149.13237	2.5
153.12848	0.8
159.11711	2.9
161.13307	1.7
163.11214	49.8
163.14848	1.2
171.11755	1.1
173.11903	0.7
173.13293	2.5
175.14810	0.9
181.12250	13.3
187.14767	0.9
201.16432	0.7
209.11780	1.9
225.34543	0.7
227.12810	100.0
228.13193	0.8
243.21082	1.5
261.22198	6.0
283.15338	0.9
317.24823	2.0
334.40985	0.8
543.36908	54.5
544.37549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03953	3.7
55.01884	3.6
55.05515	14.8
57.03440	2.9
57.03675	0.6
57.07058	2.0
60.62546	0.6
65.03929	2.6
67.05511	35.9
69.03411	2.8
69.07076	11.1
69.25621	3.6
69.26045	2.4
71.05001	3.2
73.02902	1.0
77.03918	1.1
79.05499	48.1
81.03438	3.0
81.07063	38.9
83.04978	3.1
83.08616	9.1
85.02908	0.7
91.04907	1.0
91.05482	22.8
93.07053	57.6
95.04977	9.4
95.08615	43.5
97.02912	3.6
97.06539	3.8
97.10155	2.4
99.04464	4.0
99.08044	0.7
103.05451	1.5
105.04514	1.6
105.07042	16.5
107.04971	7.2
107.08603	36.0
109.06519	3.0
109.10153	8.2
111.04446	1.1
111.08067	1.7
115.05432	1.3
117.07030	11.5
119.07790	1.2
119.08589	14.6
121.06543	6.1
121.09319	1.3
121.10152	20.4
121.11018	1.3
123.08070	1.1
123.11697	0.7
125.05983	2.2
125.09646	1.5
129.06961	1.1
130.07793	1.9
131.08577	6.3
133.10144	8.1
135.08121	1.5
135.11702	46.4
137.13254	1.0
139.07527	2.0
145.10138	26.2
145.11295	1.4
147.11690	3.1
149.13321	3.2
153.12694	1.0
157.10106	1.0
159.11726	3.0
161.13255	2.4
163.11200	54.9
163.14836	1.4
173.09637	0.8
173.13297	1.6
174.68895	0.7
175.14807	1.1
181.12222	11.3
187.14854	1.9
189.11185	0.8
209.11664	2.0
227.12796	100.0
228.13025	1.0
243.21036	1.8
261.22134	7.8
299.23788	1.3
317.24750	1.9
451.31747	0.7
469.32919	1.4
503.96103	0.7
525.35846	1.5
543.36841	53.2
544.37103	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	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.8
51.02368	1.1
53.03957	5.3
55.01881	4.5
55.05519	16.7
57.03413	2.8
57.07058	1.4
65.03918	3.2
67.05511	41.7
69.03406	2.3
69.07076	12.1
69.26736	6.8
71.04968	2.7
73.02908	1.0
77.03901	1.6
79.05501	51.2
81.03429	4.8
81.07064	40.6
83.04988	5.1
83.08215	0.9
83.08626	9.7
84.47868	0.8
85.06519	2.2
91.05489	25.7
93.07054	63.6
95.04984	9.4
95.08614	48.2
97.02895	4.3
97.03416	0.8
97.06507	3.2
97.10150	2.7
99.04466	3.6
99.08048	1.3
103.05441	1.1
105.04482	2.0
105.07042	19.8
107.04384	0.7
107.04975	7.6
107.08601	39.9
109.02739	0.7
109.06537	3.4
109.10164	9.7
111.04441	1.7
111.08083	2.5
113.09641	1.2
115.05479	1.4
117.06354	0.9
117.07034	13.2
119.07830	1.0
119.08598	16.2
121.06545	5.9
121.09324	1.5
121.10158	25.2
123.08058	0.8
123.11678	2.1
125.05973	2.2
125.09620	1.6
129.06958	1.8
130.07771	2.2
131.08585	10.3
133.10159	8.6
135.08035	2.4
135.11705	48.8
137.09608	0.9
137.13228	0.7
139.07538	1.9
141.06964	1.0
143.08540	2.8
145.06512	1.1
145.10141	29.7
147.08002	0.9
147.11678	3.9
149.09583	0.9
149.13266	3.9
153.12733	1.1
155.08580	1.7
157.10117	2.2
159.11688	4.3
161.09578	1.0
161.13268	2.3
163.11200	55.5
163.14806	1.9
169.10170	0.9
171.11707	1.7
173.09639	1.3
173.13255	2.2
175.14882	2.1
181.10123	0.7
181.10416	0.9
181.12233	12.3
183.11705	1.0
185.13284	0.8
187.14830	1.0
191.10617	0.9
197.13275	1.6
198.30754	0.7
209.11769	2.3
227.12799	100.0
243.21082	1.4
261.22131	8.6
299.23749	1.5
317.24847	3.1
333.24478	0.9
433.31049	1.7
451.32162	2.6
469.09103	0.7
469.33151	1.0
525.35681	3.1
543.22919	1.6
543.36853	65.9
544.37183	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	545.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55849	0.4
60.40168	0.4
65.93303	0.4
68.99751	0.5
69.03401	0.5
70.03082	1.5
71.00316	0.4
75.78118	0.5
85.02867	0.5
98.20832	0.6
108.28647	0.4
110.78812	0.4
116.72260	0.4
148.41328	0.5
151.05327	0.4
153.01830	15.3
155.03372	1.0
156.99580	0.4
187.07535	2.8
189.05457	0.9
197.05904	0.5
198.40851	0.4
201.09030	1.3
203.03212	0.5
205.51044	0.5
225.09033	0.6
229.08418	0.7
237.05458	1.5
241.04771	0.5
242.05827	0.8
243.06573	0.6
253.05035	0.6
255.06461	1.0
265.04950	1.8
269.04434	0.8
281.04510	0.5
282.05234	2.5
283.06027	1.7
286.04694	0.5
293.04352	0.6
293.07690	0.5
295.05927	0.7
297.03867	1.5
298.04758	2.6
299.05487	1.0
307.06198	0.6
310.01178	0.8
310.04724	13.0
311.05502	46.5
312.05811	0.9
323.05466	2.7
323.08978	1.0
323.70038	0.5
324.06152	1.7
326.07809	1.3
339.08636	100.0
340.09192	0.8
353.14108	0.9
355.11710	0.5
365.10672	0.5
383.11261	61.4
545.16327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.3
60.30806	0.2
68.99792	0.5
70.78748	0.5
70.79159	0.5
83.04996	0.3
97.02885	0.4
115.05400	0.3
128.06290	0.5
139.03925	2.4
143.04897	0.3
143.08543	0.8
147.04434	0.6
153.01845	20.4
155.08624	0.3
157.03632	0.3
161.05983	0.9
165.07077	0.4
167.07047	1.4
169.06573	0.3
171.08028	0.3
183.08070	0.4
185.09601	0.3
186.67537	0.3
187.07599	0.4
189.05486	0.5
189.09167	0.4
197.05867	0.3
201.09154	0.4
203.03510	0.3
209.09711	0.3
211.07465	0.4
213.09117	0.4
229.04965	0.5
229.08658	0.4
237.05492	0.8
253.05008	1.1
257.04492	0.8
258.05261	4.4
265.04977	2.5
269.04584	0.3
281.04510	2.9
282.05203	0.8
286.04745	9.4
287.05493	1.0
290.70721	0.3
293.04468	1.0
295.06055	2.9
297.03983	2.6
298.04736	1.1
299.05548	1.8
307.05972	0.4
309.04041	2.2
310.04785	1.2
311.05524	16.2
313.03528	2.0
323.05551	7.1
323.08521	0.2
324.05914	0.3
325.06821	0.3
326.04034	0.3
327.05020	3.2
353.10083	0.4
355.11804	5.5
365.10187	1.2
383.11276	100.0
384.11627	1.4
500.26346	0.3
545.16418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66894	0.2
52.40717	0.2
69.44764	1.9
79.05464	0.3
97.06516	0.4
135.04442	0.3
153.01822	1.0
161.95805	0.3
172.66653	0.2
203.03400	1.1
229.04913	1.5
257.04477	23.7
258.05267	13.9
259.05829	0.3
285.03857	0.6
286.04742	34.4
287.05511	11.8
325.14310	0.3
383.11273	100.0
384.11594	1.6
428.16385	0.2
545.16547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98895	1.3
55.01854	1.6
55.05505	2.2
67.05504	6.2
67.80338	1.3
69.07061	1.9
69.11603	1.5
69.40858	1.2
69.41166	11.5
69.41784	1.5
70.65857	1.4
70.75259	1.3
79.05488	3.2
81.03409	1.6
81.07051	4.6
83.04991	2.1
85.02896	1.6
91.05473	3.7
93.07063	3.2
95.04985	1.7
95.08588	1.8
97.02875	1.5
105.07058	2.6
107.08588	1.4
109.10131	3.0
119.04952	2.0
125.33597	1.3
133.10124	3.4
145.10146	1.8
147.04414	9.2
153.01964	1.3
165.06937	1.6
169.06476	1.9
178.07841	2.1
181.06451	2.9
191.08588	1.9
205.10114	3.5
206.07251	2.0
207.08084	2.5
208.08847	5.3
218.07309	1.8
219.08014	3.6
221.09573	4.7
222.10251	1.5
223.11140	7.7
227.10687	5.3
232.08736	2.6
234.06927	3.5
235.07414	3.6
236.08342	10.5
237.08943	2.4
238.07567	1.6
247.07388	1.8
249.09178	9.7
250.09825	5.5
251.10687	100.0
252.11406	3.7
257.04324	4.0
261.09088	2.5
265.12311	1.7
275.07025	1.8
277.08701	8.0
287.05518	2.6
383.11273	13.6
399.14792	1.9
408.11157	1.5
411.13947	2.1
414.12308	1.8
423.13983	2.9
433.12463	2.0
436.10690	1.9
437.11246	1.6
439.13406	2.3
441.14954	2.9
449.15594	3.1
450.11838	1.5
451.13159	14.2
452.13431	1.7
461.11600	2.0
465.14871	6.5
466.15863	7.7
467.16672	2.2
469.14246	4.4
471.19473	1.8
476.14197	3.1
477.14929	2.2
479.06140	1.5
479.12582	7.8
481.17752	5.4
484.16983	3.5
485.17487	2.5
491.16205	2.5
494.15204	10.0
497.13797	2.3
498.14273	2.3
499.19034	22.7
509.17401	18.0
512.16052	5.1
527.18567	52.9
545.18951	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	545.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05506	0.9
57.20947	0.3
67.05507	3.0
69.03434	0.9
69.07052	1.1
70.02457	1.5
71.04969	0.4
79.05498	2.0
81.03419	0.7
81.07052	1.9
83.04998	0.5
83.08617	0.5
91.05492	3.2
93.07054	1.7
95.04958	0.8
95.08604	1.1
97.06509	1.1
97.10140	0.7
105.07010	1.7
107.04940	0.5
107.08605	2.3
109.06506	0.4
109.10152	1.3
110.87714	0.4
115.05469	1.4
117.06992	1.1
119.08588	1.1
121.06502	2.1
121.10160	0.6
123.11710	0.4
124.13659	0.4
125.05910	0.4
128.06157	0.4
129.07013	0.8
131.04860	0.3
131.08597	0.9
133.06552	0.4
133.10146	0.8
135.08052	8.5
141.07031	0.3
143.08566	0.4
143.35600	0.4
145.06483	1.5
145.10109	0.9
147.04393	1.6
147.08069	3.9
153.07014	1.0
155.08627	0.6
157.06505	1.1
159.08078	0.7
161.06006	0.5
161.09589	0.4
165.06949	1.9
166.07828	0.4
167.08594	1.5
169.06467	1.5
169.10100	0.7
170.07320	1.1
171.08064	1.7
173.09607	0.6
178.07803	0.7
179.08597	1.2
180.09390	0.9
181.06480	2.7
181.10110	1.0
182.07274	0.8
183.08066	1.6
184.08884	0.8
185.09596	1.7
187.07561	0.6
190.07727	1.1
191.08572	1.4
192.09378	0.6
193.10156	0.8
194.07265	1.8
195.08073	3.7
195.11691	0.8
196.08910	0.7
197.09624	0.6
198.06493	0.4
198.10397	1.0
199.11218	0.6
202.07771	1.0
203.08577	0.9
205.06502	1.3
205.10162	2.2
206.07259	0.4
207.08046	2.3
207.11679	0.8
208.08846	6.7
209.09637	3.0
210.10356	1.1
211.07681	0.5
211.11180	2.2
213.09052	0.4
213.12801	1.5
215.08710	0.4
217.10190	0.5
218.07277	2.0
219.08081	3.6
220.08849	5.7
221.09589	2.3
222.10370	1.2
223.07631	0.9
223.11182	8.8
225.09232	0.8
225.12698	1.2
227.10706	6.2
229.10313	0.5
231.07880	0.5
232.08824	1.3
233.09633	1.8
234.06831	1.0
234.10434	0.9
235.07578	2.7
235.11176	7.7
236.08340	12.8
237.09119	0.8
238.09947	2.0
239.10693	1.2
241.12140	0.6
244.09158	0.6
245.09625	0.9
247.07613	0.7
247.11214	0.9
248.08365	4.2
249.09198	2.0
249.12723	0.9
250.09818	1.0
251.10683	100.0
252.11134	1.4
253.08456	0.4
253.12251	8.6
256.00122	0.4
257.04501	0.5
259.11386	0.6
261.09064	0.5
262.09894	1.0
263.10696	7.5
264.11542	0.8
265.08804	0.4
265.12164	1.2
266.09467	1.7
267.10095	0.5
275.10660	0.8
277.12296	1.0
279.10196	0.4
281.11746	10.5
282.12509	0.8
283.13351	4.0
284.08475	0.4
285.08899	0.5
286.09863	0.5
287.05487	0.5
287.10486	0.5
300.11481	0.4
327.10129	1.0
331.09543	0.4
333.07553	1.0
345.11368	1.0
349.12238	0.5
383.11337	2.2
393.14877	0.5
410.13065	0.5
411.15204	0.7
421.18033	0.8
423.14056	0.8
425.15860	0.6
428.13464	0.6
437.15356	0.6
438.12057	0.6
443.16568	0.7
449.16068	0.5
451.17215	0.6
453.15152	3.0
453.33179	0.5
454.15710	0.9
455.16641	0.6
456.17227	0.5
457.11038	2.2
467.16168	1.1
468.17087	1.5
470.19208	0.5
471.12335	1.2
472.12866	0.9
479.16345	0.6
483.12787	0.7
483.19528	3.3
484.20322	0.7
485.17645	0.9
487.15488	5.8
497.13922	1.4
498.14456	0.8
499.22427	1.2
509.21429	0.6
512.15332	2.2
516.15839	0.6
517.24115	2.1
527.18677	4.5
527.37152	0.8
545.19867	10.6
545.37872	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	545.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05515	3.7
56.96558	0.9
65.03938	0.7
67.05508	5.9
69.03426	1.1
69.07061	1.9
70.59266	1.9
74.98719	0.7
79.05494	3.5
81.03411	1.0
81.07059	3.7
83.08629	1.7
91.05472	5.1
93.07045	2.5
95.04960	1.6
95.08631	1.5
97.06498	1.1
97.10123	0.8
105.07043	2.8
107.08586	2.8
109.10155	1.4
115.05453	1.7
117.07031	2.6
119.04892	0.8
119.08566	2.4
121.06510	3.5
121.10149	1.4
122.44067	0.7
125.09640	1.0
129.06996	1.0
131.08543	1.8
135.08069	11.2
143.08603	1.0
145.06528	3.2
145.10110	1.9
147.04405	1.9
147.08025	6.7
153.06911	0.7
157.06413	0.9
157.10086	1.1
158.07240	0.8
159.08127	1.3
159.11679	1.1
165.07002	1.6
166.07767	1.1
167.08548	1.1
169.06433	1.2
169.10164	0.8
170.07310	1.4
171.08064	2.8
171.11751	0.9
173.09633	0.8
178.07756	1.3
179.08553	1.7
180.09428	0.8
181.06508	2.5
181.10193	0.9
182.07240	0.9
183.08017	1.4
185.09578	1.6
190.07787	1.6
191.08525	1.4
192.09283	0.9
193.10139	1.4
194.07304	2.2
195.08133	3.7
196.08833	1.7
198.10417	1.6
199.11159	1.5
202.07802	0.9
203.08586	1.6
205.06477	3.1
205.10167	2.5
206.07274	0.9
207.08075	2.3
208.08849	6.3
209.09676	3.3
210.10376	2.0
211.11188	2.9
212.11905	0.8
213.12666	3.1
217.10129	1.0
218.07249	1.7
219.08006	4.9
220.08856	7.7
221.09633	3.5
222.06931	0.7
222.10402	1.6
223.07582	1.0
223.11163	9.7
225.09145	0.9
225.12730	1.5
226.15286	0.7
227.10669	7.1
231.07796	0.9
232.08791	1.6
233.09525	2.0
234.06813	2.1
234.10356	1.6
235.07571	2.4
235.11177	11.8
236.08350	12.4
237.09012	1.3
237.12700	1.1
238.09915	2.6
239.10654	1.2
241.12332	1.0
243.46199	0.7
245.09569	1.2
246.10423	0.8
247.07620	1.9
247.11275	1.1
248.08330	7.8
249.09128	3.1
249.12772	1.4
250.09779	1.8
251.10687	100.0
252.11194	2.3
253.12254	11.3
259.11227	1.0
260.08307	0.8
261.09137	1.5
262.09851	1.5
263.10657	9.3
264.11505	0.9
265.12296	1.1
266.09381	2.6
267.15775	0.7
273.09052	0.8
275.10544	0.9
277.12222	1.9
281.11746	16.6
283.13263	5.3
286.09729	0.8
299.10684	0.7
305.11606	1.4
327.10059	1.5
331.09674	0.9
376.60077	0.7
383.11322	3.6
391.13086	0.8
405.14722	0.8
411.15875	1.2
413.11459	1.0
421.17719	1.4
424.14731	0.8
425.15787	1.2
438.12253	0.8
439.13217	1.2
441.14441	0.8
443.16605	1.1
453.14789	2.8
457.10669	1.7
467.16400	1.6
469.18320	1.2
470.19025	1.2
471.12418	1.1
472.13071	1.1
479.16376	0.9
483.19531	1.9
484.13339	0.9
484.20453	1.2
487.15366	5.5
497.12946	1.6
499.22687	1.6
509.20871	1.5
512.16357	2.9
517.23755	2.0
527.18890	3.5
527.21722	4.6
527.37006	1.5
545.22467	10.1
545.37921	3.7
556.60876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01867	6.6
55.05515	36.9
57.03437	7.6
57.07077	2.1
59.05005	2.3
67.05508	66.3
69.03436	5.5
69.07072	18.6
69.94463	8.3
71.05000	4.4
79.05498	44.4
81.03428	23.3
81.07063	65.5
83.04980	7.3
83.08629	23.0
85.06551	2.7
91.05489	31.4
93.07050	41.0
94.72521	2.0
95.04984	19.2
95.08615	45.1
97.06544	4.6
97.10172	20.2
101.35871	1.5
105.07035	31.9
107.04954	6.8
107.08597	33.0
109.06535	6.3
109.10156	25.6
109.74450	1.5
111.08095	5.3
115.05492	3.0
117.07036	15.3
119.08594	25.8
121.06531	5.6
121.10146	20.2
123.08080	5.3
123.11699	9.5
125.09651	18.1
128.06198	2.1
129.07008	10.3
130.07816	1.6
131.08571	23.7
133.06465	3.5
133.10132	17.8
133.76039	1.5
135.08054	5.1
135.11708	16.8
137.09645	3.2
137.13240	1.9
141.06941	2.3
142.07829	1.6
143.08577	6.5
145.06535	3.8
145.10130	19.8
147.08041	4.4
147.11681	12.4
149.09634	4.1
149.13277	6.5
151.11195	2.7
155.08588	5.3
157.10158	8.2
159.11743	13.4
161.09663	2.6
161.13257	9.5
163.11198	10.1
163.14893	3.8
167.08530	1.8
169.10085	4.6
171.10480	1.8
171.11659	8.7
173.09654	2.1
173.13281	11.5
175.11163	2.8
175.14862	4.7
181.10146	2.7
183.11722	4.6
185.13309	6.0
187.14874	4.2
189.11229	9.2
189.16489	2.2
193.12259	12.4
195.11810	2.4
199.14896	2.2
203.14320	2.6
211.13246	2.5
223.14980	2.7
227.12799	28.2
233.15399	2.4
243.20993	3.2
247.17004	2.3
249.14859	2.0
261.22168	13.4
267.15936	20.9
267.18573	1.9
279.23325	1.6
285.22104	3.9
287.20142	3.0
293.20892	1.6
299.24094	2.5
301.25198	21.6
303.23273	3.9
313.10815	1.5
317.24884	1.9
329.21225	1.8
335.25858	15.0
359.25809	3.4
403.24756	2.1
421.26013	2.5
434.29416	1.9
435.27429	2.5
435.32687	7.3
453.33728	15.2
471.34714	11.9
527.37366	54.4
545.38428	100.0
546.39160	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.0
52.58282	1.4
53.03938	7.6
55.01875	5.3
55.05266	2.9
55.05517	40.6
55.05910	1.7
57.03436	10.5
57.07071	2.9
58.31210	1.5
61.11869	1.5
65.03925	3.5
67.05511	74.1
69.03426	5.8
69.07069	15.7
70.70678	3.7
71.04995	6.1
77.03933	1.9
79.05500	52.2
81.03429	32.7
81.07065	66.8
83.05002	7.8
83.08628	24.6
84.91433	1.8
85.02917	10.1
85.06542	4.7
91.05486	49.2
93.07054	45.0
95.04981	21.5
95.08054	3.3
95.08620	45.5
97.06543	6.6
97.10178	15.0
101.66422	1.6
105.06403	2.0
105.07050	34.2
107.04939	6.7
107.08603	26.4
109.06508	5.7
109.10162	26.7
111.04451	1.6
111.08080	6.5
117.07037	14.5
119.08590	29.9
121.06496	9.0
121.10155	19.1
123.08076	6.0
123.11716	7.2
125.09647	14.3
129.07016	11.9
131.08578	28.5
133.10135	19.7
135.08055	5.3
135.11679	9.7
137.09648	3.4
137.13174	1.7
139.11205	2.5
142.07808	3.1
143.08574	8.6
145.06491	2.8
145.10136	21.9
147.08012	3.2
147.11699	17.3
149.09599	5.3
149.13272	4.8
155.08557	5.3
157.10144	9.3
158.85555	1.9
159.08118	1.6
159.11705	10.4
161.09711	2.6
161.13321	9.3
163.11203	2.3
163.14870	2.4
169.10167	4.6
171.10252	3.0
171.11685	5.8
173.13268	10.9
175.11195	7.9
175.14854	4.6
181.10228	2.1
183.11687	2.8
185.13220	4.6
187.14859	3.8
189.11230	6.7
193.12242	22.7
195.11681	1.8
197.13304	2.8
199.14851	2.7
211.13258	19.5
225.16371	1.9
227.12752	9.6
233.15384	2.5
243.21136	2.4
247.17043	2.0
261.22076	13.0
265.19644	1.9
267.15936	18.4
285.22079	3.3
298.88516	1.6
299.23651	2.0
301.25305	14.1
317.24789	2.7
335.25854	15.1
359.25723	3.0
435.32541	4.9
453.33780	14.9
471.34610	7.4
509.36758	3.1
527.37372	47.5
545.38385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67273	1.7
53.03943	4.7
55.01871	8.1
55.05261	3.1
55.05518	40.8
57.03445	9.9
57.07074	2.5
59.04996	3.2
65.03945	2.4
67.05513	79.3
67.54411	1.9
68.97269	2.2
69.03439	4.2
69.07075	24.6
69.25560	8.5
69.25990	11.2
71.04991	5.2
79.05498	50.9
81.03423	28.1
81.07066	70.1
81.91613	1.9
83.04990	4.4
83.08626	27.6
85.06563	3.9
91.05491	41.1
91.62670	2.0
93.07056	42.7
95.04984	22.9
95.08055	3.1
95.08623	48.8
97.06561	5.8
97.10190	20.5
102.63419	1.9
105.07043	38.5
107.04969	7.6
107.08604	30.7
109.06547	5.7
109.10167	33.0
111.08092	4.9
117.07021	19.5
119.08585	30.0
121.06489	11.4
121.10142	21.4
123.08028	9.6
123.11713	8.1
125.09656	16.4
128.06270	3.7
129.07008	12.8
131.08568	23.1
131.40321	2.0
133.06537	2.3
133.10159	23.9
135.08095	8.8
135.11717	11.8
137.09627	3.9
143.08588	10.6
145.06493	4.6
145.10130	22.3
146.98218	4.1
147.08046	3.6
147.11703	14.6
149.09650	5.0
149.13284	8.1
153.09201	2.4
155.08568	4.5
157.10173	11.5
159.11745	13.9
161.09583	2.5
161.13269	9.3
161.74413	2.0
163.11246	4.9
168.30559	2.5
169.10153	5.1
171.10139	3.3
171.11693	7.3
173.13327	8.2
175.11208	4.1
175.14848	5.1
183.11781	3.9
185.13297	8.1
186.91794	2.0
187.13327	2.5
187.14859	6.9
189.11255	11.0
193.12212	9.6
197.13274	4.3
227.12773	17.1
243.20978	5.1
249.18268	2.4
261.22162	13.8
267.15930	25.3
273.18704	2.3
275.20160	2.0
285.22110	5.5
287.20166	2.2
289.21878	2.2
299.23810	2.5
301.25311	19.9
317.24826	4.3
327.23239	2.6
335.25870	22.1
353.27777	2.1
355.72198	2.2
357.27954	2.4
359.25720	2.8
380.60922	2.3
403.24988	2.4
417.31113	3.2
421.25766	3.2
435.27606	4.3
435.32574	11.1
453.33759	16.8
471.34738	17.1
509.36365	3.1
527.37390	60.4
545.38422	100.0
546.38947	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01863	5.7
55.05266	1.6
55.05515	22.8
55.39273	1.1
57.03441	10.1
57.07053	1.6
65.03946	4.0
67.05507	58.5
69.03432	3.8
69.07072	15.1
71.04978	5.9
71.24699	1.4
72.73560	1.2
77.03919	1.3
79.05494	53.3
81.03420	38.4
81.07062	57.1
83.04986	8.9
83.08616	19.9
85.02914	19.4
85.06548	2.7
91.05484	50.1
93.07050	52.1
95.04974	22.7
95.08609	35.7
97.02882	2.2
97.06535	5.5
97.10157	6.7
105.04536	1.2
105.07037	31.7
107.04958	5.1
107.08604	27.2
109.06534	4.1
109.10161	16.6
111.04451	1.6
111.08074	8.9
113.05981	2.2
115.05451	2.2
116.06170	1.3
117.07014	7.1
119.08591	26.6
121.06540	3.2
121.10144	22.8
123.08083	3.2
123.11715	4.6
125.09637	5.1
128.06252	1.9
129.07028	10.1
131.08569	18.2
133.10149	16.7
135.11707	13.0
137.09625	2.6
142.07829	2.6
143.08598	2.8
145.10144	10.1
147.08014	1.5
147.11678	17.2
149.09680	5.9
149.13292	4.6
151.11179	1.9
154.94202	2.3
155.08594	2.1
157.10118	10.6
159.11711	6.9
161.13295	5.0
165.12785	2.2
169.10168	2.1
171.11670	2.6
171.50023	1.2
172.95262	1.3
173.09612	1.3
173.13280	5.1
175.11215	8.7
175.14862	2.8
183.11705	1.4
185.13284	2.5
187.14876	2.7
189.11183	3.2
193.12248	41.6
197.13297	1.7
199.14836	2.2
200.03796	1.2
207.14087	1.1
211.13287	46.6
227.12865	3.8
243.21039	3.3
261.22104	8.5
267.15927	7.6
285.22125	1.4
293.04422	1.2
301.25320	7.4
317.18051	1.4
317.24872	2.7
335.22406	1.3
335.25742	6.4
341.24716	1.4
417.31241	1.8
421.25821	1.6
435.32678	4.8
453.17258	2.0
453.33856	5.8
471.34741	5.2
509.36780	1.8
527.37341	24.9
545.38391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
54.63743	0.7
55.01863	2.3
55.05511	7.2
57.03440	5.5
57.07043	1.2
61.83637	0.9
62.06083	0.8
65.15909	0.7
67.05511	12.4
69.03416	1.1
69.07076	9.0
69.17302	1.7
69.17712	7.3
71.04968	1.9
71.08624	4.5
72.21271	0.7
79.05491	9.3
80.57931	0.8
81.03418	2.4
81.07063	16.4
82.07366	0.8
83.04960	2.2
83.08625	5.0
85.02885	1.5
85.06522	1.5
91.05484	6.9
93.06542	1.1
93.07050	10.6
95.04961	2.0
95.08619	12.6
97.06524	3.2
97.10164	1.6
98.98487	4.2
99.08108	3.7
105.07035	8.0
107.04946	1.5
107.08591	8.6
109.06522	9.2
109.10155	4.9
111.08082	2.0
117.06978	1.7
119.08581	10.2
121.06454	1.0
121.10147	6.9
123.08071	16.0
123.11679	2.2
125.09650	1.3
129.06981	1.3
131.08537	3.8
133.06448	1.1
133.10129	8.5
135.08044	9.6
135.11673	3.2
137.09650	1.9
143.08647	1.0
145.10117	4.2
147.04359	1.0
147.07980	0.9
147.11700	7.2
149.09563	1.3
149.13243	3.2
157.10118	2.3
159.11699	3.9
161.09596	2.1
161.13226	1.7
163.11179	1.5
165.12756	1.6
167.14352	2.3
171.11684	0.9
173.13246	2.1
175.11191	1.5
175.14844	7.0
177.12724	3.5
177.16403	0.8
179.12747	1.0
179.14319	20.3
185.13234	0.7
187.14903	1.7
193.12277	1.8
193.15887	1.6
205.15857	2.9
216.06416	1.9
229.14369	0.8
236.08185	1.0
251.10620	3.0
252.11086	2.7
263.20038	1.6
267.15848	1.0
271.20532	0.9
289.21606	7.6
293.21066	2.5
303.26843	1.8
319.22708	1.6
331.26321	12.5
337.23950	1.4
347.25638	1.2
349.27359	7.5
361.27170	1.0
369.27905	1.3
374.30478	2.2
375.28922	2.1
384.11322	1.8
387.28952	7.2
405.30014	100.0
406.30276	1.3
485.26712	1.3
503.28046	4.1
528.37585	1.4
546.38080	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.5
55.01863	8.7
55.05503	18.5
55.79513	6.3
57.03441	8.4
61.02913	7.0
67.05514	28.6
69.03435	5.9
69.07066	24.8
69.21700	52.9
70.61374	6.2
71.04973	8.0
79.05497	40.6
81.03417	26.5
81.07068	44.2
83.04978	17.3
83.08619	10.5
85.02921	16.7
85.06537	8.3
91.05518	32.9
93.07067	30.0
95.04972	21.0
95.08625	22.1
97.06536	26.1
97.10175	7.6
105.07025	32.4
107.04955	12.3
107.08604	12.0
109.06500	7.4
109.10165	12.8
112.63135	5.5
117.07046	9.9
119.05033	11.7
119.08598	21.2
121.06508	9.0
121.10149	7.3
131.08551	19.7
133.10138	14.2
135.08101	6.0
135.11693	6.7
141.06850	5.5
145.10146	17.9
147.04439	41.0
147.08136	7.3
147.11658	18.4
151.97380	6.1
157.10130	7.3
159.11792	6.2
163.11197	14.1
166.83556	5.8
193.12234	17.9
201.93788	5.4
211.13336	10.3
241.93677	5.5
257.19040	10.7
267.15945	12.9
275.20142	42.2
283.15338	14.8
285.16867	10.6
326.14731	6.1
349.23758	100.0
355.15375	10.4
367.24921	27.1
383.15018	13.0
384.11438	29.2
475.26727	6.0
493.27975	20.3
511.28619	10.5
546.19452	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	547.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86389	1.2
51.44156	1.3
52.74477	1.3
55.01870	4.5
55.05510	2.5
56.71007	1.2
57.03429	2.3
62.62993	1.4
67.05509	17.5
69.03418	4.0
69.07079	10.7
71.05887	3.7
77.04016	1.3
78.91740	1.3
79.05490	13.5
81.07059	2.3
83.04998	7.1
91.05459	3.2
93.03426	2.3
95.04971	21.2
97.06533	100.0
109.10168	2.3
111.04446	4.0
128.06285	1.8
129.06982	2.4
131.08601	1.4
139.03906	3.3
141.07002	4.1
143.08560	3.0
145.06438	2.2
147.04425	3.7
153.01895	2.3
154.07767	1.8
157.06538	2.9
157.10138	1.7
159.08080	1.9
161.05981	12.5
163.03893	5.9
167.08591	5.5
169.06372	3.3
171.08076	4.3
173.06000	6.0
173.09714	1.6
174.06781	4.4
175.07558	3.9
183.08003	3.1
184.08890	2.9
185.06058	2.1
185.09657	3.3
186.06837	2.7
187.07486	6.2
189.09119	14.5
195.08051	14.3
197.05997	2.2
197.09650	2.1
199.07584	9.4
201.05486	1.9
201.09171	1.7
203.07057	2.0
209.09651	3.7
211.07533	5.1
212.08337	3.8
213.09094	16.1
214.06268	5.2
215.07030	6.8
215.10638	1.8
223.07547	1.9
226.06322	2.0
227.10651	1.8
229.08565	2.3
230.09354	2.2
231.10228	7.8
237.08972	1.8
239.07146	2.0
239.10699	2.3
241.08607	10.7
241.12213	7.5
243.06500	2.2
255.10204	5.5
257.04468	2.6
257.08109	4.0
257.11761	1.6
258.04916	5.9
258.08926	4.6
259.05170	3.8
259.09702	19.6
259.23074	1.4
260.05960	1.4
265.12207	2.6
269.08063	1.9
270.12460	1.8
283.13165	7.2
285.14761	3.8
287.05362	8.8
288.05838	6.1
289.06058	7.7
299.12753	4.4
301.14346	4.7
303.08411	1.5
305.10181	2.3
309.14816	16.4
311.09146	2.4
311.12814	35.2
311.16202	2.3
313.14236	8.8
327.15848	14.0
329.13800	2.5
337.14337	12.9
355.15405	91.3
373.16489	13.9
383.11218	12.6
384.11618	19.1
385.11871	38.3
397.12646	1.3
412.57483	1.5
529.20612	6.0
529.27899	1.8
534.33539	1.5
547.21802	36.1
547.29700	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	547.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05517	6.3
57.03433	1.1
65.03931	3.3
67.05510	22.9
69.07063	4.6
69.66595	6.5
74.63792	1.2
79.05495	2.3
81.02757	1.3
81.07083	1.9
83.04989	15.8
91.05498	1.5
93.03403	1.1
95.04975	35.3
97.06539	17.1
97.50775	1.1
98.20843	2.0
104.40082	1.1
111.04440	3.4
115.05454	1.6
117.07091	1.4
128.06236	1.3
129.06931	1.4
141.07019	4.8
143.08588	1.5
144.05687	1.3
145.06476	1.5
145.10110	2.1
147.04330	1.2
153.06966	1.8
155.08549	2.6
157.06493	2.1
157.10115	1.3
159.08089	4.2
161.05981	2.7
163.03886	1.1
165.07050	3.2
166.20932	1.0
167.08560	2.6
169.06509	3.7
169.10139	2.9
171.08092	2.5
173.05934	6.4
173.09610	3.4
175.07578	1.7
178.07718	1.2
179.08650	1.9
181.06493	5.7
181.10184	2.3
182.07222	1.5
183.08037	2.9
183.11705	1.2
185.05946	5.6
185.09671	1.9
186.06775	1.2
187.07553	5.3
188.08316	4.2
189.05602	1.2
189.09059	5.1
191.03413	1.2
193.10175	1.4
195.08017	6.1
197.05983	5.0
197.09631	3.9
199.03918	1.6
199.07497	6.1
201.05455	3.4
201.09103	12.8
206.79106	1.1
207.08084	1.5
209.05983	1.4
209.09631	1.7
210.06705	1.4
210.10393	5.5
211.07617	5.2
211.11147	2.2
212.08403	2.0
213.05513	2.6
213.09102	8.6
214.06352	1.5
215.03572	1.9
215.07002	25.4
219.08128	2.5
221.09698	1.3
223.07562	5.6
224.08211	1.4
225.05582	2.1
225.09047	10.1
227.07033	6.1
227.10536	2.0
229.08604	6.3
231.10138	2.1
237.09137	2.4
237.12732	2.6
238.09874	5.4
239.07022	1.7
239.10667	4.3
239.14333	4.6
241.04926	2.9
241.08606	11.9
241.12305	1.7
243.06453	5.6
243.10123	4.0
245.07964	2.7
253.08591	1.8
255.10101	1.6
257.08051	1.8
257.15448	1.5
259.06165	5.8
259.09714	4.3
263.14465	1.5
265.12262	2.0
267.10727	1.9
267.13803	22.3
280.10815	1.6
281.15393	1.9
283.13333	5.3
285.07434	1.7
285.14841	3.9
287.05716	1.6
287.09113	4.2
288.05487	1.6
291.13831	2.6
293.11758	7.1
293.14722	1.5
295.13327	4.6
299.12845	1.5
303.08578	2.3
305.09982	1.5
309.14816	5.4
311.12799	58.0
313.14331	4.9
318.59103	1.2
327.15845	5.5
329.13730	2.9
337.14365	29.0
355.15414	100.0
373.16467	8.0
383.11060	2.2
384.11588	3.3
385.11884	9.3
547.21680	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	547.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35477	1.7
53.03947	7.3
55.01881	5.6
55.05269	2.2
55.05519	42.5
57.03448	10.4
57.07072	7.7
58.59303	1.6
59.34999	1.7
62.14790	2.0
63.02905	1.6
65.03938	3.3
67.05513	93.1
69.03426	3.9
69.07080	30.9
69.17578	6.9
69.18001	11.9
71.05005	22.3
71.08644	4.8
79.05502	60.0
81.03426	35.4
81.06583	4.0
81.07066	80.0
83.04987	7.1
83.08629	34.8
85.02924	2.1
85.06559	5.7
91.05489	43.9
93.07053	55.9
95.04980	32.4
95.08618	58.0
97.06544	6.6
97.10180	20.2
98.20770	2.9
99.08125	3.3
99.56109	1.9
105.07045	29.9
107.04949	10.7
107.08613	31.0
109.06541	6.2
109.10172	39.8
111.08109	6.2
117.07019	9.4
119.08592	31.2
121.06544	8.2
121.10142	24.7
123.11724	11.4
125.09637	13.4
129.07062	6.8
131.08571	22.9
133.06561	2.8
133.10149	17.2
135.08098	5.3
135.11713	19.0
137.09625	8.5
137.13278	2.4
139.11282	2.1
142.07831	3.1
142.44411	1.8
143.08618	6.6
145.10162	14.3
147.08159	2.4
147.11723	13.6
149.13329	5.5
151.11232	2.5
153.12801	2.2
155.08670	2.7
157.10188	6.9
159.11749	7.1
161.13344	7.5
163.11220	6.4
163.14877	3.7
165.12883	2.0
169.10188	2.4
171.11777	3.8
172.49265	2.3
173.11865	2.3
173.13326	4.5
175.11224	4.2
175.14906	6.1
177.12791	2.5
179.14391	3.8
185.13208	2.0
187.14880	3.4
189.11183	9.1
189.16396	2.3
193.12248	15.8
199.14926	3.2
205.12263	2.1
211.13321	4.2
227.12849	11.1
245.22789	5.1
249.14897	3.8
261.22205	2.7
263.23755	5.7
267.15912	36.1
267.18515	2.5
285.25879	2.0
287.23825	2.1
289.21707	3.1
301.25452	4.6
303.23749	3.3
303.26791	13.9
319.26276	2.5
329.24918	2.9
337.27426	28.3
361.27399	3.3
419.33020	2.4
421.25922	2.5
427.36041	2.4
437.34070	8.6
455.35336	20.0
473.36224	11.8
503.37503	7.4
529.38922	66.3
532.48163	2.0
547.40076	100.0
548.40521	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	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17973	1.3
53.03944	6.3
54.52842	1.4
55.01872	8.4
55.05514	53.7
57.03439	19.3
57.05468	1.2
57.07075	8.6
59.05027	1.4
61.66364	1.4
65.03947	5.6
67.05508	95.3
68.05833	1.7
69.03437	4.2
69.07070	39.6
71.00932	3.5
71.04994	5.1
71.08633	4.2
72.04520	5.1
79.05497	58.6
81.03421	52.9
81.03914	2.7
81.07062	100.0
82.07418	2.6
83.04985	11.0
83.08621	44.0
85.02914	5.1
85.06510	3.5
85.10197	3.1
91.05489	49.7
93.07053	52.7
94.07396	2.0
95.04979	41.7
95.08611	67.3
96.08921	1.9
97.02925	2.2
97.06544	10.1
97.10178	31.0
97.67805	1.6
99.08077	2.7
105.04538	1.7
105.07044	35.3
105.07755	1.7
107.04963	16.1
107.08607	34.1
108.08979	2.3
109.06532	6.9
109.10165	35.5
111.08076	9.4
111.11744	4.4
115.05473	2.7
117.07032	12.9
119.08588	27.3
121.06496	11.9
121.10160	25.9
123.04458	1.8
123.08104	5.6
123.11694	12.1
125.09645	13.2
129.07031	9.8
131.08582	21.3
133.06538	3.4
133.10138	20.3
135.08107	6.2
135.11682	16.8
136.12064	1.9
137.09645	3.2
137.13281	4.0
142.07813	3.3
143.08615	6.1
144.09224	1.6
145.10112	16.1
147.08092	3.5
147.11737	12.8
149.09662	6.1
149.13301	6.9
151.11240	1.8
151.14897	2.8
153.09119	1.4
155.08578	3.2
157.10118	11.0
159.11682	7.5
161.13292	8.7
163.11186	11.3
163.14835	4.3
164.11519	2.1
165.12767	3.3
165.16446	1.9
169.10149	3.8
171.10286	3.1
171.11707	4.9
173.13287	3.7
175.11224	8.3
175.14864	7.8
177.12808	3.4
179.14513	1.4
181.12315	2.5
183.11769	2.4
185.13297	4.7
187.14842	2.1
189.11261	10.6
189.16458	4.5
193.12254	29.1
199.14868	2.0
201.16432	3.3
205.12274	4.2
211.13341	5.9
213.12854	1.9
215.18108	2.3
217.16116	1.5
223.13223	2.9
227.12782	20.9
228.13176	6.1
229.13712	1.5
241.18054	3.3
245.22731	6.8
246.75409	1.6
249.14931	4.9
263.23737	10.1
267.15927	55.5
275.20309	2.1
280.73053	1.5
285.17126	1.6
287.23602	2.4
289.21832	4.1
303.26758	17.0
305.24811	2.0
322.09155	1.6
331.26401	2.1
337.27405	43.4
361.27502	2.9
421.25842	2.5
427.35507	2.2
437.34082	9.7
455.35287	25.9
473.36368	13.1
491.37363	3.6
493.36493	1.6
511.37766	4.5
529.38947	78.1
530.39282	1.9
547.39984	95.9
548.40112	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	547.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01875	3.7
55.05516	24.1
55.47141	1.5
56.96558	2.1
57.03436	8.0
57.07083	13.0
65.03956	3.5
67.05514	73.2
68.05816	2.2
69.03448	3.7
69.07073	22.8
71.04983	3.9
71.08646	9.4
71.55490	1.7
79.05059	2.8
79.05503	40.3
80.05833	1.9
81.03432	37.5
81.07066	71.0
82.07398	2.5
83.04986	6.7
83.08634	20.5
85.02908	15.3
85.06530	2.0
85.10194	5.5
91.05491	30.6
93.07055	31.6
95.04976	28.6
95.08613	47.7
97.06549	6.3
97.10182	9.4
99.77233	1.5
105.07044	25.6
107.04975	6.3
107.08601	18.4
109.06540	3.6
109.10164	18.5
109.22417	1.4
111.04469	1.8
111.08082	8.6
117.07027	5.0
119.08598	19.8
121.06503	1.5
121.10152	15.6
123.04433	13.0
123.08096	1.7
123.11711	8.0
125.09660	3.8
129.07024	9.4
131.08598	12.1
133.06502	2.4
133.10149	15.6
135.08009	1.8
135.11688	9.5
136.93178	3.5
137.09599	3.4
137.13251	4.0
143.08589	3.8
145.10155	7.4
147.08069	4.5
147.11678	11.8
149.09587	3.6
149.13258	2.1
151.11223	2.3
151.14816	1.9
153.09114	1.8
154.94215	7.4
155.08609	2.2
157.10150	9.0
159.11687	2.7
161.13322	4.0
163.11224	5.8
171.11772	3.2
172.95308	9.1
173.09685	1.8
175.11209	6.6
175.14848	3.1
189.16531	1.8
190.96278	3.3
193.12268	27.8
207.13730	1.8
210.96771	1.7
211.13304	31.8
215.10793	2.1
228.97852	3.8
235.13269	14.9
239.23839	2.1
245.22719	2.3
253.14375	2.4
263.23831	4.4
267.16074	6.2
295.79742	1.8
319.19489	4.5
337.20554	3.7
337.27536	5.0
437.33920	2.8
455.18924	3.0
455.35260	3.3
473.19553	12.8
473.24573	1.4
473.35852	1.9
491.20798	2.3
529.38635	16.5
547.23181	5.4
547.39954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	6.4
53.95407	4.2
55.05512	19.9
57.03439	14.9
58.56456	4.1
59.67154	4.5
61.02916	6.7
67.05511	52.4
67.40745	4.7
69.03442	7.0
69.07072	20.8
70.38106	5.4
70.49250	9.6
71.05014	7.3
79.05502	55.0
81.07064	68.8
83.08618	14.3
84.04534	5.6
84.11910	4.3
84.51690	4.4
85.02879	12.4
85.41434	4.1
91.05492	48.2
93.02310	5.3
93.07055	62.4
95.04982	10.6
95.08617	51.6
97.02908	9.1
97.06532	10.7
97.10184	5.4
105.07039	46.6
107.08606	40.9
109.10166	27.1
111.08117	5.1
117.07040	13.8
119.08582	32.9
121.10116	29.1
125.09683	9.0
129.06995	7.7
131.08574	20.7
133.09276	4.7
133.10124	30.7
135.11681	20.8
143.08562	7.7
144.06557	9.7
145.10136	18.8
147.04321	4.9
147.11707	28.3
149.13287	15.3
154.01305	4.4
159.11690	23.2
161.13283	20.5
163.11172	4.4
163.14854	6.2
171.11685	4.2
173.13280	10.8
175.14899	7.0
181.12112	4.8
185.13368	6.7
187.14824	13.2
201.16446	8.2
219.17415	5.4
229.14281	6.5
241.19524	17.1
251.10756	4.6
259.20670	44.2
269.17419	9.0
277.21640	37.9
280.14203	4.9
351.25317	100.0
431.91968	4.6
500.18845	5.8
513.30713	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	548.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90349	5.4
55.01862	9.5
55.05521	17.7
57.03434	11.6
61.02908	5.8
64.97892	6.3
67.05517	63.6
69.07073	27.3
71.04964	6.3
71.55108	6.8
79.05509	45.7
81.03407	11.1
81.07068	60.0
83.04973	9.9
83.08614	16.6
85.02908	13.2
91.05495	46.5
93.07061	50.5
95.04919	9.1
95.08625	31.2
97.06548	13.4
97.10170	6.5
105.07054	33.7
107.08574	31.7
109.10154	24.3
117.07029	12.1
119.08583	32.8
121.10149	25.0
125.09595	8.6
129.07024	11.8
131.08580	19.2
133.10143	23.7
135.11732	19.7
145.10146	6.7
146.30858	6.7
147.04398	10.1
147.08054	6.4
147.11722	25.9
149.13295	13.3
151.11139	6.3
157.10152	11.7
159.11722	8.1
161.13258	14.3
185.13324	6.7
193.12134	5.7
198.52959	8.0
229.14311	10.6
232.21748	7.4
241.19493	11.1
251.10620	8.2
259.20651	44.7
277.18979	10.3
277.21533	44.0
313.59808	5.9
351.25296	100.0
459.73425	6.4
548.22089	6.8
566.32581	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	549.1248
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	0.2
55.01881	0.2
57.03437	0.5
65.03955	0.3
67.05505	0.4
69.03442	1.1
69.07085	0.2
69.97182	0.4
69.97578	0.4
70.06593	0.9
71.04995	0.2
72.08149	0.3
73.02891	0.2
75.00948	0.2
79.05483	0.5
81.03423	1.0
81.07076	0.3
84.04498	0.4
84.08149	0.4
85.02918	2.0
86.09721	0.3
91.05502	0.7
93.07043	0.3
94.04179	0.7
95.04974	0.4
96.89948	0.2
97.02901	0.8
97.28145	0.2
98.21477	0.2
98.97589	0.2
99.04469	0.3
103.05494	0.3
105.07054	0.6
107.08601	0.4
109.02899	0.3
109.06482	0.2
115.05495	0.6
116.07074	0.3
117.06939	0.4
120.57774	0.2
121.06535	0.4
121.10124	0.2
122.03651	1.3
122.06040	0.4
123.08076	0.4
124.01605	0.3
125.06087	0.2
127.03940	0.7
131.04970	0.2
131.08626	0.3
133.10138	0.9
134.03671	0.6
135.04414	0.2
135.07942	0.2
136.07587	0.5
137.05992	23.5
143.04944	0.9
145.04950	0.5
145.06509	0.5
146.03676	0.3
147.08031	0.2
151.03934	0.7
151.07588	0.2
152.01077	0.4
153.00758	0.2
153.01819	1.2
153.05486	0.2
155.06029	0.2
161.02402	0.3
161.09596	0.2
163.03955	0.3
163.11270	0.4
166.47772	0.2
167.03471	0.5
167.07080	2.3
170.02118	0.5
173.06042	1.0
175.07570	0.3
177.05464	0.3
178.06203	0.4
181.04988	3.4
181.06516	0.3
189.12769	1.1
194.84116	0.2
203.07063	0.3
205.08636	0.5
207.13814	3.4
208.13380	0.4
229.05043	0.5
230.05602	0.3
233.08176	0.3
235.09734	0.7
236.12816	0.4
252.09122	0.2
257.04474	0.2
258.05258	5.6
264.16055	0.5
269.04474	0.5
279.79675	0.2
285.03979	2.5
286.04745	30.1
287.05136	0.5
300.06247	0.5
301.07089	100.0
302.07419	1.2
315.08643	0.6
338.19629	4.0
355.22473	1.8
357.09619	0.3
357.13425	3.4
387.14432	2.0
388.23044	0.3
452.98633	0.2
472.75058	0.2
500.25269	0.2
517.27753	2.9
549.12274	1.7
549.19720	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	549.1251
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
56.96558	0.4
65.03946	0.1
69.03432	0.2
71.55715	0.1
79.05499	0.1
81.03428	0.2
81.07067	0.1
85.02923	0.2
91.05481	0.2
95.05000	0.2
97.06535	0.2
98.97569	0.1
104.65131	0.1
107.04973	0.1
107.18530	0.1
109.02869	0.2
117.03355	0.1
126.09364	0.1
127.03915	0.3
131.04916	0.2
137.06027	0.5
141.02290	0.1
143.00165	0.1
151.03918	0.2
153.01804	0.8
161.05994	0.1
163.03946	0.6
167.07047	0.2
171.03081	0.1
191.07079	0.1
197.45320	0.1
213.00827	0.2
215.07129	0.2
229.04927	0.3
254.01047	0.2
258.05270	15.2
259.05679	0.3
259.09692	0.1
269.04382	0.1
286.04745	33.7
287.05081	0.5
301.07089	100.0
302.07385	1.4
311.13132	0.1
313.13547	0.1
463.12469	1.4
464.12964	0.1
489.10779	0.3
507.11502	0.3
517.18488	0.1
531.11029	0.2
549.12469	2.2
549.20764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01857	1.5
55.05522	1.0
56.96560	2.4
57.03436	4.1
65.03967	1.1
67.05510	1.2
68.99807	0.8
69.03419	3.1
69.11296	0.8
70.06589	2.9
71.54523	1.7
72.08167	1.5
77.03932	1.8
79.05494	4.2
81.03429	2.1
81.07072	1.6
83.04985	1.5
85.02903	8.5
89.03944	2.5
91.05485	5.5
91.60902	0.9
93.07072	1.6
95.04970	1.1
97.02909	3.3
99.04465	1.6
103.05454	6.3
105.03401	1.6
105.07054	2.7
106.04196	1.5
107.04969	3.7
107.08605	2.2
109.02885	1.9
109.06499	1.7
111.04439	1.1
115.05498	1.1
117.03403	7.6
118.04177	4.0
119.04941	2.0
119.08645	1.3
120.08111	1.0
121.02905	1.3
121.06511	2.3
121.10154	1.0
123.04446	1.1
123.08080	1.9
127.03953	2.6
131.04939	10.5
131.08614	2.8
132.05725	6.6
133.02838	5.1
133.10139	5.3
134.03659	2.0
135.04425	9.0
136.07623	1.6
137.06010	9.0
138.03174	1.0
141.05450	0.9
145.02858	4.8
145.04977	1.9
146.03633	40.4
147.04402	5.1
149.02377	1.2
149.06001	5.9
149.09630	1.1
150.03094	1.6
151.03909	2.7
151.07544	2.0
151.11165	1.0
153.05489	12.4
159.04471	2.7
160.05226	2.4
161.02379	2.1
161.05957	1.8
162.03130	7.5
163.03918	35.6
163.05240	2.1
163.07515	1.2
163.11180	3.2
165.05499	16.4
166.06277	12.9
167.07085	2.1
177.03853	1.1
177.05481	50.4
178.06262	100.0
179.03293	1.2
179.07037	1.3
187.03902	5.0
189.12788	3.3
191.07071	1.1
191.14354	1.8
193.04968	12.5
194.05753	2.3
195.06555	1.1
199.03941	1.9
207.13802	24.5
217.04939	2.3
221.05960	1.4
234.02074	1.7
249.05473	1.2
251.07036	1.1
257.12793	2.1
263.07141	1.9
268.12134	1.5
278.05743	1.1
286.04413	1.1
293.08041	2.6
297.07498	1.1
301.07065	3.1
309.07544	1.5
311.09164	2.3
313.11859	2.3
314.12311	1.3
315.08728	1.3
321.07523	1.8
321.11182	1.3
327.08670	5.4
338.19644	8.9
339.08679	29.6
339.12717	2.1
342.12396	1.2
351.07455	1.6
355.22223	5.0
357.09698	68.1
357.51102	1.3
500.24619	1.3
507.11545	1.5
517.14447	3.4
517.27539	5.9
549.17499	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	549.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.5
55.01868	5.1
55.05511	25.7
57.03434	7.7
65.03951	5.0
67.05510	94.1
69.03442	4.7
69.07076	17.1
69.87991	6.0
69.88374	5.2
71.05010	5.5
73.99785	1.9
79.05500	51.2
81.07062	75.0
82.89769	2.2
83.04980	9.2
83.08629	9.6
85.06538	7.0
91.05488	86.6
93.07050	60.6
95.04990	14.7
95.08619	42.2
97.06554	4.5
97.10191	3.7
99.08096	2.3
105.04559	2.6
105.07036	52.2
107.04983	4.2
107.08602	46.4
107.09299	3.4
109.06531	5.2
109.10162	59.8
113.06040	4.4
117.07059	16.2
119.08588	27.2
121.10152	19.4
123.11716	10.1
125.09653	2.6
128.06230	6.9
131.08601	15.9
133.10138	100.0
135.11705	14.5
143.08582	9.5
145.10165	8.8
146.09489	2.3
147.11725	5.0
149.13271	7.4
151.11188	47.5
159.11679	6.1
161.09615	20.9
161.13260	4.1
163.14774	2.2
169.12271	8.9
173.11777	6.3
173.13289	6.2
175.14867	2.6
178.98857	2.1
179.10736	25.0
187.14812	3.3
197.11786	9.5
215.12816	41.8
227.16371	3.5
229.14359	4.4
243.21185	4.7
253.14421	24.6
261.22031	14.7
271.15393	36.5
289.16458	2.9
293.01031	2.3
329.52939	2.5
335.25772	16.1
377.26825	5.8
513.47546	2.6
531.36932	9.5
549.38000	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01868	4.2
55.26973	1.4
56.24520	1.4
67.18706	1.5
68.20225	1.5
69.41805	3.9
69.42225	8.6
69.43769	1.6
70.06590	12.2
72.08178	2.3
79.05504	7.0
81.03417	2.6
81.62510	1.5
84.04506	2.7
85.02914	2.5
86.09716	3.7
91.05476	4.9
95.05009	2.1
98.21500	3.7
103.05482	25.1
105.07047	66.1
108.72936	1.6
109.02894	1.9
110.07199	1.9
115.05460	14.8
118.04185	10.0
119.08595	3.2
120.08081	2.0
131.04933	13.1
133.06505	57.1
137.05977	2.0
143.05000	2.1
143.06055	3.8
145.04857	1.6
147.04401	3.2
147.07707	1.7
148.05211	6.7
158.62479	1.7
161.06004	100.0
163.07568	11.4
177.05507	3.0
191.07045	61.7
193.08629	39.4
340.20477	1.7
389.23825	4.0
551.29071	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	551.2834
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
56.96582	0.5
67.05508	0.6
68.30428	0.3
69.20067	3.3
79.05488	0.5
81.03440	0.5
81.07072	0.6
91.05489	0.5
93.07072	0.4
97.06521	0.4
105.07022	0.5
107.08618	0.4
109.10132	0.5
130.86264	0.3
137.48593	0.3
147.04469	0.4
165.69339	0.4
185.04385	0.4
251.12743	0.4
259.07739	0.4
267.09131	1.1
285.10214	1.3
287.91583	0.4
313.06033	0.3
333.19278	0.7
375.20865	0.5
389.22961	1.8
551.28308	100.0
552.28522	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	551.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05518	14.7
57.07068	11.1
59.31310	2.7
65.03931	3.2
67.05515	28.6
68.46952	2.3
69.07081	18.2
71.15530	4.5
71.15872	2.8
76.82778	2.6
79.05502	24.7
81.03403	3.6
81.07064	37.8
83.08629	11.3
85.06541	3.4
91.05484	36.2
93.07050	55.3
95.04964	7.4
95.08619	52.0
97.10191	2.8
105.04638	2.4
105.07039	78.3
107.08601	63.0
109.06556	2.6
109.10173	45.2
111.08096	3.0
115.05445	4.6
117.07010	17.0
119.08593	100.0
121.10160	48.8
123.08051	2.7
123.11714	14.7
125.09608	3.0
128.06227	7.1
129.07039	12.8
130.07758	7.0
131.08588	37.0
133.10139	62.3
135.11705	42.7
142.07782	15.2
143.08572	21.9
144.09276	4.5
145.10143	64.4
147.11734	23.0
149.09624	3.9
149.13271	6.0
150.12128	2.5
153.10164	2.8
155.08557	10.8
156.09315	14.9
157.10146	41.8
158.10944	5.9
159.11708	40.9
160.12314	3.0
161.13234	10.2
163.11192	2.7
167.08566	5.5
168.09303	3.7
169.10172	19.5
170.10884	4.9
171.11717	20.2
173.13306	23.7
175.13474	4.0
175.14838	39.6
179.08539	7.2
181.10101	8.7
182.10918	8.6
183.11717	15.7
185.13275	14.0
187.14786	13.9
189.16425	3.4
193.10162	6.9
194.10921	3.5
195.11693	11.6
196.12457	3.6
197.13290	22.4
198.13902	3.4
199.14828	7.3
201.16418	15.2
205.15880	3.3
207.11694	6.1
208.12477	4.5
209.13319	15.7
210.14131	2.8
211.14835	10.0
213.16414	4.8
219.11714	3.5
221.13258	8.7
223.14941	11.6
225.16386	4.5
233.13272	3.5
235.14828	3.9
237.16267	5.1
239.18034	3.0
241.19572	3.3
245.13254	3.8
247.14864	5.2
248.15448	3.1
249.16408	6.0
251.17957	3.1
253.19528	8.9
261.16443	4.1
263.17896	3.3
265.19510	3.8
267.21033	4.0
275.17911	3.9
277.19470	5.2
285.22083	4.1
291.20905	2.9
323.99051	2.6
345.25967	4.1
429.31540	2.4
533.41125	4.0
551.42743	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
56.96527	0.4
67.05473	0.7
69.03397	0.5
69.07043	0.7
70.06568	0.4
71.55346	0.5
79.05473	1.0
81.03403	0.8
81.07043	0.8
84.04497	0.5
84.08075	0.4
85.02892	0.7
86.06045	0.4
91.05448	0.7
93.07004	0.8
95.04963	0.6
95.08566	0.8
97.06496	0.7
98.09625	0.4
102.05541	0.4
104.10744	0.6
105.07030	0.7
106.35167	0.4
107.08594	0.5
117.03314	1.0
119.08528	0.6
121.10151	0.7
125.90157	0.4
133.02786	0.5
134.03627	1.1
136.05183	0.6
137.05984	4.2
145.02887	2.3
147.04372	1.0
149.06020	0.7
153.01816	3.0
156.46561	0.3
163.03897	0.9
177.05437	5.7
177.83600	0.4
184.07364	0.8
184.86107	0.4
194.05833	0.7
199.43027	0.5
203.03404	11.3
229.04961	8.8
229.07077	0.3
241.04869	1.2
242.05807	2.6
257.04465	100.0
258.05151	3.6
269.04391	0.6
269.13589	0.5
271.06061	0.6
285.03961	3.1
286.04715	7.4
287.05435	3.3
297.03922	6.7
345.07596	0.8
361.06955	0.8
373.07040	2.4
374.08081	0.6
389.06610	1.5
390.07336	0.9
391.08054	1.0
401.06525	1.5
402.07245	0.5
405.09763	0.5
418.06857	1.1
419.07498	2.8
425.48337	0.4
433.09140	1.7
435.10892	1.4
439.28046	1.7
446.06165	0.7
461.08298	0.9
479.09824	7.2
479.16309	0.8
553.13440	85.9
553.28864	7.0
554.13501	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1343
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
53.03927	0.6
53.34183	0.3
55.01860	0.4
55.05484	0.6
55.33205	0.3
57.03414	1.0
65.03912	0.5
67.05465	0.8
69.03405	0.5
69.07041	0.7
69.24517	1.0
69.24944	2.4
70.06592	5.0
79.05467	1.1
81.03384	0.9
81.07030	0.9
84.04510	0.6
85.02894	0.8
89.03898	0.5
91.05461	1.1
93.07024	0.7
94.04153	1.0
95.04975	3.1
95.08604	0.9
97.02872	0.4
97.06535	0.9
98.10258	0.4
104.10742	0.5
105.03383	0.8
105.06998	0.8
107.04951	1.4
107.08569	0.4
109.02869	0.5
109.06529	0.6
109.10145	0.5
117.03430	0.4
119.08643	0.4
121.02826	0.6
121.10069	0.5
122.03642	2.0
123.04436	2.0
127.03847	0.3
133.02843	1.1
134.03606	0.9
135.04422	0.5
136.05167	1.2
137.05984	26.0
138.06293	0.3
145.02814	2.4
147.04404	0.7
148.05122	0.4
149.05994	0.9
149.09708	0.3
150.03119	0.5
153.01840	7.1
161.02348	0.7
162.03209	0.4
163.03900	0.6
164.04688	1.1
168.04126	0.6
177.05463	6.2
184.07332	1.9
194.05750	0.6
197.05991	0.5
203.03395	6.6
213.05429	1.8
221.05878	0.4
225.05492	0.6
229.04965	5.8
229.07056	0.6
241.04977	2.8
242.05740	5.7
251.12784	0.6
253.04999	0.7
254.09383	0.4
257.04462	52.1
258.05243	4.0
269.04541	2.7
269.13525	0.8
270.05307	2.5
271.03189	0.4
271.05762	2.3
281.04639	0.5
281.08075	0.5
285.03946	4.1
286.04715	10.2
287.05505	7.9
291.19516	0.6
297.03949	13.2
305.07935	0.6
307.14993	0.5
308.06750	0.8
309.07138	0.4
310.04492	0.5
311.05548	0.7
329.13864	0.4
334.08420	0.9
344.06641	0.5
345.07700	1.1
357.07669	0.6
361.07104	2.2
362.07736	0.7
373.07071	12.6
374.07620	0.9
389.06577	3.8
390.07486	0.8
391.08014	0.8
401.06573	14.5
402.07401	1.1
403.08200	0.5
405.09793	1.0
418.06885	2.2
419.07751	1.6
420.08414	0.4
429.06219	0.5
433.09131	5.5
435.10760	4.6
446.06412	3.9
461.08704	12.7
461.15308	0.6
471.13660	0.4
479.09720	4.5
535.29468	0.8
553.13440	100.0
553.29669	11.5
554.13672	2.0
555.08875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
53.03949	1.5
55.05502	1.0
56.05025	0.5
57.03439	1.0
64.48153	0.4
65.03953	0.7
66.04712	0.5
67.01893	0.5
67.05506	2.0
69.03402	0.5
70.06593	0.6
71.35196	0.4
79.05503	1.3
79.42528	0.4
79.80086	0.4
81.03401	0.8
81.07059	1.4
83.00593	0.4
83.08643	0.7
84.04492	2.8
86.09706	1.0
88.03994	0.6
89.03903	0.5
91.05476	2.2
93.07044	0.7
94.04195	1.0
95.04967	4.8
95.08607	0.8
97.06542	0.6
102.05569	1.3
104.10741	1.1
105.03394	1.6
105.04480	0.6
105.07068	0.4
107.04959	1.5
107.08568	0.5
109.06509	0.8
109.10178	0.8
114.59633	0.4
117.03409	0.6
117.07032	0.6
119.08563	0.8
121.02843	0.6
122.03648	3.1
123.04464	2.7
130.04996	0.9
131.04935	0.6
131.08618	0.6
133.02855	1.7
134.03622	0.6
135.04459	0.8
136.05194	0.7
137.05984	38.0
140.02644	0.4
145.02869	1.9
147.04443	0.7
148.06093	0.6
149.05994	1.4
150.03081	0.7
153.01828	9.9
161.02312	0.8
163.03960	1.0
163.70012	0.4
164.04703	1.5
165.07039	0.6
168.04218	0.8
169.10178	0.5
177.05473	5.3
184.07373	0.9
194.05768	0.5
203.03406	4.4
205.06462	0.6
213.05519	1.9
221.05978	1.0
229.04987	5.1
237.05650	0.8
239.07072	0.5
241.04996	3.5
242.05768	7.5
251.04855	0.5
251.12711	0.7
253.04930	1.5
257.04462	32.5
258.05179	4.9
265.04977	0.9
269.04358	3.3
269.13547	0.5
270.05255	3.5
271.06030	3.1
273.18530	1.2
276.01108	0.5
281.04584	1.0
281.08075	0.9
285.04025	3.1
286.04736	10.3
287.05420	4.6
293.04602	0.6
297.03952	16.5
308.06909	0.5
310.04730	0.6
311.05493	4.1
316.07190	0.5
317.08060	0.6
322.88779	0.4
337.03391	0.6
344.06808	0.6
345.07562	1.8
357.07779	0.6
361.07196	3.0
362.07465	0.6
372.06201	0.5
373.07101	19.1
374.07855	0.8
389.06464	3.2
390.07422	0.6
391.08118	0.8
401.06573	20.5
402.07288	2.1
405.09573	0.9
417.06390	0.6
418.06946	3.4
419.07733	1.1
429.06088	0.6
433.09186	8.7
435.10699	3.0
446.06311	6.1
461.08673	25.1
479.09616	3.6
502.12778	0.5
535.12238	0.7
535.29407	0.7
543.41522	0.7
553.13434	100.0
553.29407	8.9
554.13898	1.8
570.20599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
56.36734	0.2
56.96562	0.2
57.03439	3.1
62.19233	0.2
67.05483	0.8
68.99799	0.6
69.03409	0.7
75.04484	1.1
77.61066	0.2
79.05498	0.4
81.03389	0.4
81.07037	0.6
81.13347	0.2
85.02886	0.4
91.05449	0.4
93.07063	0.4
95.04939	0.5
97.06512	0.7
105.07042	0.4
107.08583	0.3
119.08520	0.3
121.02831	0.5
121.10126	0.4
123.11665	0.3
127.03896	0.3
137.06012	0.4
142.05113	0.3
145.02831	0.3
145.10043	0.4
147.04349	0.3
151.03935	3.1
151.05031	0.3
152.06180	0.3
153.01839	14.9
159.04387	0.5
163.03844	0.7
165.01866	0.2
165.06987	0.9
173.02377	0.5
191.03372	0.7
193.06511	1.4
197.06006	0.7
198.60831	0.2
203.03407	0.6
209.05994	1.9
210.06786	1.6
213.05464	0.3
215.06975	0.4
220.05318	0.5
221.06013	2.9
222.06645	0.3
225.05551	0.5
225.09189	0.4
235.07590	0.5
237.05470	12.5
238.06305	2.2
243.06477	0.5
249.05530	1.8
250.06277	0.5
253.04935	0.5
253.08620	1.7
254.05620	0.3
259.09604	0.6
265.04980	20.8
266.05719	2.7
268.03961	0.3
269.04404	0.6
281.04486	8.3
281.08096	17.9
282.05338	1.3
282.08078	0.3
283.06049	1.6
287.05392	0.6
287.23706	0.3
293.04465	6.0
303.06470	0.3
309.03925	0.8
310.04651	1.7
311.05515	100.0
312.05823	2.1
319.06244	0.3
323.05542	0.5
327.06595	0.6
334.08313	0.3
337.03445	17.6
338.04288	0.3
344.06485	0.4
345.07611	0.3
355.05978	2.0
361.06854	0.7
371.05331	0.7
372.06235	0.7
373.07016	1.7
383.05499	1.3
387.08786	0.5
390.07315	0.4
400.05835	1.5
401.06534	3.7
405.09744	0.9
415.08139	0.7
417.06036	2.7
418.06909	2.5
419.07480	0.4
433.09219	19.0
434.09274	0.6
435.10831	0.5
461.08765	1.5
464.00354	0.3
479.09491	0.6
546.07355	0.3
553.13403	21.3
554.13287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79164	0.5
55.05467	0.7
56.94400	0.5
65.03897	0.6
66.81693	0.5
67.01806	0.7
67.05450	1.0
69.03389	1.3
69.51258	2.1
69.51665	1.8
71.04935	0.8
79.05444	1.2
80.31840	0.5
81.03368	1.1
81.07001	1.7
83.08549	0.6
85.02825	2.1
91.05425	1.2
93.06993	1.4
95.08555	1.5
97.06507	1.3
105.06990	1.2
107.08551	1.2
109.02834	0.9
109.10123	0.9
119.08525	0.9
123.04274	0.8
125.05960	0.8
127.03840	1.6
133.10028	0.7
135.04341	0.9
137.05905	2.1
145.02695	0.7
147.04277	0.9
151.03864	1.4
153.01843	26.3
153.05481	1.2
153.06657	0.6
163.03882	3.2
164.04300	0.9
165.07007	1.1
182.07191	0.9
193.06444	1.4
203.03336	0.6
221.05885	2.0
238.06154	1.3
253.08652	1.1
257.04425	1.9
259.09555	2.2
265.04947	1.6
266.03394	0.5
266.05798	6.9
281.04443	3.8
281.07986	3.7
282.05185	1.1
283.06018	1.1
289.05246	1.7
305.08026	0.8
311.05511	6.6
316.07303	1.3
327.06091	0.9
333.07648	1.2
334.08264	4.9
335.05710	0.7
344.06818	1.6
345.07608	4.0
355.06009	0.8
361.07065	8.7
362.07565	1.6
373.07144	7.0
374.07675	0.8
387.08582	1.1
389.06586	9.0
390.07379	34.4
391.07919	0.8
401.06589	9.0
402.07336	0.8
405.09772	16.9
415.08109	0.8
417.06284	4.4
418.06885	73.2
419.07587	4.5
420.08380	1.8
429.06470	2.3
433.09235	53.2
434.09354	1.6
435.10889	4.8
446.06448	15.1
461.08725	81.4
462.08896	2.0
535.12616	3.4
553.13501	100.0
554.14032	2.1
555.15723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2812
Annotation	Canthiumine
Peak:m/z	Relative Intensity
58.98328	0.4
67.05505	0.8
69.07060	0.5
71.55357	0.6
81.07063	0.8
89.13830	0.4
93.07050	0.4
95.08663	0.7
119.08575	0.7
121.10184	0.4
124.05740	0.4
130.28799	0.4
363.16254	1.6
377.17468	2.8
378.18588	2.8
379.19214	1.1
391.19214	3.4
392.19891	3.3
393.20712	8.9
405.20938	1.8
406.21497	3.4
407.16714	0.8
407.22287	10.2
419.23044	0.6
420.23019	0.9
421.18140	0.8
421.23886	6.2
422.17609	1.7
422.23898	0.5
423.18063	1.2
433.19827	0.9
435.18118	0.8
436.18808	1.0
437.19705	9.6
447.22440	0.5
448.22537	1.4
451.21323	12.7
462.24365	0.7
465.22906	2.3
466.23303	0.6
477.26651	4.7
479.24908	0.7
480.25253	1.7
493.25882	1.2
503.24545	5.0
508.28421	0.7
509.22070	0.6
509.28986	5.2
524.24072	2.1
535.27075	5.6
536.26923	0.6
538.25769	0.9
553.28125	100.0
554.28656	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	553.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36145	0.8
55.05509	1.1
55.53716	0.7
56.96559	0.9
67.05499	2.3
69.07065	1.6
71.55043	0.8
79.05492	1.2
81.07060	1.5
84.04510	1.0
91.05515	0.8
93.07033	1.2
95.08640	0.8
105.07029	1.3
106.22429	0.9
109.10075	0.9
109.87785	0.9
173.11691	0.9
212.16563	1.7
215.93158	0.8
238.18123	4.5
254.00774	0.8
346.82422	1.0
385.23474	4.2
391.24503	1.7
553.29755	100.0
554.30261	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	553.2992
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
52.94298	0.5
53.42770	0.5
55.05510	0.8
56.96558	0.6
65.84765	0.5
67.05497	1.2
69.07102	0.6
69.27487	2.0
69.27910	3.3
73.71869	0.5
79.05477	1.1
81.07037	1.3
83.08600	0.8
84.08142	0.6
88.74831	0.5
91.05471	0.7
95.08627	1.0
97.02918	0.6
97.06535	0.9
98.21495	1.2
104.39030	0.6
105.07079	0.6
109.10160	1.8
116.51492	0.5
124.65710	0.6
128.10738	0.5
133.10139	0.9
143.38005	0.5
144.81479	0.6
153.01826	1.3
229.04926	0.8
233.09557	0.7
257.04507	2.0
259.05939	0.8
267.09195	0.7
285.04080	1.2
285.10062	0.8
289.18234	0.7
303.05069	1.0
303.11835	0.7
317.19702	1.2
391.24731	1.3
463.26447	0.7
553.29840	100.0
554.30243	1.5
563.81061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11768	0.9
53.03945	3.0
55.01873	1.9
56.96574	0.8
57.03415	0.9
61.02916	1.1
65.03938	3.5
67.05504	1.3
68.99787	2.9
70.06591	5.7
70.88875	2.1
71.04993	1.0
75.04494	2.3
78.04714	2.1
79.05503	4.3
81.03423	1.8
81.07058	1.4
85.02919	3.1
86.09703	1.2
89.03966	1.4
91.04964	1.4
91.05489	15.2
93.03413	10.8
93.07054	4.2
95.04983	5.0
97.06516	2.4
103.05444	5.9
105.03431	1.5
105.04454	1.1
105.07019	1.6
106.04181	24.8
107.04967	4.4
109.06519	0.9
111.04500	1.1
117.03397	3.4
119.04982	2.4
121.02849	2.1
121.06516	25.2
123.04412	2.7
125.05989	7.3
131.04996	4.8
132.05731	3.2
133.06508	2.2
134.03676	4.6
135.04427	7.2
135.08002	1.0
137.05966	4.0
138.06688	0.9
139.07538	3.8
142.08595	1.1
145.02831	2.8
147.04413	2.4
148.05165	3.3
149.05995	38.3
151.07544	2.9
153.05487	2.1
153.09105	10.2
160.05144	1.8
161.06003	1.7
163.03934	9.8
163.07573	2.6
165.05479	1.2
167.07039	9.6
177.05486	25.2
179.07027	2.5
180.04210	3.5
180.07901	2.1
181.08598	19.8
182.09323	2.1
191.07043	8.0
192.07805	7.1
195.06450	4.8
207.11145	1.2
208.03709	1.5
209.08102	100.0
210.08783	3.7
212.54865	1.2
223.04155	3.5
223.06046	27.3
451.16995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.7
61.02914	1.8
65.03927	0.9
69.03438	3.6
70.06601	3.8
70.31219	1.8
71.05001	1.0
81.03410	1.6
81.07043	0.7
84.08128	1.0
85.02916	12.6
86.09675	1.0
91.05496	1.1
97.02919	3.3
97.06534	0.9
98.97574	0.8
105.06954	0.7
109.02888	1.4
115.05458	2.5
117.07059	1.5
119.69626	0.6
121.02854	0.6
127.03931	2.7
127.05436	1.0
128.06236	3.7
129.07024	15.5
131.04910	1.9
131.08588	3.6
136.07547	0.7
141.06972	1.0
143.08618	0.7
144.05682	1.0
145.04973	2.4
145.06465	2.3
146.07268	2.2
149.79329	0.7
152.07047	0.6
155.04926	5.2
155.05978	0.8
155.15770	0.6
157.06522	4.6
158.07281	3.2
159.04402	1.8
160.05212	3.9
161.09636	1.2
172.05203	3.8
173.05939	2.2
174.06784	29.7
175.07556	10.8
176.07895	0.6
177.05457	1.2
180.08653	1.4
182.19107	0.9
183.04436	0.9
187.05898	1.5
187.07564	21.9
189.09119	26.1
193.54414	0.6
201.05472	2.3
203.07047	2.5
205.04961	4.2
209.08081	0.7
215.07039	12.7
233.08105	100.0
240.08832	0.7
241.09766	1.1
251.09161	13.9
253.09554	1.0
295.63458	0.7
299.10175	2.2
359.12442	4.2
485.81531	0.7
491.29614	1.0
554.18243	0.9
554.27692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05518	26.8
57.03444	10.6
57.07090	12.9
62.32253	2.2
67.05513	18.1
69.07073	31.2
69.32771	7.2
69.33192	12.2
71.08637	9.2
79.05500	14.5
81.07055	16.1
83.08639	28.9
85.04333	2.1
85.10190	3.2
89.06033	6.7
91.05470	7.3
93.07072	29.4
95.04950	3.5
95.08614	28.2
97.06524	4.1
97.10184	21.3
105.07057	3.3
107.04983	6.9
107.08611	20.5
109.10188	2.9
111.11749	5.0
117.07042	5.8
119.08604	9.6
121.06525	6.0
121.10172	9.0
128.41751	2.6
130.07835	2.5
131.16925	2.2
133.08630	3.9
135.11723	33.3
136.47906	2.3
139.63850	2.2
145.10138	22.2
163.11201	43.9
181.12231	5.6
215.47881	2.1
227.12816	63.1
237.22244	3.0
283.15442	43.0
311.25854	100.0
519.36896	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01855	0.5
55.05512	2.9
56.05027	0.9
57.03434	0.7
62.06086	0.6
65.97810	0.3
67.05511	2.5
67.30860	0.3
69.03408	0.6
69.07064	1.9
70.06580	1.0
70.84319	0.8
71.08639	5.0
72.08148	1.6
76.03075	0.3
77.99132	0.4
79.05504	2.1
81.03417	1.0
81.07073	3.0
83.08611	1.6
84.04042	0.6
84.04509	9.8
84.08144	1.7
85.02866	0.3
86.06075	3.3
91.05472	1.9
93.07027	1.7
95.04962	0.7
95.08602	2.4
96.08131	3.0
97.06540	0.8
97.10175	0.9
98.06035	0.6
98.09715	2.9
99.04481	0.4
99.08104	2.7
102.05542	4.2
105.06997	0.9
107.04929	0.5
107.08589	1.5
108.08103	1.6
109.10150	0.7
110.09711	0.5
111.08061	0.4
112.07617	0.5
114.09122	0.4
116.10736	17.0
117.07014	1.0
119.04929	0.4
119.08569	1.1
121.10152	0.6
122.09648	1.1
125.09648	0.6
129.07047	0.6
130.05002	3.2
131.08583	0.4
133.10117	0.6
136.11240	0.4
137.09525	0.3
138.09122	0.5
140.10651	0.7
143.08542	0.6
143.10629	2.0
145.06430	0.6
147.04462	0.7
147.07980	0.4
149.13208	1.2
150.12790	0.5
152.14297	0.4
154.15924	3.5
157.10123	0.9
164.14297	0.5
166.15891	2.6
167.67805	0.3
168.17523	0.5
169.10196	0.5
171.08110	0.4
171.16577	0.4
178.15863	1.1
196.16985	9.3
212.16479	1.1
214.18028	100.0
215.18417	1.1
218.96657	0.4
231.15973	1.2
238.18042	0.6
239.16579	0.6
257.17490	0.7
267.15784	0.4
271.16916	1.2
289.18152	0.4
296.18588	0.8
310.23798	0.5
311.20010	0.5
342.19293	0.5
385.22888	0.5
439.28009	1.4
457.29419	2.8
463.28470	0.4
465.22089	0.4
537.33838	0.7
555.36969	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	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01858	4.0
55.05510	12.4
57.03440	9.9
57.07080	37.0
58.80243	1.1
66.63083	1.1
67.05508	24.4
69.06777	1.1
69.07082	11.5
70.06590	3.5
71.04987	2.9
71.08635	26.5
79.05495	20.7
81.03400	1.6
81.07067	26.2
83.04990	3.3
83.08628	13.6
85.10178	13.5
88.07602	2.2
89.06035	8.0
91.05495	6.7
93.07052	33.9
95.04964	6.5
95.08612	48.5
97.02879	3.9
97.06541	2.8
97.10152	4.1
99.04437	3.2
103.07581	1.5
105.07050	6.8
107.04977	7.2
107.08591	26.1
109.06528	1.6
109.10150	6.8
111.04371	1.3
111.08068	1.7
117.07029	6.4
119.08599	8.7
121.06501	4.3
121.10149	10.6
123.11714	1.9
125.05981	3.5
130.07722	2.2
132.10172	2.4
133.08621	5.3
133.10127	3.1
135.08028	2.3
135.11705	41.9
145.10117	29.9
146.11832	1.6
163.11194	48.6
177.11209	1.6
181.12265	7.9
190.70584	1.3
203.98935	1.5
209.11723	1.9
227.12794	70.0
229.53639	1.5
239.23540	2.2
240.97261	1.3
256.26389	3.2
257.24911	1.8
283.15402	64.1
283.26370	14.0
300.28973	6.2
311.29703	1.5
313.27374	100.0
371.22855	1.9
434.84631	1.6
521.38397	63.6
522.39203	1.9
556.44843	2.5
556.52979	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09070	1.7
64.37502	1.9
69.20844	12.6
69.21253	5.0
74.32294	2.0
82.30753	1.7
82.99866	4.1
84.88297	1.7
85.02901	3.4
101.00891	34.8
103.02522	2.0
108.10055	1.9
112.28084	1.7
113.00889	8.1
117.03979	3.9
119.01927	68.2
127.02422	15.7
129.04013	4.8
130.90460	2.0
131.01924	30.1
135.05078	2.9
137.02982	5.8
139.02394	4.2
141.03983	4.6
142.90607	1.9
143.01900	39.3
145.03482	70.0
145.97214	2.0
147.01442	4.4
147.05058	3.4
149.02917	2.8
155.01906	27.1
157.03481	14.6
159.05066	23.9
161.02968	44.0
161.04314	2.4
163.04556	11.7
167.01901	18.2
169.03481	60.5
170.03705	2.5
171.01416	7.1
171.05095	15.3
173.02966	36.0
175.04501	2.8
179.01907	5.7
181.03487	12.1
183.05046	2.8
185.02968	65.7
187.04535	96.6
189.02454	17.5
189.06136	3.3
193.03520	2.6
197.02968	19.4
199.04544	19.5
203.03990	15.2
207.03505	3.7
211.04524	18.0
213.02533	21.3
213.06102	5.4
215.04012	14.3
217.05641	2.2
221.05139	5.8
223.04599	6.2
225.02448	7.2
227.04094	12.9
229.05573	8.7
231.03522	37.8
233.01323	3.2
243.03580	5.8
245.05092	100.0
251.02634	3.4
253.05685	2.2
257.01401	9.2
257.05148	5.7
261.04697	2.4
261.07919	2.3
263.06131	13.9
271.06631	21.9
273.04535	3.6
275.02496	83.9
275.06110	23.5
287.02466	28.6
289.07587	3.2
293.03522	16.7
293.06854	3.0
297.04410	3.0
305.03546	25.0
305.07245	7.1
315.05551	9.3
317.03580	4.9
317.07028	2.1
333.06516	4.1
335.04651	30.7
335.08279	5.4
341.03439	6.3
359.04572	24.5
365.09299	7.7
377.05695	63.3
378.06253	2.3
384.90695	1.8
395.06744	91.5
396.07196	2.1
521.10132	3.0
539.10876	9.0
557.11957	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73415	0.1
51.02397	0.2
52.01466	0.1
52.05307	0.1
53.03952	0.7
55.01877	0.2
55.05516	0.2
55.24857	0.1
57.03438	0.2
63.02111	0.2
63.02352	0.6
67.01881	0.5
67.05510	0.3
68.99798	0.5
69.07063	0.2
71.05006	0.2
77.03967	0.2
78.04731	0.4
78.08631	0.1
79.05497	0.4
81.03426	4.5
81.07086	0.2
83.08622	0.1
89.03926	8.4
91.05481	0.9
93.07055	0.4
93.79597	0.1
95.04982	0.3
95.08630	0.2
97.02898	0.2
97.06548	0.2
98.21559	0.2
99.04472	2.6
103.05473	0.3
105.03423	0.2
105.07068	0.3
106.04188	0.6
107.08629	0.2
109.02893	5.6
109.10178	0.2
117.03391	22.7
119.04953	0.3
119.08643	0.2
121.06544	0.2
121.10062	0.2
124.05273	0.2
125.09650	0.1
127.03924	3.0
129.07002	0.2
133.10138	0.2
134.03648	1.6
135.04433	1.1
137.05917	0.1
142.12262	0.2
143.08583	0.2
145.02859	52.3
146.03209	0.4
147.04414	0.6
149.05997	6.6
151.03925	0.2
158.05975	0.3
162.03183	0.2
163.03920	0.6
169.04984	14.0
171.04308	0.1
175.03932	0.4
176.04718	0.2
177.05486	100.0
178.05887	0.7
179.03400	0.2
185.06047	0.3
186.05530	1.7
214.06171	0.2
215.07104	0.2
217.08588	0.3
221.04546	0.4
243.06599	0.2
253.05101	0.2
257.08035	0.2
259.09750	0.5
285.07629	2.7
303.08667	3.1
345.09689	1.5
348.37546	0.1
352.73981	0.2
535.19092	0.1
538.46045	0.1
557.34357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.01862	2.4
55.05513	9.2
56.96579	1.7
57.07059	1.5
65.00362	1.2
67.05513	7.2
69.03429	1.9
69.07077	11.2
70.02949	15.1
70.06586	7.4
71.04999	2.4
71.07375	1.3
72.08157	9.9
74.02437	2.2
79.05486	6.7
81.03423	4.7
81.07068	11.9
83.04996	2.1
83.08633	7.1
84.04502	1.5
84.08152	2.3
85.02945	1.4
86.06071	95.9
88.03998	43.3
89.03922	4.0
91.05496	4.4
93.07046	5.5
95.04990	1.8
95.08607	5.6
96.08119	3.0
97.02859	2.2
97.05963	1.2
97.06512	6.7
97.10194	2.2
98.06056	1.4
98.09696	19.0
98.21567	1.7
99.04466	3.5
100.07635	2.3
105.07033	2.9
107.04972	1.6
107.08592	5.4
108.08121	1.5
109.02888	4.2
109.10136	3.1
110.05166	1.3
111.08089	2.3
111.35276	1.2
116.03490	2.1
116.10735	100.0
117.03368	11.8
119.04887	1.6
119.08633	2.3
121.10152	3.3
124.03963	3.0
127.03905	1.6
131.08607	1.9
134.04497	3.7
135.04477	1.9
145.02838	27.1
147.04433	2.0
149.05983	2.7
149.13216	6.3
158.11778	1.6
159.11771	1.8
163.03938	10.9
164.04129	1.5
166.15929	3.5
167.14305	2.5
169.04977	7.9
177.05481	52.7
196.39697	1.3
212.16455	4.9
231.15886	3.5
238.18040	1.7
239.16504	2.4
259.09720	5.7
260.10037	2.1
264.15875	7.4
282.17078	4.5
292.22696	2.2
303.08652	2.6
310.16434	4.6
310.23798	11.4
328.24863	2.1
423.36185	1.7
425.26315	12.5
443.27567	94.9
539.33478	4.1
557.26599	1.8
557.34314	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	558.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61366	1.7
51.02382	1.9
53.03944	5.4
55.01891	10.2
55.05484	2.1
65.03948	3.3
67.05521	2.9
68.83154	1.6
69.03439	2.3
69.40071	8.3
69.40500	7.8
70.06590	8.8
70.56283	1.9
72.08144	3.4
73.02930	28.7
75.04478	7.6
78.04741	2.9
79.05499	14.4
81.03462	2.7
81.07089	4.7
83.04985	4.3
84.08149	32.0
85.02921	7.9
86.09711	6.2
91.05496	17.9
93.03427	9.0
93.07036	9.9
95.04975	19.9
97.02894	3.3
97.06532	4.9
103.05473	9.1
103.60651	1.8
105.04510	2.4
105.07020	6.4
106.04192	18.3
107.01352	2.1
107.04970	28.7
108.05730	2.1
109.06532	3.9
109.10168	2.4
111.04467	19.7
118.04195	3.0
119.04974	2.1
121.06517	32.4
121.10201	2.0
122.07283	3.1
123.04452	25.5
123.08112	2.8
125.02380	3.5
125.06002	9.5
127.03979	2.4
127.12294	3.4
131.04958	6.0
133.06422	2.7
134.03625	7.0
135.04414	16.8
136.05251	4.0
137.06013	9.0
139.03920	9.7
139.07588	4.4
140.04707	83.2
140.60272	1.8
141.05492	22.0
145.02905	2.2
148.05177	2.5
149.06009	43.9
151.02208	2.1
151.03914	3.3
151.07573	21.1
152.04785	1.8
153.05492	4.6
153.09091	10.8
155.07051	99.9
161.05969	2.5
162.01357	3.9
162.31834	1.9
163.02345	1.9
163.03882	8.1
163.07410	2.1
165.05498	2.8
165.09091	2.2
166.06355	2.0
167.03307	2.6
167.07069	39.5
173.08076	3.8
177.05484	29.7
179.01611	2.7
179.07094	5.3
180.07819	2.2
181.08630	27.3
190.00850	3.3
191.07094	9.7
192.07861	3.7
193.08615	2.1
195.04961	3.0
195.06578	31.3
203.79272	2.2
207.08923	4.3
208.01866	4.5
209.08113	100.0
211.09697	13.5
213.07574	4.6
223.02194	2.6
223.04262	66.0
227.09175	39.5
312.09027	17.7
330.09952	3.1
334.99023	2.0
365.05679	2.4
419.16818	3.3
557.33997	6.7
558.34845	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	558.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07383	6.3
55.05498	26.3
57.03430	25.0
57.07087	48.8
67.05518	32.6
67.41068	6.3
69.07060	18.7
69.44440	6.4
71.05006	9.6
71.08620	32.4
79.05499	30.6
81.03436	57.7
81.07060	43.7
83.04983	11.5
83.08634	35.4
85.02901	25.3
85.10190	14.5
89.06025	24.9
91.05486	32.3
93.07051	12.9
95.04978	31.0
95.08610	28.1
105.07043	26.7
107.08585	9.2
109.06519	6.4
109.10160	16.7
119.08529	16.3
121.10139	7.4
123.11720	6.3
129.07025	10.5
131.08536	13.0
133.08618	7.1
133.10133	10.9
143.48888	7.3
147.11734	7.0
149.09608	7.0
157.10172	12.9
169.58696	8.2
175.11275	14.4
193.12274	52.1
211.13344	65.9
267.15927	19.6
283.26331	11.2
284.26529	6.5
285.16940	78.9
313.27386	100.0
426.11398	7.1
465.35873	9.6
505.38635	14.7
523.39935	73.5
558.53381	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	9.6
57.03448	16.0
57.06831	2.0
57.07083	29.0
67.05526	17.1
69.07059	7.1
71.08639	21.8
71.11013	4.4
79.05502	9.7
81.02982	3.9
81.03429	59.3
81.06735	1.8
81.07076	20.9
83.04987	5.5
83.08632	19.7
85.10165	9.1
89.06007	2.9
91.05486	12.7
93.07058	5.1
95.04995	11.3
95.08622	17.0
97.02936	2.5
97.06567	2.7
97.10175	5.4
105.07049	11.5
107.04960	2.7
107.08617	3.8
109.06564	2.3
109.10170	6.5
111.08015	3.4
119.08574	9.0
121.10151	6.1
123.08082	2.3
129.06987	5.7
131.08597	7.5
133.06458	1.9
133.10124	3.9
147.08069	2.5
147.11726	4.9
149.09604	3.9
155.54906	1.9
157.10188	6.2
175.11243	7.8
177.37898	2.2
193.12267	20.1
249.14886	2.2
267.15945	100.0
296.18552	2.3
313.27396	82.1
315.33630	2.1
332.70590	2.3
505.38916	66.8
558.38690	4.2
559.13055	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	558.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21477	2.5
55.05506	8.2
55.25911	2.5
57.03431	7.2
57.07082	22.4
67.05512	21.5
69.07064	7.9
69.21099	24.4
71.04962	4.5
71.08634	16.1
77.16161	2.4
79.05496	11.3
81.03426	38.9
81.07063	21.2
83.04994	8.2
83.08623	21.7
85.02916	11.3
85.10175	8.4
89.06029	4.2
91.05490	13.3
93.07039	11.0
95.04980	14.8
95.08617	19.8
97.10169	7.3
105.07041	13.0
107.08599	7.6
109.10159	10.4
111.08070	7.0
113.06048	3.1
119.08595	11.6
121.10172	5.9
123.11725	2.5
124.73806	2.5
129.07005	3.6
131.08565	5.7
133.10132	4.2
138.10716	2.4
140.16272	2.4
142.07718	2.3
147.11694	7.0
149.09622	4.5
157.10161	9.1
175.11197	8.4
193.12251	29.6
211.13324	52.4
228.85422	2.3
267.15906	7.3
285.16946	39.6
313.27383	67.5
465.35565	8.1
505.38583	8.3
517.19904	2.9
523.39996	100.0
558.53448	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	559.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	0.8
70.70060	0.8
95.04975	0.5
111.04460	0.3
123.04411	0.9
125.02362	0.4
139.03896	0.8
141.05510	0.4
152.01056	0.8
153.01848	1.1
153.05487	2.1
153.06650	0.3
153.66179	0.3
155.08601	1.0
160.05212	0.5
161.05940	0.4
167.03415	28.4
169.05009	2.3
170.02176	0.6
171.04463	0.8
173.06036	1.3
173.97510	0.4
175.07526	0.6
179.03531	0.5
180.04193	0.6
181.04944	0.6
182.36441	0.3
183.08142	0.7
186.06934	0.8
187.07571	0.8
192.30257	0.4
197.05927	0.4
201.09108	4.1
211.07576	0.8
221.04289	0.4
225.09155	0.4
227.07208	0.4
229.08624	3.1
250.06216	0.7
251.07033	0.5
253.08809	0.4
257.08038	0.6
297.04047	2.0
298.04703	0.8
307.06058	0.7
310.04749	6.7
310.08234	0.7
311.05621	1.2
312.06256	2.1
319.05939	0.7
320.06833	0.9
321.07617	2.1
322.08310	1.0
323.05530	22.6
324.06354	0.7
325.07086	23.6
327.08636	0.7
337.07056	2.4
337.10867	1.1
338.07889	9.3
339.08527	0.6
340.09341	1.0
353.10226	36.0
369.12906	0.4
379.11887	0.5
397.12866	100.0
398.13242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.3
55.33290	0.2
61.56343	0.2
68.99796	0.3
70.67850	0.5
70.68224	0.4
86.31519	0.2
95.04955	0.2
128.06268	0.3
139.03947	0.3
141.07077	0.2
143.04924	0.4
143.08580	0.8
147.04430	0.5
152.01042	0.3
153.01834	2.1
153.05481	2.6
155.08612	0.3
161.06013	1.0
167.03419	25.2
170.02107	0.2
171.08086	0.7
173.06023	1.0
175.73837	0.2
179.03490	0.4
181.08614	2.8
183.08041	0.3
187.07524	0.4
189.05481	0.6
189.09117	0.7
194.36284	0.3
201.09137	0.8
202.09930	0.8
211.07539	0.7
213.05376	0.2
213.09207	0.2
229.05037	1.3
229.08589	0.4
237.05353	0.4
250.11006	0.2
257.04584	0.9
257.08182	0.4
265.04935	1.2
272.06790	2.9
279.06351	0.3
280.07657	0.2
293.04507	0.9
294.05429	0.5
295.06052	0.4
297.04034	0.3
297.07468	0.4
298.04846	0.5
300.06299	8.9
301.07098	0.3
308.06946	0.4
310.04758	2.7
311.05542	5.2
313.07098	0.6
321.03821	0.8
321.07526	0.3
322.04797	0.5
323.05478	1.2
324.06409	0.3
325.07092	9.0
326.04059	0.3
335.05490	0.4
335.09213	0.4
337.07205	1.6
338.07758	0.4
339.08893	0.4
341.06628	0.9
351.12326	0.6
353.10159	1.5
369.13367	17.0
379.11914	1.8
397.12869	100.0
398.13251	1.9
559.17914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99564	2.4
53.03934	7.4
54.38889	2.1
55.01865	10.7
55.05516	21.7
57.03440	4.3
57.07082	3.2
60.91113	2.4
62.22640	2.4
65.03949	4.0
67.05511	42.8
68.80683	2.6
69.07070	19.6
69.17879	10.2
69.18303	12.3
69.35738	2.7
71.02941	2.5
71.04979	5.4
78.40003	2.4
79.05499	35.1
81.03418	32.2
81.07063	44.8
81.66428	2.4
83.04974	6.1
83.08614	16.9
83.99435	2.4
85.06519	3.6
91.05482	41.3
93.07042	34.4
95.04970	14.2
95.08617	25.8
95.97791	2.4
97.06548	12.0
97.10172	9.2
98.21463	5.0
103.05499	3.0
105.07040	33.6
107.04967	11.6
107.08602	21.9
109.06525	6.4
109.10152	13.7
111.08109	3.9
115.05404	4.0
117.06987	14.3
119.08584	24.4
121.06538	8.0
121.10130	12.5
123.08120	3.6
123.11696	4.5
125.09634	7.8
128.06172	2.8
129.07019	9.4
131.08586	20.0
133.06508	3.9
133.10110	17.1
135.08055	7.5
135.11668	6.9
137.09586	3.4
142.07787	3.4
143.08556	6.1
145.06430	3.9
145.10143	16.4
146.03973	2.8
147.08067	7.3
147.11694	12.4
149.09612	10.0
155.08575	5.4
157.10132	10.7
159.11688	7.7
161.13277	8.0
163.11172	13.5
167.15881	2.6
169.10057	3.5
171.08041	2.9
171.11653	5.7
173.09607	4.0
173.11882	3.1
173.13297	4.3
175.11179	3.6
181.10110	3.2
185.13309	3.5
193.12320	10.6
195.11635	3.1
208.08910	3.3
221.09607	4.5
222.10385	4.7
225.12733	3.5
227.12799	7.2
235.07437	3.3
235.11264	3.3
249.09129	3.7
250.09866	21.3
251.10751	3.5
257.18921	3.6
263.10641	13.6
264.11450	7.8
265.12244	100.0
266.12836	5.4
267.15918	15.8
275.20117	25.5
277.08594	4.7
283.15320	3.1
293.21133	11.3
299.20047	5.0
301.08823	2.8
315.23087	3.2
333.24271	4.0
349.23761	6.8
397.12555	4.4
437.15726	2.7
449.30283	6.1
450.12146	3.8
452.14334	3.1
465.14719	11.0
467.31519	8.4
475.13260	7.8
480.16962	11.0
481.17667	3.8
483.15854	6.0
490.15314	4.6
493.14212	9.6
495.19629	6.1
498.17947	4.9
508.16769	18.6
513.20685	27.6
523.19012	19.8
523.34351	3.9
526.17438	7.3
541.20209	63.9
541.34998	29.3
559.20984	6.3
559.36353	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	559.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01868	0.8
55.05520	13.2
56.05040	1.3
57.03447	0.5
57.05815	1.4
57.59539	0.4
68.05029	1.8
69.03439	1.2
70.06596	2.4
70.93654	1.0
72.08163	100.0
73.08540	0.5
80.05009	0.9
81.03429	5.9
82.06608	0.7
83.04987	1.2
84.04514	13.7
84.08163	0.7
85.02920	2.7
86.09722	0.5
91.05491	0.9
93.03436	0.8
93.07044	0.4
94.06587	1.8
95.05011	0.6
96.04523	1.4
97.02897	2.4
98.06065	4.1
99.04465	0.5
105.07048	0.6
106.06592	0.8
108.04497	1.4
109.02879	3.2
110.06052	1.2
110.09708	1.1
111.04459	0.7
114.05527	0.5
118.06554	0.7
118.08658	5.6
119.08628	0.4
120.08164	0.8
122.06059	0.6
124.03919	0.5
125.06017	0.5
126.05539	4.8
127.03915	3.1
128.07104	1.0
130.05000	2.8
130.06595	0.9
131.04985	0.9
134.06044	1.0
136.07590	0.7
137.06004	0.6
137.10753	0.5
137.56866	0.4
138.05557	0.6
138.09166	4.4
140.07115	0.6
140.10728	0.9
142.04982	0.5
146.06070	0.6
147.11830	0.6
148.07597	3.4
150.05565	1.1
151.03937	2.0
152.07137	0.7
156.10263	1.5
160.09711	4.3
164.07066	2.8
166.08696	1.2
172.06085	0.8
173.13358	0.6
176.07104	7.0
179.07208	0.4
183.11435	1.1
184.09721	9.4
185.95441	0.4
191.14391	1.5
192.06577	4.6
192.07866	0.4
194.08228	1.9
196.06183	1.0
198.11205	0.5
200.09180	0.4
208.06061	0.9
210.07700	1.4
212.09291	0.7
220.06102	2.5
220.11795	3.0
226.10757	5.3
228.08878	0.6
229.11951	1.2
230.10362	1.5
237.12497	1.4
238.07144	4.8
244.11919	1.8
247.12885	0.8
249.12404	0.4
256.08264	1.7
262.12720	2.5
279.13583	0.5
280.02789	0.4
282.13538	0.5
289.13977	6.2
291.13580	1.1
294.36649	0.4
309.14539	3.6
310.13156	0.5
311.16376	0.7
327.15457	2.1
337.14035	1.4
345.16693	0.7
355.15030	32.5
356.13879	0.7
361.78677	0.5
373.16010	7.4
373.20404	0.5
374.14719	0.7
391.17169	11.7
425.15207	0.5
559.21765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.6
57.03441	1.7
67.78819	1.0
69.07058	5.0
79.05445	1.2
83.08629	2.5
95.08619	1.9
97.10152	1.4
99.58158	1.1
107.08614	1.4
116.78182	1.0
121.10100	1.3
214.64981	1.1
249.11005	26.6
291.19165	1.2
305.13644	5.2
341.61249	1.2
485.23538	1.5
559.23901	5.3
559.36060	100.0
560.36304	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	559.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	2.1
53.00315	4.5
53.03952	6.2
55.01878	9.1
55.05263	2.8
55.05519	46.6
55.88256	1.5
56.21363	1.4
56.96563	2.1
57.03434	6.7
57.07068	5.4
59.04999	3.1
65.03947	5.9
67.05515	83.8
69.03431	5.7
69.07071	23.9
69.32413	2.5
69.32811	12.4
71.05000	3.9
71.08626	4.1
79.05502	63.6
81.03432	7.2
81.07069	77.5
83.04982	8.5
83.08627	25.3
85.02916	3.2
85.06577	3.9
88.21514	1.7
91.03951	1.6
91.05492	60.6
93.06467	3.4
93.07057	65.0
93.07632	3.7
95.04972	12.3
95.08615	42.4
97.02911	6.4
97.06554	6.3
97.10185	23.3
98.98457	2.4
99.00811	8.3
99.04455	2.5
99.08125	3.3
103.05486	2.1
105.07043	48.7
107.04979	9.0
107.08606	45.6
107.09294	3.0
109.02877	11.1
109.06528	6.1
109.10165	24.9
111.04472	4.0
111.08102	6.2
115.03932	2.2
115.05447	3.2
117.07028	19.6
119.04979	1.7
119.08604	31.0
121.06517	6.7
121.10155	23.9
123.08103	4.8
123.11732	6.2
125.09648	19.7
128.06241	2.3
129.07043	11.3
131.08589	29.4
133.06578	3.9
133.10155	47.4
135.08070	5.8
135.11722	18.0
137.09634	2.6
139.07535	1.6
141.06995	2.6
143.08575	17.0
145.06549	3.9
145.10133	22.0
147.08049	2.3
147.11699	17.4
149.09650	3.0
149.13252	9.7
151.11166	8.8
153.09125	3.4
155.08604	7.8
157.10146	10.4
159.08064	3.4
159.11685	14.2
161.09639	15.5
161.13272	11.6
163.11244	5.9
163.14825	2.8
169.10153	6.9
171.08063	5.0
171.10477	2.0
171.11702	10.6
173.09695	2.9
173.13300	9.8
175.11197	2.2
175.14903	3.2
177.12798	2.2
179.08795	2.0
179.10727	6.3
179.14275	1.6
181.10141	4.0
181.12250	2.6
183.11752	6.8
185.09795	1.9
185.13321	7.2
187.11211	2.1
187.14845	6.9
187.26730	1.5
189.09245	10.3
189.11290	7.7
189.12772	2.0
191.10796	2.5
191.14255	2.2
193.10297	1.8
195.11807	2.6
197.09691	1.9
197.13249	4.9
199.11150	2.9
199.14891	4.3
201.16367	2.4
207.10220	3.1
209.13277	2.4
211.14879	2.4
221.13225	1.9
223.14819	2.0
225.11195	8.4
227.12837	9.3
235.14851	2.0
243.21155	4.7
259.20642	4.7
261.22205	13.1
271.20828	2.0
277.21701	9.0
281.13873	10.5
283.15405	2.3
287.23663	8.4
289.21634	2.2
291.19601	2.6
297.22122	3.3
299.20123	2.7
299.25912	6.6
313.21768	3.6
315.23230	23.6
331.22745	2.4
333.24551	2.4
335.25568	1.9
395.33060	1.9
397.13025	2.3
403.30206	3.0
421.31128	9.5
429.12012	2.3
439.32275	7.5
449.30545	11.8
457.33313	4.4
467.31586	27.8
485.32736	17.8
495.34616	3.9
513.35876	21.2
515.37177	2.3
523.34583	4.0
531.36810	19.1
541.35266	53.6
559.36322	100.0
560.36633	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	559.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	3.2
53.03955	7.6
55.01878	9.4
55.05517	46.5
57.03434	4.4
57.07082	3.5
57.13890	1.3
65.03934	4.2
67.05512	71.0
68.04124	1.4
69.03436	5.0
69.07075	21.6
70.50194	4.6
71.04984	4.2
71.08627	2.2
77.03895	1.5
77.75559	1.2
79.05501	60.7
79.53656	1.2
81.03420	5.5
81.07066	71.0
83.04978	7.8
83.08631	26.0
85.06544	3.5
85.11115	1.5
90.04959	1.4
91.05489	52.8
93.06466	3.2
93.07055	63.9
95.04979	10.9
95.08617	39.9
97.02898	3.4
97.06524	7.0
97.10180	23.4
99.00830	9.5
99.08087	2.7
103.05493	2.7
105.07046	40.9
107.04956	8.9
107.08609	40.1
109.02872	11.3
109.06516	6.1
109.09442	2.4
109.10164	22.8
111.04438	4.1
111.08090	8.1
115.03898	1.7
115.05505	2.1
117.07034	20.2
119.04934	1.6
119.08603	35.4
119.09451	2.0
121.06529	7.3
121.10159	27.1
123.04415	2.8
123.08073	3.2
123.11718	4.7
125.09643	16.8
128.06250	2.7
129.07030	9.7
131.08585	24.1
131.97101	1.7
133.06506	4.2
133.10152	43.6
135.08084	5.6
135.11707	22.0
137.05942	1.5
137.09589	2.2
141.07002	3.7
142.07811	2.8
143.08566	13.5
144.09399	2.0
145.06488	3.8
145.10115	21.1
147.08038	4.5
147.11702	12.0
149.09650	3.9
149.13286	9.4
151.11191	10.6
153.07053	2.8
153.09187	3.1
155.08580	5.6
157.10120	11.0
159.08101	1.5
159.11705	14.5
161.09654	15.4
161.13290	9.2
163.11220	3.9
163.14893	2.3
169.10138	8.8
171.08104	5.1
171.11703	9.2
173.09613	2.5
173.13297	12.8
175.11261	2.3
175.14839	4.1
177.12669	1.8
179.10652	8.6
181.10109	3.2
183.11726	6.6
185.09641	2.4
185.13303	9.8
187.11234	1.9
187.14871	5.1
189.09128	11.1
189.11197	6.9
189.12776	2.6
191.10674	1.7
193.10184	1.9
195.11716	2.9
197.11816	2.7
197.13335	5.8
199.11246	1.5
199.14848	5.4
201.12721	1.7
201.16563	1.9
207.10242	3.0
209.13295	3.0
211.14764	1.7
213.16452	3.1
221.13364	1.8
223.14920	2.0
225.11227	12.5
227.12758	8.6
227.18011	2.1
237.12718	1.8
239.14568	1.5
241.19499	1.7
243.12440	2.1
243.21222	3.5
251.14221	1.4
251.17580	1.6
259.20682	4.2
261.22214	15.1
263.20227	1.4
269.19077	1.8
273.78888	1.5
277.21664	5.2
281.13773	9.3
281.19028	1.8
285.22235	3.2
287.23660	7.1
295.20432	1.7
297.22018	2.1
299.20245	2.5
313.21539	3.2
315.23169	20.7
317.24777	2.4
337.21454	2.0
403.30029	1.8
421.31293	9.8
423.32291	2.1
431.29489	2.4
439.31995	8.2
449.30499	13.2
457.33176	4.5
467.31540	25.1
475.34018	1.9
485.32632	16.0
495.34283	2.8
513.35876	19.4
515.37097	3.4
523.34045	4.5
527.37286	2.1
531.36890	16.1
541.35315	51.7
559.36310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.0
53.03947	8.6
55.01866	6.7
55.05516	44.3
57.03426	6.2
57.07066	2.2
66.22727	1.4
67.05511	63.8
69.03409	4.3
69.07083	18.6
71.04994	3.7
71.08640	2.1
79.05499	60.3
81.03419	4.4
81.07063	64.0
81.54323	1.4
83.04977	7.1
83.08627	21.8
85.06567	4.0
91.05492	44.2
93.07058	54.7
95.04977	7.6
95.08047	2.6
95.08615	37.3
97.02879	3.5
97.06516	5.8
97.10171	23.3
99.00813	7.0
102.66113	1.6
103.05491	2.8
105.06380	3.1
105.07043	39.8
107.04947	5.3
107.08599	36.1
109.02873	9.4
109.06504	6.5
109.10163	22.5
111.04462	5.1
111.08103	4.7
115.05463	4.6
117.07030	18.5
119.07790	2.4
119.08588	27.8
121.06514	6.4
121.10156	20.9
123.08076	3.9
123.11716	6.5
125.09631	16.9
128.06230	4.3
129.06990	10.3
131.08575	27.7
133.06468	5.4
133.10144	35.4
135.08072	5.4
135.11693	17.9
137.09627	3.6
137.13258	2.1
141.07043	3.5
142.07791	3.1
143.08607	18.9
145.06473	3.5
145.10124	18.2
147.08066	3.1
147.11705	10.6
149.09631	2.9
149.13297	9.9
151.07550	1.7
151.11212	8.1
153.09116	4.0
153.12738	3.0
155.08583	6.0
157.06517	1.7
157.10172	10.4
159.08052	3.7
159.11703	15.4
161.09642	13.5
161.13269	10.7
163.11143	3.8
163.14830	2.6
167.08597	3.1
169.10184	8.0
171.08098	4.8
171.11681	11.2
173.09642	4.5
173.13194	10.8
175.11186	1.9
175.14825	4.0
177.12656	2.8
179.10655	4.1
181.10095	3.4
181.12216	2.2
183.11710	10.3
185.13264	8.9
187.11198	2.8
187.14821	4.9
189.09232	9.0
189.11110	10.0
189.16367	1.9
195.11630	1.6
197.09555	1.6
197.13252	5.6
199.11246	2.7
199.14857	7.1
201.12711	2.7
201.16452	2.2
211.14893	3.5
213.16411	3.9
213.35431	1.8
221.13390	2.2
223.14838	2.5
225.11150	8.4
225.16328	2.7
227.12778	6.6
229.46881	1.5
235.14615	2.3
243.21156	2.2
253.19682	2.1
259.20630	6.2
261.22113	12.8
269.22668	2.7
271.20535	2.3
277.21667	6.6
281.13904	12.8
287.23602	8.2
289.21600	2.1
291.19711	1.9
297.22113	4.3
299.20151	2.5
299.23462	1.8
300.24115	1.6
311.20132	2.1
313.21497	3.9
315.23260	28.9
317.21149	2.0
317.24689	1.8
333.24268	1.8
393.31314	1.8
403.30032	4.2
421.31131	10.1
423.32803	2.8
431.29465	3.6
439.32275	10.6
449.30524	13.4
457.33029	4.2
467.31589	30.3
485.32590	20.6
495.35107	2.6
513.35754	24.3
515.37134	6.1
523.34204	3.8
527.37085	2.1
531.36859	24.2
541.35260	58.9
542.35413	2.6
559.36279	100.0
560.36792	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01875	7.9
55.05516	58.2
56.38823	2.7
56.96573	5.3
57.03430	9.5
57.07084	17.4
59.05010	3.2
61.02935	3.4
65.03931	6.4
67.05510	88.4
69.03424	7.5
69.07074	30.0
69.75766	15.2
71.04990	7.0
71.08638	6.0
73.02929	4.2
75.76118	2.6
79.05499	67.8
81.03413	10.6
81.07063	80.5
82.16261	2.5
83.04990	11.1
83.08621	28.2
85.02917	4.5
85.06522	2.8
85.10183	4.2
91.03989	3.8
91.04910	3.6
91.05483	65.6
91.06340	3.3
92.76212	2.3
93.07051	71.3
95.04970	9.2
95.08613	49.2
97.02898	5.6
97.06542	9.5
97.10172	27.7
98.98463	10.3
99.00809	5.6
99.08047	3.6
103.05448	4.3
105.07043	51.6
107.04967	7.7
107.08610	52.3
109.02879	15.5
109.06548	6.8
109.10157	27.2
111.04434	4.8
111.08116	6.5
115.05459	3.5
117.07042	25.6
119.08584	41.0
121.06532	5.7
121.10141	33.3
123.08023	3.7
123.11703	7.3
125.09643	22.2
128.06219	5.5
129.07047	14.3
131.08594	35.6
133.10135	44.9
135.08073	6.0
135.11705	26.9
139.07588	2.7
141.06975	3.1
142.07767	3.8
143.08551	21.9
145.06487	6.1
145.10138	33.6
147.08072	4.9
147.11679	17.0
149.09679	3.5
149.13300	9.0
151.11191	7.7
153.12744	3.0
155.01062	7.5
155.08588	7.6
157.10136	11.4
159.08099	5.9
159.11703	19.3
161.09641	15.3
161.13280	9.4
163.11182	8.2
163.14897	2.9
166.63509	2.5
169.10124	8.9
171.08115	5.4
171.11728	11.8
173.13290	11.6
175.14819	6.8
179.10712	6.5
181.10185	4.9
181.12283	3.9
183.11751	11.6
185.09660	2.7
185.13286	8.9
187.11185	4.6
187.14784	6.4
189.09148	8.0
189.11253	7.6
195.11766	6.8
197.11702	2.7
197.13347	7.0
199.11185	3.4
199.14799	6.2
201.16460	3.3
209.13353	3.9
209.57364	2.3
211.14839	3.9
215.14406	4.0
218.38290	2.8
221.13219	3.0
223.14922	4.8
225.11253	8.4
227.12724	13.2
259.20590	6.9
261.22104	14.2
269.10760	4.8
273.18710	3.2
273.22073	3.0
275.20224	5.3
277.21719	6.8
281.13983	10.8
283.15515	4.0
287.23758	9.6
297.22165	3.8
299.20163	4.9
299.25790	42.9
313.21643	7.0
315.23132	25.1
317.17908	7.3
317.24649	3.8
327.23270	3.1
333.24698	3.7
341.21231	3.2
403.30069	4.0
411.12411	2.9
421.30963	15.0
423.32507	3.1
429.12247	4.4
431.29977	4.8
439.32184	8.7
449.30630	16.1
454.21237	3.5
457.33286	7.5
467.31598	33.7
485.32513	24.2
513.35870	22.9
515.37549	4.7
523.34155	6.6
531.36884	19.0
541.35321	78.7
541.43243	5.7
559.36334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.0
55.01863	4.5
55.05522	31.2
57.03441	15.1
57.07047	5.6
65.03937	5.6
65.47897	2.7
67.05510	98.1
67.05872	4.8
69.07073	22.4
71.04985	4.9
73.06579	4.4
78.13887	2.6
79.05062	5.6
79.05499	93.5
81.03412	10.5
81.07065	94.7
83.04984	17.7
83.08620	10.4
85.06552	4.2
91.05491	77.3
93.07050	100.0
95.04968	26.7
95.08617	59.1
97.06501	6.1
97.10160	8.2
98.21507	8.3
101.46502	3.0
105.04523	6.9
105.07037	51.7
107.04958	5.3
107.08600	39.6
109.06511	7.9
109.10162	22.9
111.08068	4.3
117.07008	18.5
119.07808	3.5
119.08592	41.4
121.06494	3.0
121.10153	21.4
123.08079	8.0
123.11692	6.8
128.06223	4.5
129.07027	20.8
131.08569	15.2
133.10153	20.3
135.08028	3.7
135.11705	17.2
141.07030	3.3
143.08559	13.9
145.10165	21.7
147.11705	39.4
149.13173	7.0
153.98050	2.7
155.08575	3.1
157.10165	3.4
159.11694	14.7
161.13213	15.6
163.11107	4.2
163.14799	5.5
169.10127	5.2
171.11731	24.1
173.13304	5.4
179.14310	3.0
189.12766	9.6
202.07808	3.5
207.13863	24.3
220.62540	3.0
229.52792	3.4
236.28319	2.8
261.22186	8.3
279.15955	5.2
281.17493	40.2
335.25827	44.5
482.27429	3.1
537.83502	3.2
541.39014	65.7
542.39240	3.1
559.40289	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	560.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82476	1.8
53.03949	6.8
55.01873	2.6
55.05519	24.6
57.03434	4.1
57.07071	3.7
61.02936	2.6
65.03939	2.8
67.05511	49.4
68.81914	2.2
69.03430	9.7
69.07079	24.0
69.33784	15.3
71.04996	3.4
73.02956	2.1
73.06578	1.7
79.05501	83.8
80.05830	2.3
81.03428	16.1
81.06580	3.0
81.07066	58.9
83.04986	4.8
83.08629	14.2
85.02912	28.5
85.06565	2.8
87.00842	15.0
87.04443	2.1
91.05492	42.8
93.07053	100.0
94.07414	2.7
95.04986	11.9
95.08616	39.6
97.02892	12.9
97.06539	7.0
97.10169	8.7
99.04503	4.0
100.84191	2.0
105.01883	22.7
105.04551	2.1
105.07045	36.6
105.07681	3.3
107.08607	56.6
107.09301	4.2
109.02901	6.9
109.06512	3.3
109.10172	12.8
110.30306	2.1
111.08112	2.6
116.93137	1.9
117.07029	20.5
119.08583	24.7
121.10155	54.8
123.08116	2.8
123.11733	4.0
125.09636	5.1
127.03931	27.2
129.07018	9.2
131.08586	22.1
133.09236	1.6
133.10143	41.9
135.08061	2.3
135.11700	57.4
139.11172	5.5
143.08542	6.2
145.04971	12.2
145.10104	15.0
147.02826	1.9
147.08095	2.1
147.11670	10.8
149.09637	2.8
149.13277	31.3
157.10149	6.6
159.02933	3.0
159.11710	41.3
161.13284	4.9
163.03920	2.1
163.11212	4.7
163.14815	4.6
171.11743	6.3
173.13245	20.2
175.14839	7.3
177.12843	3.5
181.12265	2.9
185.13268	5.6
189.04036	2.5
193.12250	2.9
193.15865	2.3
195.13802	3.5
199.14806	7.5
213.03915	2.1
213.16414	2.9
221.15450	3.1
231.05020	8.6
233.67572	2.0
235.16969	2.4
241.19521	10.7
251.10847	2.8
259.20596	19.0
267.15860	2.7
276.20361	2.4
277.21655	76.6
293.64731	2.3
367.23035	2.9
437.83066	2.3
542.35480	7.0
560.36682	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	560.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.6
55.01858	10.5
55.05510	48.0
57.03428	19.7
65.03939	7.5
67.05510	54.9
68.86884	6.6
69.03435	8.1
69.07066	22.1
71.04977	11.2
71.55045	7.8
79.05505	58.5
79.51572	7.2
80.05834	6.3
81.03421	100.0
81.07061	46.5
82.07330	8.0
83.01324	8.7
83.04967	22.6
83.08624	49.4
85.02885	9.5
86.09691	20.3
91.05486	39.7
92.05796	9.6
93.07049	47.1
95.04979	34.6
95.08597	29.6
97.06518	9.2
97.10168	29.7
101.95277	7.5
104.10738	54.8
105.07026	45.8
106.07349	7.8
107.04978	19.5
107.08572	30.6
108.30096	6.8
109.06537	14.5
109.10168	17.6
111.04440	8.7
111.08066	7.2
117.07018	14.7
118.86710	6.8
119.04925	6.2
119.08596	29.4
121.06495	10.0
121.10129	20.7
123.08081	17.6
125.00004	15.6
125.09643	11.0
129.06993	18.8
131.08553	20.8
133.06541	9.5
133.10155	11.9
135.11697	23.0
142.93503	6.1
145.10098	30.1
147.04416	9.4
147.08083	10.1
147.11723	14.3
149.09637	10.3
157.10075	10.4
158.10448	9.0
159.11644	9.6
163.11209	33.0
169.10049	9.5
175.11230	10.3
184.07338	50.7
189.11281	7.7
193.12260	23.4
209.11688	7.1
227.12764	16.1
250.09906	7.2
265.12079	11.7
266.12659	17.8
267.15927	66.8
268.16345	8.6
275.10275	7.1
275.20001	13.4
276.20343	8.4
283.15393	49.2
326.08066	7.6
383.22098	33.3
398.12509	8.6
401.23001	14.2
457.25735	32.5
475.26950	96.0
512.15869	7.9
542.35406	27.6
543.21667	7.7
560.22229	7.6
560.35815	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	560.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55687	2.9
53.03940	7.8
55.01867	10.4
55.05515	21.1
57.03440	21.3
57.07076	3.7
67.05233	3.6
67.05517	38.8
69.03423	3.8
69.07058	8.2
70.12744	7.2
70.13160	8.8
71.04967	4.2
79.05499	37.7
81.03423	81.2
81.07064	34.9
83.01330	5.6
83.04984	12.5
83.08624	29.9
85.02897	4.4
85.06541	3.8
90.49577	3.0
91.05489	36.1
93.07050	32.3
95.04980	30.7
95.08604	19.3
97.02914	4.6
97.06544	7.6
97.10148	10.2
105.07041	26.9
107.04970	15.3
107.08602	20.0
109.06554	10.6
109.10181	4.9
111.04444	6.3
111.08089	6.2
117.07019	7.3
119.08592	20.0
121.06485	5.4
121.10152	10.3
123.08075	9.4
125.09637	8.6
127.24049	2.9
129.06987	10.4
131.08565	10.5
133.06422	4.6
133.10129	11.2
135.08009	5.1
135.11713	8.8
142.07790	4.1
143.08560	6.2
145.10149	17.8
147.04472	4.3
147.08049	5.5
147.11693	12.7
149.09612	10.1
157.10153	7.1
159.11734	4.9
160.05246	2.8
161.05983	3.2
163.11159	18.9
169.10106	4.6
173.09572	3.1
175.11180	8.7
189.11168	3.5
191.10695	4.6
193.12274	22.4
211.13367	3.3
216.47673	3.2
227.12895	8.8
267.15912	69.8
275.20090	4.6
276.20389	6.7
283.15393	40.4
286.84030	2.7
349.23828	4.5
365.20956	7.1
383.22064	31.4
401.23157	14.4
409.28488	3.9
439.25143	3.5
457.25937	35.7
461.52423	3.0
475.26913	100.0
480.95630	3.2
493.27832	7.8
505.36197	3.3
542.35535	10.7
560.36530	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	560.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.5
57.03441	5.0
57.07080	28.1
67.05508	59.6
69.07069	9.1
69.61031	4.4
69.61449	15.1
71.05013	14.7
71.08638	17.6
79.05496	8.5
80.59594	2.5
81.07058	25.3
83.08614	12.5
85.01913	2.6
85.10178	15.1
91.05473	7.5
93.07042	8.7
95.08614	22.3
107.08603	7.4
109.10172	44.1
119.08596	9.2
123.11758	4.0
133.41312	2.5
135.11720	7.6
137.09621	8.4
153.10698	3.6
163.11327	3.2
173.11829	7.6
229.88849	2.6
239.23619	3.8
243.16124	3.3
255.15863	3.0
287.18530	19.0
307.98209	2.7
313.27386	27.2
348.89316	2.9
452.91171	2.7
467.37430	100.0
481.38849	4.1
525.41632	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.4
67.05514	33.2
69.03422	4.8
69.07074	8.7
70.15780	14.1
70.16120	6.3
71.87756	3.3
78.54642	3.8
79.05500	26.0
81.03430	12.4
81.07069	29.7
83.04991	5.3
83.08625	8.8
91.05494	25.4
93.07046	23.5
95.04963	7.9
95.08601	19.3
97.06534	5.4
97.10174	9.4
98.21438	4.9
105.07039	21.0
107.08613	15.6
109.10160	11.0
114.14725	3.7
117.07015	10.7
119.08628	18.4
121.06553	4.3
121.10143	8.4
125.09628	5.7
129.07002	4.5
131.08586	16.0
133.10164	13.2
135.11667	6.5
143.08606	5.5
145.10158	10.6
147.11728	9.0
157.10139	10.8
159.11761	5.7
161.09554	4.0
163.11211	3.7
171.11749	4.1
183.11777	5.4
187.90746	3.7
204.09415	6.2
207.08063	9.5
208.08824	7.2
209.09641	7.5
218.07291	9.4
219.08078	53.8
219.11658	9.6
220.08980	3.9
221.09642	5.9
222.10429	21.5
231.07695	4.4
232.08795	4.8
233.09663	32.9
234.10416	22.8
235.07544	7.1
237.12811	22.8
245.09628	5.9
247.03700	3.9
247.07596	66.6
248.08376	79.3
249.09113	11.6
250.09883	25.0
251.10782	25.1
261.09180	11.1
262.09937	100.0
263.10696	52.1
265.12250	81.0
266.12994	31.6
279.13934	4.4
315.23135	6.7
393.00748	4.0
451.32227	5.7
469.33154	7.0
481.18161	7.4
483.15924	10.8
498.18723	4.9
511.22665	6.6
513.13702	6.9
513.20685	86.1
525.35632	6.6
528.22998	98.5
543.21326	7.2
543.36981	25.1
561.38379	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05503	2.5
56.96571	0.7
57.07078	1.3
60.75507	0.6
61.15059	0.7
65.03930	1.0
67.05508	4.3
67.39454	0.6
69.03433	10.0
69.07073	6.3
70.06588	1.4
71.04985	2.2
71.54641	0.9
72.08144	2.1
73.02933	0.8
74.23282	0.6
79.05492	5.4
81.03416	1.8
81.07062	5.2
83.04974	2.6
83.08614	2.0
84.04515	0.8
85.02907	6.3
85.06536	2.5
86.09719	1.9
91.05486	12.5
93.07056	6.8
95.04979	1.8
95.08617	5.2
97.02895	1.3
97.06526	1.5
98.97570	1.8
99.04444	1.6
99.08119	0.8
103.05476	1.5
105.07031	17.9
107.04921	0.7
107.08601	18.1
109.06497	3.3
109.10152	2.3
111.08087	1.8
115.05457	1.5
116.06240	1.7
117.07036	5.4
119.08586	17.9
120.82814	0.6
121.06499	2.0
121.09321	1.1
121.10159	15.7
123.08086	3.2
123.11671	1.2
125.09630	4.2
127.03919	1.3
128.06227	1.2
129.07021	5.0
129.10152	0.7
130.07782	2.2
131.08575	24.5
133.10147	13.2
135.08067	9.2
135.11732	3.0
137.05992	0.9
140.07072	0.8
141.06950	0.7
142.07774	1.3
143.08562	10.3
144.09329	2.6
145.10121	16.1
147.08073	0.9
147.11710	9.6
149.05956	0.7
149.09624	8.2
149.13269	9.6
151.07530	0.8
153.09038	0.9
156.09384	1.0
158.10918	11.5
161.09644	1.1
163.11211	2.4
163.14864	1.7
165.09132	0.7
167.10651	1.1
167.14236	0.8
171.11693	0.6
173.13277	29.1
175.14835	9.7
176.12123	0.6
187.70779	0.6
191.10773	3.7
191.14320	100.0
192.14758	1.4
193.01762	0.6
202.05995	1.0
209.11749	2.6
209.15355	12.1
227.12695	1.4
335.18518	1.3
337.14233	0.7
351.11066	0.8
353.19659	2.5
365.12216	1.4
399.14120	1.3
543.32703	0.9
561.19495	16.4
561.33716	2.2
562.20209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25221	0.7
57.03419	0.8
57.07078	2.8
63.03863	0.9
67.05500	2.0
69.07073	1.1
71.08627	2.3
79.05495	0.9
81.07066	2.5
82.37003	0.7
83.08627	0.8
85.10143	0.8
93.07038	2.0
95.08614	2.7
102.57130	0.7
109.10200	0.7
118.03923	0.8
135.11668	0.9
163.11214	1.7
163.53488	0.8
195.56741	0.8
249.11018	17.6
249.13353	1.1
305.13629	5.9
313.27771	0.9
328.69702	0.8
390.34116	0.8
469.49432	0.8
542.96509	0.8
561.37689	100.0
567.10010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	3.3
53.03936	7.6
55.01865	11.4
55.04832	2.8
55.05303	2.3
55.05515	36.8
55.75455	3.0
56.97309	3.0
57.03434	14.0
57.07089	6.0
65.03933	3.6
67.05179	5.9
67.05511	100.0
69.03433	5.0
69.07076	24.3
69.96351	14.3
71.05023	7.1
77.03902	4.8
79.05500	83.4
79.05960	4.3
81.03420	14.8
81.07065	89.6
83.04985	11.4
83.08633	20.6
91.05494	61.9
93.07054	96.2
95.05001	14.7
95.08619	79.8
97.02895	3.7
97.06544	14.5
97.10168	11.6
99.04461	4.1
99.32391	3.1
103.91093	2.9
105.07041	43.2
107.04955	10.9
107.08606	59.0
109.06518	5.9
109.10172	35.4
111.04485	5.9
111.08067	5.1
117.07027	21.7
119.08604	36.7
121.06499	8.0
121.10155	52.4
123.08075	6.0
123.11723	10.4
125.09629	13.0
129.07056	5.3
130.07768	3.8
131.08577	29.6
133.10143	26.6
135.11688	42.3
137.09532	2.7
137.13258	4.5
143.08562	8.7
145.10149	42.6
147.08022	6.8
147.11746	15.5
149.09637	8.5
149.13261	11.1
151.11218	5.5
155.08545	6.4
157.10165	7.8
159.11723	16.3
161.13275	9.2
163.11200	46.2
163.14798	5.4
165.12805	3.1
169.10147	3.0
171.11719	5.6
173.09659	5.2
173.11893	4.3
173.13298	11.8
175.11272	3.5
175.14833	4.7
181.12274	9.4
183.11543	3.3
185.13234	7.6
187.14798	4.1
189.11224	5.3
191.10541	4.0
193.12238	3.8
208.53825	2.9
209.11720	8.3
227.12799	77.1
243.21141	5.1
245.14110	3.5
247.69009	3.0
261.22122	28.9
273.21793	3.4
275.20166	3.5
283.15414	28.7
301.21570	3.6
315.23361	4.2
317.24637	10.8
335.25836	62.0
386.81711	3.6
433.31030	5.4
451.31943	10.8
469.33197	9.6
487.33923	8.6
515.37115	3.7
525.35681	10.4
543.36755	72.9
561.37958	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01867	4.8
55.05519	23.1
57.03438	9.1
57.07085	4.6
65.03949	4.5
67.05508	70.6
67.23850	2.2
69.07075	17.7
70.98998	6.1
71.04996	6.2
71.08624	3.6
79.05496	59.9
80.49900	2.4
81.03420	5.5
81.07059	69.1
83.04982	7.2
83.08629	14.1
85.06577	2.2
91.05475	32.8
93.07051	80.1
95.04968	12.6
95.08615	71.3
97.02908	4.1
97.06541	6.5
97.10192	4.5
99.04505	2.9
99.08091	4.0
100.96122	2.4
105.07040	26.8
107.04965	9.7
107.08601	50.0
107.09299	3.9
109.06560	4.1
109.10162	26.1
111.08065	4.3
117.07034	12.6
119.08588	25.6
121.06531	5.1
121.10155	29.6
123.11730	6.8
125.09698	3.4
129.07013	3.5
131.08543	15.2
131.85887	2.2
133.06476	2.5
133.10139	14.3
135.08061	2.7
135.11711	53.9
138.67229	2.2
143.08606	2.7
145.10153	28.2
147.11671	3.3
149.13258	7.1
151.11110	3.1
157.10159	4.0
159.11714	8.8
161.13319	8.3
163.11192	56.4
173.13251	5.2
175.14951	2.4
175.78923	2.3
177.65813	2.1
179.14285	4.3
181.12260	9.1
187.14838	2.7
209.11667	3.0
227.12791	100.0
243.21210	7.2
261.22159	32.8
277.21509	6.8
283.15372	34.1
286.23752	2.6
317.24744	10.3
335.25806	76.7
336.81592	3.1
391.52164	2.4
400.24695	2.7
469.32910	4.5
487.34134	2.3
543.29327	4.1
543.36957	42.8
561.38135	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01868	4.3
55.05515	17.2
57.03431	7.2
57.07069	5.9
65.03947	2.2
67.05508	56.9
69.03406	1.8
69.07072	15.6
69.38829	12.4
71.04982	3.3
79.05495	45.0
81.03419	3.4
81.07059	57.2
83.04976	6.1
83.08285	1.2
83.08633	11.8
85.06519	2.2
91.05478	23.5
93.07048	68.0
95.04974	9.2
95.08611	62.7
95.23275	1.5
97.02886	5.0
97.06516	5.5
97.10164	3.8
98.21568	2.8
99.04429	3.9
99.08090	2.3
103.05442	2.9
105.04516	1.6
105.07042	19.2
107.04964	10.3
107.08601	42.6
109.06496	2.8
109.10156	19.5
111.04424	2.0
111.08041	1.8
113.06049	1.6
117.07044	11.0
119.08579	18.2
121.06534	7.3
121.10154	25.1
123.11713	6.4
125.09623	2.6
130.07779	1.8
131.08582	9.5
133.10164	11.8
134.39926	1.5
135.08055	3.2
135.10687	2.9
135.11699	52.8
137.13232	2.0
143.08565	2.3
145.10135	29.9
147.11667	6.5
149.13254	5.2
153.12741	2.5
157.10165	2.8
158.80173	1.6
159.11703	6.8
161.09589	1.6
161.13258	4.8
163.11191	49.2
163.14845	4.3
173.09718	1.5
173.13254	5.4
174.83199	1.4
175.14809	1.7
181.12248	12.0
187.14833	2.7
190.76826	1.5
209.11638	2.7
227.12790	100.0
243.21056	4.8
261.22174	21.4
277.21698	2.4
279.88077	1.7
283.15408	39.7
284.87540	1.7
299.23685	1.7
317.24649	8.9
335.25836	54.8
335.29868	2.7
452.39819	1.7
469.32715	3.6
543.36975	33.7
561.37854	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	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.4
55.01860	8.1
55.05297	2.9
55.05516	31.5
57.03456	13.2
57.07075	3.7
65.03946	4.9
67.05509	86.3
67.05871	4.7
69.03426	3.9
69.07072	30.6
69.96231	10.9
71.04987	7.5
77.03986	3.1
77.76070	2.4
79.05061	4.6
79.05499	83.3
81.03424	7.1
81.07061	92.1
83.04985	12.0
83.08631	22.3
84.33163	2.5
85.06529	3.5
91.05489	53.8
91.33447	2.5
93.07053	100.0
95.04989	14.4
95.08616	86.1
97.02893	6.1
97.06538	7.9
97.10157	11.1
99.04453	4.3
99.30665	2.6
103.05443	2.5
105.07037	43.9
107.04959	11.8
107.07881	2.9
107.08604	60.2
109.06533	4.8
109.10157	30.2
109.73627	3.0
111.04439	4.3
111.08090	3.3
111.11705	2.6
117.07018	25.4
119.08578	36.6
121.06518	8.0
121.10155	47.5
123.08049	3.2
123.11684	9.1
125.05952	2.9
125.09637	6.8
129.06990	7.5
130.07758	3.9
130.92644	2.4
131.08572	27.8
133.10139	17.9
135.08051	5.3
135.11697	62.6
137.09656	3.9
137.13260	4.2
139.07509	3.0
139.11229	5.0
143.08578	7.1
145.09039	4.2
145.10124	46.7
147.11661	11.6
149.09645	4.6
149.13275	10.7
153.12746	4.1
155.08536	4.6
157.10101	4.5
159.08087	3.0
159.11708	12.0
161.09686	3.9
161.13216	5.5
163.11217	65.5
163.14809	6.5
169.10234	3.1
171.11725	5.4
173.09647	5.3
173.11835	3.7
173.13260	9.3
175.11198	3.4
175.14731	3.7
181.12213	13.6
183.11885	3.3
185.13297	4.8
191.10715	5.7
193.12164	3.1
209.11714	12.7
227.10524	4.8
227.12805	98.1
243.21066	7.4
245.13922	16.8
259.20624	4.5
261.22147	25.9
265.14368	5.2
273.21930	3.2
280.94052	2.9
283.15399	43.7
301.21506	3.0
317.24710	10.9
335.25839	54.8
350.27545	2.9
433.31113	5.3
451.31738	8.1
469.32852	7.7
515.37195	3.4
525.35822	8.5
543.36896	63.3
561.38440	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01878	12.1
55.05514	36.8
57.03444	12.1
57.07074	4.2
58.16879	2.3
65.03942	5.2
67.05511	100.0
69.03426	4.7
69.07076	31.0
71.04984	7.8
71.25214	5.7
79.05065	4.0
79.05502	75.1
81.03416	10.3
81.07067	89.6
83.04981	12.9
83.08614	20.3
85.02890	4.7
85.06564	3.8
86.77406	2.4
88.54761	2.2
91.05489	59.9
93.07055	78.9
95.04987	14.8
95.08617	60.8
97.06531	14.0
97.10174	14.9
99.08083	4.6
103.05505	3.8
105.07040	50.5
107.04959	8.7
107.08606	44.9
109.06511	4.8
109.10161	30.9
111.04440	9.6
111.08080	8.5
117.07024	28.7
119.08580	40.1
121.06503	5.5
121.10152	41.1
123.08094	7.0
123.11740	5.3
125.09653	13.1
128.06253	4.3
129.07016	10.5
131.08575	41.4
133.06487	3.0
133.10126	25.8
135.08078	4.9
135.11697	29.4
137.09641	4.4
137.13211	2.5
139.11209	5.4
141.06978	4.4
143.08568	10.1
145.06468	3.2
145.10146	34.9
147.08170	3.5
147.11717	16.6
149.09627	11.5
149.13255	7.0
151.11188	5.0
153.12770	6.0
155.08511	6.4
157.10115	8.4
159.11682	15.3
161.09616	4.6
161.13258	7.6
163.11177	22.4
169.10181	7.3
171.11717	7.5
173.09624	5.9
173.11838	4.3
173.13271	9.9
175.11217	5.3
175.14914	3.6
181.12292	9.2
183.11752	3.9
185.13278	6.4
187.14813	6.6
189.11150	4.3
189.12691	3.2
191.09158	2.8
191.10635	13.2
193.12196	3.6
195.11890	2.2
197.13341	3.2
199.13214	2.9
199.14882	4.1
209.11705	8.5
227.12849	28.3
229.14285	5.0
243.21153	5.2
245.13821	5.4
259.20688	3.3
261.22061	13.2
267.15976	3.3
275.20187	2.6
277.21588	6.9
283.15414	16.7
285.22092	3.7
297.21994	3.5
299.23926	2.9
301.21765	3.0
315.23245	3.8
317.24683	6.9
327.23178	4.5
335.25867	22.0
342.16956	2.5
360.16486	2.6
361.23837	3.4
433.30942	3.4
451.32059	11.5
469.33020	10.8
487.34003	5.3
525.35492	7.8
532.00226	2.4
543.36792	53.6
561.37946	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.7
53.70647	6.1
55.01875	9.5
55.05515	36.3
57.03442	29.6
60.67241	6.3
65.03925	7.3
67.05507	100.0
69.03434	13.9
69.07067	29.0
70.72662	5.8
71.01345	6.6
71.05006	9.1
71.54979	11.4
79.05490	64.6
81.03421	93.5
81.07064	84.3
83.04971	27.6
83.08624	35.5
85.02933	32.0
91.05486	73.9
93.07034	50.9
95.04987	37.0
95.08598	29.6
97.06537	17.5
97.10189	8.7
105.07029	60.1
107.04946	18.2
107.08599	40.3
109.06489	14.7
109.10167	67.1
111.08096	10.0
117.07028	8.2
118.01093	7.0
119.04974	10.0
119.08582	31.4
121.06508	8.4
121.10152	29.9
121.67916	6.0
123.11751	9.1
125.09660	18.1
128.06259	7.8
129.05461	6.9
129.07005	17.6
131.08572	34.2
133.10133	77.6
135.08072	12.5
135.11659	11.4
137.09561	6.8
139.11110	6.8
143.08588	8.3
145.10172	8.4
147.04428	17.4
147.08014	10.4
147.11697	13.1
148.26857	6.4
149.09618	17.5
151.11198	32.1
157.10112	16.9
160.78668	6.7
163.11244	14.8
173.11778	11.3
175.11226	11.9
193.12199	32.1
209.11920	8.2
211.13315	25.0
229.14357	13.2
253.14348	75.2
267.15924	66.3
271.15479	12.1
273.18576	9.5
285.16974	25.9
291.19632	17.5
311.12607	6.8
365.23257	84.7
459.27145	32.1
477.28583	67.4
527.28882	6.8
544.37256	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	562.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76336	4.8
55.01872	12.2
55.05522	26.6
57.03434	15.2
61.02940	6.2
67.05515	100.0
69.03436	16.4
69.07077	19.0
69.77630	4.5
70.96519	14.6
71.04991	8.5
79.05498	42.4
81.03439	35.9
81.07067	90.1
83.04993	11.4
83.08624	14.8
85.02903	30.7
86.09703	7.1
87.00841	7.4
91.05497	41.6
93.07045	31.7
95.04964	18.2
95.08614	54.6
97.02904	11.0
97.06551	17.5
97.10172	7.7
99.04494	7.4
105.01871	7.6
105.07040	40.3
107.04972	7.0
107.08601	35.9
109.02874	11.8
109.06520	7.9
109.10149	49.5
113.06013	6.8
115.77069	5.5
117.07050	9.4
119.08599	17.3
121.06519	7.7
121.10158	11.3
123.08057	5.2
123.11732	19.2
125.09668	7.6
127.03900	11.8
129.07016	5.8
131.08594	6.7
133.06485	5.7
133.10139	39.9
135.11679	8.8
137.13336	5.2
143.08574	6.3
145.04866	5.8
145.10138	8.6
147.04433	10.1
147.11674	7.7
149.09642	6.9
151.11211	18.9
159.08078	6.6
159.11595	6.5
175.11191	8.9
182.38092	5.1
213.43419	5.7
229.07484	8.3
229.14407	10.2
253.14363	67.7
271.15405	13.8
273.18567	10.2
279.23224	40.5
291.19635	11.6
329.04846	4.9
335.33572	5.4
337.01981	5.8
359.59555	5.6
365.23181	37.8
449.60458	7.2
459.27368	6.4
477.28400	9.6
562.37665	9.7
586.34204	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	562.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30325	2.2
55.01867	3.6
55.05514	15.4
57.03442	16.9
59.40321	2.0
67.05220	2.2
67.05514	24.0
69.03453	3.7
69.07070	4.5
69.24554	19.5
71.04944	4.2
79.05500	21.9
81.03428	94.0
81.07059	21.0
82.48929	2.1
83.04984	12.7
83.08636	23.2
85.02920	13.3
91.05487	27.9
93.07059	15.7
95.04989	26.6
95.08610	7.8
97.02888	4.5
97.06533	4.9
97.10155	4.9
98.21585	2.5
105.07040	21.5
107.04961	8.7
107.08585	10.4
109.06544	3.0
109.10130	4.2
111.08095	9.4
117.06998	4.1
119.08595	14.7
121.06493	2.8
121.10151	9.5
123.08098	2.4
125.09606	4.6
129.06992	12.5
131.08607	13.6
133.10112	9.1
143.08577	2.2
145.06509	2.5
145.10115	3.0
147.04424	4.5
147.08070	4.8
147.11742	13.7
147.12762	2.0
149.09641	4.5
157.10152	14.2
163.11267	3.1
175.11229	10.1
193.12247	35.2
211.13329	19.6
213.18471	2.1
249.14986	2.8
267.15945	100.0
273.14819	5.0
285.17007	22.6
349.21677	4.2
367.22739	13.8
385.23730	9.9
403.24988	3.2
433.25787	9.3
441.26178	4.6
459.27399	44.7
468.81909	2.4
477.28491	40.5
542.72626	2.2
572.84589	2.6
583.84265	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	563.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42153	0.1
69.72952	0.9
70.06600	0.7
80.53509	0.1
84.08165	0.2
86.09729	0.1
97.02937	0.2
102.35913	0.2
103.18584	0.1
120.46220	0.2
148.05177	0.4
149.06024	0.2
151.03947	0.2
153.01802	0.3
163.03889	0.3
167.03487	0.2
167.07033	0.1
229.04962	2.6
229.07034	0.2
257.04483	5.1
268.07104	0.2
272.06821	10.9
273.07056	0.2
283.06183	0.3
285.03925	1.2
299.05563	1.3
300.06311	39.5
301.06705	0.4
315.08640	100.0
316.08975	0.9
325.87866	0.2
371.15082	0.2
383.11041	0.3
563.13989	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	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82913	1.6
56.96568	62.5
57.54202	1.8
69.54438	4.0
69.54850	7.0
72.96071	2.2
83.97662	3.0
84.96044	3.3
98.20746	3.2
98.97591	26.9
100.99165	3.8
110.97596	8.1
112.99147	2.6
114.02264	1.9
115.00721	2.6
116.98637	7.4
117.90332	1.8
121.99172	6.2
124.00722	16.6
128.98640	4.9
131.00182	1.9
140.00204	41.2
142.00670	4.1
142.01778	75.8
143.00130	4.5
158.01279	35.9
158.99673	18.0
160.02855	50.9
161.01273	2.3
161.04842	4.2
167.99756	4.4
170.99675	5.1
176.02345	6.3
177.00746	10.6
178.03850	2.0
179.05913	4.8
186.00763	17.7
194.97234	2.1
201.00772	3.8
202.07509	2.6
203.05898	4.2
204.01802	26.2
209.09689	4.2
219.01768	29.1
222.02887	5.8
226.07526	4.6
227.10646	11.6
237.02841	26.3
253.08566	2.8
255.03789	2.3
271.09607	17.9
289.10739	12.7
297.07629	9.1
298.05969	1.9
305.09106	42.5
315.08643	36.8
323.10144	47.3
434.12381	13.2
434.17676	100.0
519.22278	25.5
546.17792	2.4
563.21246	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64002	2.9
53.03948	5.0
55.01877	6.0
55.05518	39.1
57.03437	14.4
57.07079	3.5
65.03941	5.9
65.87064	3.6
67.05511	95.6
69.03429	6.9
69.07076	34.5
71.04991	9.8
79.05506	65.9
81.02954	2.8
81.03417	19.4
81.07067	100.0
83.04998	11.1
83.08628	23.1
85.06569	7.4
89.01312	2.8
91.05491	51.8
93.07060	78.3
95.04979	14.8
95.08614	69.1
97.06569	17.7
97.10160	18.0
97.96098	2.8
98.21606	5.8
105.07044	55.3
107.08618	50.6
109.06559	4.9
109.10169	40.4
111.08083	9.0
117.07069	19.9
119.08591	45.3
121.10159	43.9
123.08052	7.6
123.11743	7.5
125.09670	14.9
129.07025	11.7
131.08601	33.7
133.10170	32.4
135.08081	5.0
135.11711	24.7
139.11205	11.4
143.08604	9.8
145.10136	29.2
147.08139	3.4
147.10703	3.6
147.11684	21.1
149.09673	8.1
149.13297	10.7
151.11182	3.3
155.08557	8.2
157.10147	13.5
159.11768	20.9
161.13271	12.7
163.11174	5.9
163.14880	6.4
165.12831	4.9
169.10123	6.4
171.11732	13.9
173.11960	3.6
173.13261	15.6
175.14796	4.5
177.12715	4.2
181.10139	4.3
183.11742	7.2
185.13255	7.8
187.14836	8.3
189.11298	7.9
195.13815	3.5
197.13344	4.8
199.14949	5.4
201.16534	4.7
203.12820	7.5
216.30827	3.0
221.15512	3.2
227.12903	10.2
229.14442	3.7
229.41245	3.7
241.14337	4.6
241.19562	3.8
243.21332	3.6
259.15396	7.9
259.20706	3.4
261.22183	5.6
267.15939	12.1
267.54755	3.0
287.23788	6.4
289.21512	9.2
301.25266	10.1
305.78986	3.4
317.24844	4.9
335.26016	14.9
361.27579	3.7
363.25369	4.7
417.31351	4.8
435.32721	15.6
453.33694	18.1
471.34720	12.7
517.38232	3.1
527.37341	42.1
545.38397	53.6
546.38501	4.0
563.38135	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	563.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01890	3.2
55.05519	24.4
57.03450	11.9
57.07076	5.1
65.03955	2.9
67.05512	56.8
69.03434	2.2
69.07074	28.0
69.07394	1.1
71.05008	2.9
71.08630	3.2
71.55297	1.8
77.03904	1.3
79.05498	32.8
81.03437	4.2
81.07064	64.3
83.04997	4.6
83.08629	17.2
85.06525	2.2
85.10213	1.4
85.57085	1.3
91.05480	16.7
93.07053	41.6
95.04961	8.7
95.08619	63.1
97.02907	3.0
97.06546	6.6
97.10191	6.8
99.04442	2.7
103.05450	1.4
104.05103	1.2
104.18793	1.1
105.07045	15.1
107.04953	8.1
107.08601	25.9
109.06546	2.3
109.10157	16.6
111.04459	2.3
111.08163	1.4
117.07030	8.5
119.08580	15.8
121.06525	3.5
121.10157	17.1
123.11717	7.1
125.05991	3.2
129.06989	1.3
131.08578	4.6
133.10170	7.5
135.08109	2.9
135.11697	34.7
137.13283	2.8
139.07545	1.9
143.08588	2.2
145.06567	1.2
145.10126	21.7
147.11707	4.3
149.13277	2.2
157.10127	1.7
159.11720	1.5
161.13322	2.5
163.11206	48.6
163.14818	2.5
175.14848	2.8
181.12253	10.7
209.11778	1.9
227.12798	100.0
233.15546	2.3
245.22597	3.0
263.23792	5.6
283.15402	34.5
294.48605	1.3
297.73245	1.4
301.82382	1.4
307.18958	1.6
313.27368	3.1
331.26453	2.2
337.27396	97.1
338.27701	1.5
356.75485	1.4
465.00238	1.6
545.38312	46.6
563.39178	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01869	1.6
55.05495	2.1
57.03427	2.4
61.02920	2.1
67.05495	2.9
69.03442	7.4
69.07053	2.0
69.62852	1.3
69.63264	3.4
70.06596	1.6
71.04983	0.6
73.02907	1.2
74.00656	2.7
75.11121	0.6
79.05489	1.8
81.03429	4.1
81.07063	1.1
83.04979	0.9
84.04508	1.0
85.02917	16.5
86.09711	1.0
88.02222	0.9
88.04021	1.1
91.05481	1.1
93.07027	1.0
95.04958	1.8
95.93425	0.6
97.02909	5.1
97.06541	13.7
98.06839	1.1
99.04445	1.4
109.02872	2.7
111.04512	0.8
120.01198	3.6
121.10185	0.6
126.55103	0.7
127.03912	2.3
127.46238	0.6
131.08554	0.9
134.99811	0.7
145.04965	2.1
145.06447	0.9
147.04425	1.7
157.98901	0.7
158.90260	0.8
159.04393	1.1
162.02176	0.7
163.03947	3.3
165.07010	0.8
169.10162	0.7
173.02415	1.6
183.08072	0.9
184.08847	0.9
185.06010	1.2
192.09349	1.8
195.08070	2.4
196.08813	0.9
197.09624	8.6
199.07532	0.9
207.11699	1.9
209.09766	1.1
210.10411	2.5
211.11143	0.9
213.09151	1.2
215.07098	4.4
217.10056	0.9
219.08051	1.3
220.08890	3.8
223.07523	1.0
223.11111	1.3
224.06467	1.2
224.08427	1.6
225.09113	2.4
225.12746	2.7
229.08421	0.8
233.09554	1.3
234.10416	1.6
235.11209	8.4
237.03781	2.0
237.09158	1.1
238.04523	0.8
238.09933	6.7
239.08975	2.3
239.10919	1.1
241.08620	1.3
241.12158	1.0
248.08362	0.8
249.09213	1.2
251.05119	0.8
251.10687	1.6
252.05984	7.2
252.11378	1.0
253.12268	10.1
257.04495	4.6
258.04910	6.6
259.05637	1.3
259.09595	5.3
263.05212	1.2
263.10751	2.6
264.11417	0.8
265.03192	0.9
266.09399	1.5
267.08151	16.4
267.10681	1.2
277.11530	0.9
279.04871	1.7
280.05560	9.0
280.10754	1.6
281.11749	100.0
282.12540	8.1
283.04263	2.4
284.07886	0.8
285.09476	0.8
286.04712	4.4
287.05353	6.2
288.05884	3.7
293.11697	1.8
294.07297	0.8
295.07904	56.2
296.08401	1.6
298.06683	2.4
300.05957	2.2
301.06976	3.7
302.07462	5.2
303.08606	1.0
311.12735	2.9
313.08951	57.6
314.09012	1.0
315.08694	3.4
316.09000	6.7
316.28342	1.6
323.66452	0.7
325.08942	4.1
327.15674	1.7
337.14362	1.8
339.10483	1.9
353.13861	0.8
354.14359	1.0
355.15366	7.9
373.16592	1.1
383.11319	8.0
384.11615	27.6
385.11530	1.8
401.12347	11.1
402.13089	50.1
403.13449	1.2
520.33075	0.8
564.18665	2.4
564.34247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33673	1.6
53.80164	1.3
55.01883	3.4
55.05505	3.8
56.33825	1.2
57.03442	1.7
65.03938	1.6
67.05511	9.3
69.03417	1.9
69.07072	11.6
69.52237	9.2
71.01328	2.1
79.05499	14.8
81.03403	2.7
83.04974	7.1
85.02909	1.9
91.05476	2.7
93.07061	2.1
95.04971	16.0
95.08593	1.9
97.02898	1.6
97.06535	100.0
98.21542	2.8
105.07034	2.4
111.04429	2.3
113.20974	1.4
129.06952	1.9
141.07004	1.7
143.08632	1.9
145.06471	1.7
147.04399	2.0
158.07179	1.5
159.07906	1.5
160.05301	1.7
160.08827	2.0
161.02209	1.7
161.05962	7.7
163.03917	13.4
167.08580	2.3
169.06451	2.2
171.08107	2.9
173.05951	2.3
175.07460	2.0
183.08102	1.8
184.08780	1.6
185.09541	2.2
186.06776	2.1
187.07686	2.9
189.09143	9.4
195.08113	4.4
199.07571	5.1
201.05368	2.2
201.09138	2.5
211.07492	2.2
211.13318	1.5
212.08260	2.0
213.09160	4.8
214.06262	4.6
215.07025	8.0
223.07565	1.6
225.09209	1.9
231.10182	3.7
241.08646	8.4
241.12209	4.7
242.09105	1.3
243.06554	2.1
257.04492	3.8
257.11911	1.5
258.04953	2.6
259.09720	16.7
261.11023	1.4
267.13721	3.4
283.13138	3.2
286.04706	1.8
287.05444	7.1
287.08575	1.3
288.05789	9.1
299.12946	3.6
309.14847	2.5
311.12793	30.5
312.13235	1.6
313.10773	2.2
313.14301	7.5
327.15839	10.1
329.14059	1.8
337.14200	9.7
355.15408	86.5
373.16440	10.1
383.11203	5.4
384.11667	16.8
391.69595	1.8
401.12347	10.0
402.12717	27.2
414.65253	1.5
529.21033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43621	1.7
55.05487	1.8
58.63565	1.4
67.05489	7.8
69.07047	5.9
69.21368	18.2
70.06580	1.6
70.50949	1.8
75.80440	1.6
79.05472	7.2
81.03411	3.2
81.07022	2.2
83.04976	7.3
85.59718	1.6
91.05469	2.5
93.07018	2.4
95.04974	16.2
97.06532	34.9
104.78512	1.8
109.10123	1.9
111.04436	1.9
145.06363	2.1
147.04327	3.0
153.01762	2.3
157.06479	2.4
161.05956	4.0
163.03900	6.4
167.03389	2.4
167.08533	2.1
169.06534	2.5
173.05954	3.3
175.03871	2.4
181.06487	4.4
185.05991	2.1
187.03995	2.8
187.07573	2.6
195.08040	4.9
197.05949	1.8
199.04057	1.9
199.07532	3.1
201.05371	3.9
201.09155	3.7
209.09749	1.9
210.10309	2.6
211.07541	3.4
213.09068	4.5
215.03409	3.6
215.06946	5.8
225.09077	2.8
228.07800	1.6
229.04883	2.0
229.08565	4.3
239.06882	2.5
239.10658	2.9
241.08609	12.3
243.06583	2.0
245.08046	2.3
257.04492	12.9
258.04767	13.7
259.09641	13.5
265.08258	2.2
267.13760	4.9
285.07620	2.1
286.04767	8.8
287.05286	18.5
288.05865	16.5
293.11761	5.1
309.14902	3.8
311.12784	21.3
313.14230	3.6
327.15784	7.9
337.14359	26.8
355.15399	59.1
373.16345	7.3
383.11310	17.5
384.11618	60.4
401.12354	29.7
402.12674	100.0
465.13565	1.9
564.17322	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	565.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56377	1.0
63.58791	1.1
69.84089	5.7
77.50467	1.0
83.36134	1.0
91.46234	1.2
92.43195	1.1
191.98248	25.1
197.03165	1.2
205.96204	21.2
222.94089	1.8
259.02585	2.5
277.03586	6.0
303.01495	4.0
303.99896	1.3
320.67706	1.1
321.02502	100.0
339.02771	11.9
436.07660	1.7
440.75720	1.2
469.34897	1.1
549.83728	1.2
565.11517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21571	1.8
70.10240	4.4
70.10641	4.3
72.25514	2.1
76.56599	1.9
91.16252	2.1
98.20876	3.1
102.31573	2.2
117.07007	2.5
118.06561	23.3
132.08086	5.2
133.67830	2.1
143.07347	3.8
144.08096	10.7
146.06024	66.5
154.10597	2.2
159.09239	6.3
164.88383	2.2
169.54691	2.1
170.05986	4.4
188.07092	100.0
205.09753	43.4
222.54912	2.2
277.25177	2.2
285.27283	2.0
386.68484	2.3
412.74591	2.5
525.11035	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	565.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57723	0.8
55.05505	1.5
56.96566	2.1
67.05516	4.5
68.39715	0.8
69.07061	1.7
71.55235	1.2
79.05502	2.5
80.54287	0.7
81.03444	2.3
81.07074	3.8
83.08631	1.5
85.02909	1.1
91.05518	3.6
93.07057	1.9
95.04975	1.1
95.08643	1.8
97.06534	1.7
105.07032	2.2
107.08603	1.3
109.02840	0.8
109.06523	1.1
109.10172	1.2
117.07032	0.9
119.04920	0.8
119.08582	1.5
121.06542	0.8
121.10195	1.4
123.08055	0.8
129.07028	0.9
131.08620	1.3
133.10170	1.7
135.48442	0.8
145.10188	1.4
147.04436	1.1
147.11757	1.0
157.10097	1.1
163.11230	1.0
217.93356	0.9
246.71480	0.9
249.11070	1.1
253.55731	0.9
283.15222	9.9
339.17957	6.3
347.15509	1.7
383.11642	0.9
469.19458	0.8
547.13373	0.8
565.29895	100.0
566.30554	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22237	0.8
54.40027	0.9
55.01876	1.0
55.05508	2.0
56.96559	2.5
57.03423	1.3
58.04443	1.0
59.51347	0.8
61.02925	2.1
62.25744	1.0
62.92011	0.8
67.05504	4.8
69.03446	0.9
71.04994	1.2
71.55596	1.2
71.70758	1.0
79.05486	3.1
81.03431	2.6
81.07053	3.2
81.73553	0.8
85.02910	2.1
91.05499	3.3
93.01426	0.8
93.07043	3.1
95.04991	2.2
95.08630	1.5
97.06540	1.6
105.07032	2.3
107.08614	1.6
109.10174	1.2
119.08571	1.1
121.10165	1.4
131.08575	1.6
133.10156	1.1
135.08070	1.1
135.11705	1.7
145.10121	1.5
156.43294	1.2
163.11290	1.5
267.09061	1.0
283.15234	13.3
305.13644	1.1
339.17825	7.0
347.15442	1.7
355.15741	1.0
365.16864	1.3
379.16400	1.0
429.11993	1.5
447.13431	1.0
469.19781	2.3
541.43170	1.0
565.29895	100.0
566.30475	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	565.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72079	1.9
53.03946	4.1
55.05515	14.0
57.07078	7.4
65.03934	4.8
67.05179	2.5
67.05509	33.2
69.03430	2.9
69.07078	17.8
71.04995	2.8
71.56063	3.3
76.19497	1.8
79.05503	21.0
81.07061	43.0
83.04987	3.3
83.08624	12.0
84.90135	2.2
85.06548	2.9
90.66323	3.0
91.04963	3.4
91.05493	39.4
91.06030	4.4
93.07050	47.5
95.04965	6.7
95.08626	37.5
95.09235	3.0
103.05453	4.7
105.04485	2.7
105.07042	75.5
107.08602	54.5
109.06522	9.5
109.10165	51.8
111.11721	2.7
115.05474	5.3
117.07035	16.2
119.08596	100.0
119.09467	4.8
121.06563	3.2
121.09319	4.0
121.10165	71.0
123.08057	6.9
123.11716	17.2
128.06218	10.7
129.07030	14.0
130.07799	5.3
131.08591	36.5
133.06493	2.5
133.10143	50.2
135.08070	5.8
135.11708	35.2
137.09613	3.2
139.11232	2.3
141.07011	8.7
142.07782	21.2
143.08571	30.5
144.09360	5.9
145.10144	53.8
145.11285	3.2
147.08038	3.2
147.11705	24.7
149.09634	4.7
149.13277	3.7
153.06981	4.3
154.07762	3.5
155.08554	15.8
156.09410	15.7
156.53160	2.7
157.09084	2.3
157.10146	62.3
158.10892	3.3
159.08069	6.6
159.11736	31.6
161.09612	4.6
161.13255	7.7
163.11133	3.7
165.07024	5.0
166.07782	4.1
167.08603	10.6
167.10683	9.6
168.09378	7.6
169.10164	28.2
170.10913	4.7
171.11732	28.4
172.12567	3.6
173.09631	6.2
173.13289	21.3
175.11267	4.6
175.14854	31.8
177.12770	5.2
178.13181	2.9
179.08559	11.2
180.09354	5.1
181.10069	15.0
182.10912	12.2
183.11726	27.7
185.09645	3.0
185.13283	14.6
187.11201	3.0
187.14841	8.9
189.12804	4.8
189.16434	3.6
192.09338	3.7
193.10156	13.0
194.10938	8.7
195.11713	19.5
196.12508	6.1
196.72105	2.5
197.13277	31.5
199.11218	10.1
199.14801	7.2
201.12698	3.1
201.16309	11.0
203.14291	2.7
205.10156	3.4
206.10945	6.9
207.11772	14.3
208.12492	6.1
209.13353	17.5
210.13969	3.7
211.11180	2.9
211.14885	12.5
213.12782	8.4
213.16376	7.5
214.13480	2.3
215.14381	8.4
215.17825	2.5
216.09383	2.5
219.11734	5.0
219.13815	2.9
220.12474	4.2
221.13313	12.5
222.14084	2.3
223.11314	2.7
223.14838	19.5
224.15477	2.1
225.12741	6.3
225.16418	3.1
227.17946	4.5
231.11716	4.4
232.12364	3.2
233.13196	7.1
233.15422	5.6
234.13997	3.8
235.14816	5.7
237.12686	5.2
237.16368	5.7
238.16974	2.4
239.14326	2.8
239.17932	5.2
241.16011	2.9
244.12416	3.7
245.13336	5.1
247.14777	8.6
248.15662	2.1
249.16406	7.2
251.14355	4.6
251.17929	3.2
253.19646	2.6
255.17398	2.3
260.15610	2.2
261.16412	6.1
263.17966	4.5
271.14664	3.0
273.15872	3.7
273.18542	35.0
275.14413	2.2
275.17889	4.3
277.15796	3.0
279.21100	8.8
285.16302	3.1
289.19400	4.3
291.21027	2.4
299.20132	47.1
310.30948	2.4
331.20535	2.6
333.22311	2.8
351.23181	4.1
363.23126	4.7
375.22971	2.9
443.29251	4.8
473.33786	8.8
512.08759	2.3
565.40479	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.05499	13.9
57.07075	7.2
67.05507	36.0
69.07069	25.8
71.14803	6.8
77.88201	3.4
79.05500	19.1
81.07060	47.5
83.08606	7.3
91.05473	42.6
93.07043	49.7
95.04982	6.0
95.08623	34.7
103.05457	6.6
105.06380	6.8
105.07044	77.7
107.08601	51.2
109.06487	4.6
109.10165	53.6
112.13752	4.0
112.99658	4.2
115.05447	4.7
117.07006	20.3
119.08591	100.0
121.03250	3.5
121.10159	63.4
123.07980	7.6
123.11689	15.0
128.06219	10.5
129.07002	16.3
130.07758	4.6
131.08566	37.8
133.10126	42.5
135.08063	8.1
135.11705	29.8
141.06985	7.9
142.07834	19.0
143.08574	38.5
145.10118	65.0
147.11705	19.0
149.09599	8.3
149.13327	5.5
155.08601	17.6
156.09357	16.2
157.10130	57.7
158.10875	4.4
159.08060	9.9
159.11700	29.7
161.13292	6.6
165.06987	4.8
166.44763	3.9
167.08612	8.8
167.10648	17.3
168.09427	4.9
169.10175	27.0
171.07990	5.4
171.11691	30.4
173.09688	4.8
173.13261	21.3
175.14850	30.8
179.08574	17.8
180.09331	5.4
181.10190	17.3
182.10930	15.7
183.08044	3.9
183.11658	24.5
185.13254	10.9
187.14815	13.8
189.12737	4.7
193.10124	15.1
193.34280	4.0
194.10931	12.9
195.11678	21.2
197.09567	4.4
197.13300	24.4
199.11122	4.7
199.14857	7.1
201.12791	8.0
201.16464	7.7
206.10905	6.5
207.11774	12.0
208.12521	5.9
209.13271	26.1
211.14803	11.4
213.12842	6.1
213.16348	7.5
215.14345	7.3
218.10861	4.5
219.11632	4.3
221.13251	8.5
223.11174	4.9
223.14816	24.0
225.16353	8.7
231.11656	5.3
233.13211	7.3
233.15323	42.2
235.14897	5.3
237.16435	6.3
239.17996	6.2
245.13315	7.2
247.14874	6.4
253.19337	5.0
261.16373	7.0
265.20001	4.1
267.21182	4.4
270.40952	3.9
273.18558	16.8
279.21164	3.7
279.85950	3.8
281.18979	3.9
287.17807	4.1
289.19464	8.3
299.17584	4.1
299.20175	38.9
311.20190	6.4
325.21356	5.6
331.24341	4.0
345.22086	5.2
345.25888	16.5
363.22958	4.5
375.22986	4.1
381.48380	3.6
387.27213	3.7
403.27054	3.9
405.27808	6.1
443.29382	16.7
467.37302	10.9
473.34296	9.3
503.14175	3.5
565.40338	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01860	6.3
55.05513	39.7
57.03418	9.1
57.07061	11.5
61.02424	4.1
65.03938	9.7
67.05177	6.6
67.05509	88.8
69.03431	8.2
69.07072	46.3
69.73498	3.8
70.83973	5.8
70.84315	9.3
71.04981	8.5
71.08639	6.3
72.50815	3.5
73.06542	8.4
75.57688	4.4
79.05497	60.6
79.75033	3.7
81.03408	17.7
81.07063	100.0
83.04972	16.3
83.08618	21.5
91.05471	48.0
93.07059	75.0
95.04963	19.3
95.08616	76.1
95.09180	3.4
97.06522	12.3
97.10164	22.7
105.07034	60.2
107.04932	5.5
107.08608	60.2
109.06523	10.2
109.10172	42.4
111.08085	4.6
117.07014	17.1
117.59476	4.0
119.08582	53.2
121.10145	45.1
123.08067	8.1
123.11716	18.4
125.09630	9.1
128.06235	7.1
129.07022	11.7
131.08594	36.6
133.10136	58.3
135.07959	6.8
135.11713	31.0
137.09669	6.2
139.11186	7.6
143.08569	19.0
144.09349	5.6
145.10147	38.5
147.08063	7.0
147.11673	18.2
149.09673	5.3
149.13255	9.8
155.08553	9.0
156.09319	5.0
157.10129	23.4
159.11674	19.4
161.13266	11.5
163.11206	12.5
163.14789	6.8
167.10664	6.0
169.10117	14.0
171.11725	16.4
173.13306	12.3
175.14828	14.0
181.10153	5.5
181.12286	4.3
183.11641	10.3
185.13217	13.6
187.14801	12.4
189.11188	7.1
193.12274	4.8
195.11737	5.9
197.13228	11.0
199.14912	5.4
201.16391	5.6
207.11687	5.6
209.13271	12.6
221.13217	6.2
225.32698	4.2
229.14391	6.6
235.13217	6.9
237.16544	5.1
259.15213	6.2
267.15891	4.6
275.18051	4.5
289.25122	7.0
291.23178	8.3
299.20334	4.7
313.27307	8.0
319.26523	4.8
337.27426	7.0
393.30161	5.7
437.34042	12.1
455.35034	14.2
473.36075	14.3
529.38739	37.9
547.39941	62.0
565.40662	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42085	0.8
51.48418	0.9
52.28073	0.8
53.03949	1.0
55.01870	1.1
55.05516	6.7
56.05025	2.0
57.03429	2.6
61.02930	6.8
65.03933	1.1
67.05496	3.7
69.03439	8.4
69.07066	1.4
69.77502	4.6
69.77875	1.5
70.06596	10.5
71.04997	60.5
72.08150	1.3
73.02905	6.5
78.79430	0.9
79.05492	6.9
81.03410	3.0
81.07051	3.0
83.05018	1.6
83.08605	3.0
84.04541	0.9
84.08147	5.1
85.02918	9.0
86.06077	5.4
86.09688	1.5
87.04458	1.3
88.03998	2.7
91.03952	3.1
91.05473	3.8
93.07041	2.0
95.04967	0.9
96.08134	7.3
97.02895	5.7
97.06512	1.0
97.10178	5.2
98.06056	2.9
101.02402	1.2
102.05550	1.1
105.07069	1.5
107.08608	4.4
109.06487	1.2
109.10178	1.4
111.08080	3.2
112.07624	4.3
114.05522	1.2
117.07020	1.4
119.04920	1.2
120.08124	1.6
121.02904	1.2
124.07611	4.3
125.09628	5.1
127.03900	1.3
129.10257	2.4
135.08073	2.8
136.07545	1.5
142.08650	5.3
153.05397	1.3
153.09148	2.6
158.08153	3.0
167.06979	1.2
170.08141	1.5
177.05450	1.3
189.11214	1.9
202.10825	1.3
227.12891	2.4
328.21066	1.2
404.22742	1.8
566.28101	100.0
567.28394	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	567.2786
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
51.37007	1.2
53.24845	1.3
55.05516	2.6
56.96566	1.4
57.03445	1.7
67.05523	8.2
67.05818	1.2
69.03444	2.0
69.07064	4.2
71.54896	1.6
71.55305	1.7
76.89088	1.2
79.05495	4.2
81.03435	6.3
81.07056	5.5
83.08626	2.0
85.02905	1.6
89.60058	1.3
91.05490	4.2
91.06086	1.1
92.22049	1.5
93.07051	4.7
95.04963	1.9
95.08638	1.4
97.06560	2.5
107.08611	2.4
109.06524	1.2
109.10168	3.2
117.07043	1.6
119.08555	1.3
121.10161	2.1
125.09615	1.3
127.03848	1.5
131.01714	1.1
131.08601	1.7
133.10086	1.3
173.11737	1.7
203.05338	1.9
240.31033	1.2
251.12585	4.1
265.23737	1.2
283.15182	3.7
304.23456	1.2
307.15152	2.0
331.09946	3.4
339.17841	2.8
349.18341	1.3
367.26425	1.2
395.80942	1.2
405.22339	1.9
469.20404	6.5
495.25775	3.5
531.57605	1.4
549.26733	30.6
567.27362	100.0
568.29199	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
64.03461	1.2
64.33414	1.1
67.05507	8.0
69.07061	2.5
70.96315	3.0
79.05466	3.9
81.03410	5.6
81.07061	6.6
83.04950	1.9
91.05431	2.1
93.07021	4.1
95.04958	1.2
95.08555	1.3
97.02871	2.0
97.06524	2.7
105.07013	2.6
107.08595	3.0
109.10135	3.6
131.08606	1.5
144.93776	1.2
145.06581	1.3
147.04399	1.2
181.58606	1.2
195.13635	1.3
228.26184	1.2
234.59680	1.2
301.20074	3.9
319.21249	3.2
331.09802	3.8
405.22089	1.9
423.27536	1.3
469.06171	1.2
469.20377	8.0
481.26385	1.6
495.25034	3.8
523.28967	5.6
549.26740	19.1
567.27557	100.0
568.27838	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	567.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.05510	2.2
56.05045	10.0
65.03947	0.7
67.05508	8.1
67.73807	0.6
69.03423	1.0
69.07059	2.2
70.06615	0.5
70.66738	1.3
72.49516	0.5
79.05501	9.7
81.03416	1.2
81.07063	9.2
83.05000	1.0
83.08626	1.9
84.04510	100.0
85.02911	2.6
85.06537	0.8
91.05485	12.8
93.07059	9.4
95.04999	2.3
95.08603	4.0
97.06551	2.4
102.05551	44.9
105.07031	6.7
107.04957	4.0
107.08591	4.3
109.06551	1.5
109.10181	2.1
111.08044	0.6
115.05458	0.7
117.07023	14.0
119.05006	0.6
119.08587	5.0
121.06530	1.9
121.10136	3.6
123.08091	0.7
125.09689	1.1
128.06276	1.4
129.07021	4.2
130.05016	39.4
131.07619	0.5
131.08583	10.1
133.06520	4.7
133.10141	3.7
135.08076	1.5
135.11691	2.7
137.09636	0.9
141.06998	1.7
143.08546	3.1
145.06502	1.2
145.10132	4.7
147.04425	0.9
147.08072	4.2
147.11740	1.8
148.04851	1.1
148.06053	22.7
149.09686	1.4
149.13274	1.3
154.07913	0.6
155.08626	0.9
157.10132	3.4
159.08087	1.4
159.11736	5.0
161.09656	2.4
161.13272	1.0
163.03941	0.8
163.11249	0.8
167.08528	0.9
169.10167	1.5
171.11760	2.8
173.09636	1.0
173.13290	0.7
175.11267	1.7
177.12769	4.2
181.10211	1.4
185.13182	0.6
195.11763	1.0
199.11417	0.6
201.09235	0.6
201.12926	0.6
211.14914	0.6
213.16402	1.3
227.17996	1.7
237.16431	3.0
245.19092	2.0
249.18456	0.8
255.17445	5.1
257.05008	0.7
263.20151	1.6
272.20084	3.2
273.18506	26.1
291.19556	6.6
309.21027	0.5
328.22760	1.2
338.21344	0.5
339.19397	0.9
346.23807	2.1
353.21774	1.4
356.22366	3.2
371.22644	0.9
374.23291	11.2
374.28009	0.6
392.24179	2.5
402.22769	3.9
420.23825	11.7
438.25174	0.7
475.27719	0.7
503.27682	1.1
521.28778	3.2
531.27130	0.6
549.28558	2.6
567.19513	0.8
567.28430	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	567.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71186	0.3
54.99105	0.3
55.05510	0.7
57.03450	0.9
59.05016	0.6
65.03934	0.3
67.05515	1.6
69.07080	0.5
71.05003	0.8
71.06197	0.5
72.19521	0.3
79.05513	1.6
81.03432	2.9
81.07069	1.5
83.05020	0.4
83.08646	0.7
85.02914	1.1
89.60735	0.4
91.05500	2.2
93.07050	1.6
95.04984	1.0
95.08653	1.1
97.06551	0.5
98.67207	0.3
105.07067	1.4
107.08592	0.8
109.06541	0.5
109.10159	0.6
111.08111	0.3
119.08604	0.9
121.10132	0.7
126.52183	0.4
129.07071	0.4
131.08586	0.9
133.10146	1.1
147.11725	0.9
149.09631	0.8
157.10159	0.4
163.04016	0.4
175.11229	0.4
193.12331	0.7
233.11505	0.5
243.73495	0.4
244.04106	0.3
251.12659	1.7
283.15213	11.9
307.15317	1.1
339.17816	5.4
413.31149	0.3
567.31549	100.0
568.32349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48772	0.3
53.03948	0.5
55.05518	0.7
57.03438	0.7
60.47535	0.3
67.05504	2.7
69.03449	0.5
69.07083	0.6
70.20551	1.5
71.05005	0.8
79.05495	2.0
81.03428	2.2
81.07055	1.8
83.04993	0.9
83.08626	0.7
85.02917	1.3
86.59697	0.3
87.67059	0.4
91.05493	2.2
93.07079	1.7
94.43445	0.4
95.04977	1.2
95.08639	1.0
97.02885	0.4
97.06533	1.0
105.07051	1.6
107.08611	0.7
109.06544	0.5
109.10209	0.8
111.08118	0.3
119.08605	1.1
121.10164	1.2
129.07039	0.8
131.08611	1.0
133.10149	0.7
147.04456	0.6
147.11760	1.2
149.09676	0.9
157.10176	1.0
163.03926	0.5
175.11331	0.6
193.12218	0.7
197.16884	0.4
233.11610	0.4
251.12659	1.4
265.14276	0.5
269.12305	0.5
283.15207	9.5
285.04071	0.4
285.17105	0.4
307.15320	1.5
339.17880	4.1
386.34030	0.5
477.24863	1.6
549.26886	0.7
567.31519	100.0
568.31885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.6
53.03938	2.1
55.05291	1.1
55.05515	10.9
57.07074	7.7
59.04994	1.1
65.03927	3.8
67.05505	18.4
69.03439	1.8
69.07075	11.9
69.17371	4.1
69.17793	7.8
70.06587	1.7
71.04984	1.5
77.03905	1.5
79.05492	23.8
80.06242	3.8
81.07065	34.8
83.04954	1.9
83.08606	3.9
85.06522	3.1
88.07620	1.5
91.05482	44.6
92.06252	2.0
93.06470	2.3
93.07046	46.4
94.07806	1.1
95.04970	37.1
95.08607	27.0
95.13683	1.0
97.06535	2.7
98.20689	2.2
103.05446	3.8
105.07034	80.8
106.07796	4.1
107.08598	42.9
108.05756	1.4
108.09353	2.7
109.06538	5.4
109.10159	15.8
111.08078	2.5
115.05441	5.1
115.06168	1.3
116.06228	2.5
117.06222	1.8
117.07021	25.5
118.07842	2.7
119.08585	100.0
120.09406	8.1
121.06483	2.6
121.09323	1.9
121.10155	28.7
123.08066	15.9
123.11682	4.1
125.09619	2.2
128.06227	10.0
129.07001	16.0
130.07802	10.6
131.08569	51.3
132.09355	9.4
133.10136	51.4
134.10921	7.1
135.08096	6.1
135.11708	16.8
137.09630	5.5
138.10378	6.1
139.11157	2.7
141.06966	8.4
142.07788	18.1
143.08566	41.9
144.09338	14.8
145.10130	77.4
146.10921	7.0
147.08072	1.8
147.11687	22.3
148.12456	1.3
149.09669	5.3
149.13257	3.9
151.11206	3.8
153.06973	2.9
154.07727	2.0
155.08554	14.3
156.09331	14.8
157.10132	46.5
158.10942	9.7
159.08058	1.8
159.10445	2.3
159.11691	36.0
160.12433	2.3
161.09642	6.9
161.10771	1.0
161.13249	7.3
163.11157	3.2
165.07059	5.5
166.07799	2.6
167.08562	7.7
168.09352	6.5
169.10146	22.9
170.10919	9.2
171.11694	35.6
172.12479	7.6
173.13272	23.9
174.14026	2.0
175.11176	1.7
175.14836	18.9
177.12750	5.5
179.08551	9.3
180.09322	4.6
181.08681	1.5
181.10129	14.7
182.10918	8.0
183.11699	26.4
184.12405	4.8
185.13261	23.6
186.14078	5.5
187.14818	13.8
189.12727	4.3
189.16327	1.6
191.14328	9.1
192.09308	2.0
192.15033	3.1
193.10133	6.9
194.10899	8.4
195.11685	18.4
196.12468	9.1
197.13249	26.3
198.14021	5.2
199.11136	1.8
199.14822	12.1
200.15500	1.7
201.12747	3.9
201.16333	7.8
203.14319	3.4
205.10104	1.7
206.10875	4.4
207.11667	9.8
208.12440	3.5
209.13245	22.6
210.13931	2.8
211.14830	15.5
212.12276	1.1
212.15628	2.2
213.16386	3.7
215.14500	1.2
217.10028	1.2
217.15889	4.2
218.16655	1.3
219.11720	2.6
219.17358	1.5
220.12433	3.0
221.13330	9.5
222.14047	2.9
223.14806	9.0
224.15549	4.6
225.16374	5.6
226.17128	3.7
227.14291	1.3
227.18034	1.8
229.15900	1.4
231.11736	2.1
231.17390	2.5
233.13202	3.9
234.14041	1.3
235.14809	6.5
236.15388	1.5
237.16425	7.4
239.17929	6.3
241.15709	1.2
241.19553	2.9
245.13170	1.8
247.14853	4.0
249.16423	3.9
251.18025	3.1
253.19452	2.2
255.17407	1.8
257.18973	2.6
259.14874	1.4
259.20627	3.0
260.15546	1.4
261.16409	2.7
263.17957	4.8
265.19510	4.3
267.20947	2.0
268.57028	1.4
272.21356	1.9
273.16461	1.5
275.17950	2.5
277.19543	3.8
279.21008	1.9
281.18878	2.8
283.20551	3.1
284.29401	2.6
285.22021	2.0
291.21060	1.8
293.18597	1.2
296.21448	1.4
297.22162	2.1
305.22723	2.6
311.29456	3.3
323.23697	8.0
335.23111	1.4
337.25192	3.4
338.26071	37.6
349.25092	2.8
351.26889	2.0
362.25943	1.7
375.26697	1.5
415.29950	2.7
420.30392	1.9
430.32349	14.6
476.36655	13.7
554.00763	1.4
568.42743	24.8
568.56342	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	569.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01872	8.8
55.05502	5.3
56.96561	1.8
57.03428	4.3
58.06600	2.6
61.02927	3.6
65.03931	2.7
67.05502	8.6
68.99808	4.7
69.03435	26.0
69.07074	4.1
70.06586	6.5
70.57444	4.0
70.57817	4.3
71.04996	4.8
72.08144	4.8
73.02912	6.5
78.68650	1.6
79.05478	12.9
80.05003	3.4
81.02993	2.2
81.03424	31.0
81.07055	16.4
84.08148	3.1
85.02914	48.9
86.09724	3.0
87.00834	18.0
91.03938	2.6
91.05480	16.3
93.07040	20.1
95.01323	2.1
95.04971	3.6
95.08612	16.9
97.02902	17.6
97.06537	2.2
99.04456	11.7
103.05457	2.1
105.01862	12.2
105.07044	25.9
107.04990	2.5
107.08605	25.1
109.02891	27.1
109.10162	15.4
115.05476	3.7
117.01846	2.2
117.07021	5.6
119.08578	21.3
120.08105	4.7
121.02880	3.2
121.10150	20.9
123.04438	3.6
123.11724	9.0
127.03926	37.9
129.01810	3.2
129.07024	2.9
131.04945	2.9
131.08589	8.5
133.08913	6.3
133.10150	35.6
134.09639	2.2
135.04419	2.5
135.11699	20.2
143.08606	5.1
145.04958	15.6
145.10118	13.4
147.02948	2.9
147.04335	2.2
147.08095	2.6
147.11725	14.0
148.11186	11.9
149.13251	5.3
150.12807	6.3
151.03995	5.0
151.11188	6.4
157.10161	4.4
159.02934	16.2
159.11705	6.6
161.13281	6.6
163.03975	5.7
167.07043	2.6
171.11766	4.7
173.06036	2.5
173.13275	5.9
175.07605	4.6
177.01849	3.5
183.11636	3.2
185.13329	6.6
187.03972	5.2
187.12349	2.3
187.14873	3.5
189.13890	2.4
189.16380	3.0
191.03409	2.6
191.07057	5.1
195.02835	3.7
197.13347	3.1
199.14871	4.2
201.05540	2.2
207.02899	3.5
211.14841	3.8
213.16336	2.2
215.03430	5.6
215.07025	2.5
217.17023	100.0
219.02937	4.7
227.18060	4.1
229.04982	3.0
229.19652	2.7
231.02957	4.2
231.05026	6.9
231.06996	2.4
239.03435	7.2
241.01433	2.6
241.19490	13.2
243.06619	4.2
243.21210	4.5
257.04495	5.8
259.20679	8.1
261.03940	2.8
267.21167	10.6
269.04645	2.2
269.22723	6.4
271.06125	5.6
273.03885	5.6
277.21664	13.2
283.20520	2.4
285.03937	3.3
285.22086	19.0
287.23645	3.7
291.23294	3.3
297.04001	6.0
299.05551	12.7
303.23175	49.4
309.04047	2.2
321.24399	10.3
325.03555	5.6
327.05029	55.2
339.04910	3.2
353.03131	6.4
357.05957	3.0
369.06079	4.3
387.07187	4.7
395.19693	7.7
401.06619	3.3
405.08224	19.8
417.06064	3.1
418.07062	7.4
433.09177	25.2
437.12726	2.5
491.13260	9.2
523.24304	13.0
533.27753	3.4
551.16077	2.6
569.16479	6.2
569.25037	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.6
55.01870	2.6
55.05516	19.0
57.03459	2.7
57.07076	8.3
58.33782	1.9
63.21744	2.0
65.03927	4.5
65.72790	2.2
67.05513	70.8
69.07075	20.5
71.04987	3.7
71.55891	2.0
72.52679	2.0
72.82412	1.9
79.05500	67.5
80.60925	2.0
81.03434	2.3
81.07066	75.4
81.47560	2.0
83.05006	4.1
83.08631	9.5
84.68118	2.2
88.07663	3.3
91.05494	73.0
93.07059	78.1
95.04974	7.2
95.08617	55.9
97.06538	8.3
97.10197	6.3
105.07039	39.2
107.04928	2.2
107.08595	34.6
109.06552	6.0
109.10164	21.8
115.05481	2.5
117.07038	22.3
119.08596	34.1
121.06478	2.4
121.10161	38.1
123.08033	3.5
123.11767	6.1
128.06230	2.6
129.07025	8.8
131.08604	25.3
133.08597	2.9
133.10158	21.4
135.08049	5.2
135.11717	9.2
137.09607	4.1
141.07050	2.1
143.08592	10.8
145.10130	19.8
147.11716	11.8
149.13280	8.5
155.08572	2.7
157.10152	9.5
159.11726	9.4
161.13275	6.9
169.10178	3.6
171.11743	8.2
173.13298	8.1
175.14847	5.9
177.60396	2.2
181.10013	2.2
183.11778	5.3
185.13278	4.8
187.14859	3.9
189.16386	5.9
195.11710	3.7
197.13232	5.2
199.14868	8.4
217.15991	5.0
235.17001	7.2
261.22229	3.4
283.26279	3.2
284.29648	2.7
285.29858	3.3
291.19629	4.3
293.11115	2.0
311.29474	3.2
312.30115	2.6
333.98785	2.1
335.26453	2.5
364.04626	2.2
477.37338	4.1
495.38406	2.8
551.41138	6.7
569.42090	100.0
569.55634	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	570.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96129	0.4
55.05513	1.4
57.07080	4.6
59.84570	0.4
67.05509	3.3
68.05848	0.5
69.07085	1.0
69.79410	0.4
70.07445	0.4
71.08631	3.2
79.05497	3.2
80.41675	0.4
81.03435	0.8
81.07064	3.1
83.08643	0.8
85.10181	2.2
89.06039	5.2
91.05479	2.1
92.05025	0.5
92.05827	0.5
93.07064	2.6
94.07411	0.6
95.04985	1.3
95.08627	1.6
97.10188	0.5
98.98450	2.9
105.07037	1.7
106.07374	0.3
107.04925	0.4
107.08618	1.6
109.10181	0.6
115.05414	0.5
117.05777	0.5
117.07037	1.3
118.06567	3.8
119.07328	3.0
119.08607	1.1
121.10181	0.8
123.04428	1.4
125.00009	11.9
125.09648	0.4
129.07011	0.6
130.06526	0.8
131.07309	0.5
131.08578	1.3
132.08070	0.5
133.08640	3.2
134.09666	31.4
135.11732	0.5
143.08569	0.6
144.08087	11.3
145.08890	5.4
146.10448	0.4
160.11232	100.0
162.09113	0.7
162.69412	0.3
163.11179	0.6
177.11235	1.2
178.12286	86.5
179.12717	0.6
183.47473	0.4
207.13834	0.4
221.13814	0.7
235.13303	1.3
236.13618	0.8
258.08932	63.4
259.09341	0.6
313.27414	0.5
332.12555	1.2
371.22385	0.6
414.60474	0.4
541.60205	0.4
552.34521	6.5
553.42450	0.5
570.35406	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01881	5.6
55.05520	40.2
56.31559	2.8
57.03435	9.0
57.07075	13.3
58.07370	2.9
59.05016	4.4
60.46564	3.4
61.05407	2.9
64.75407	3.8
67.05503	18.5
69.03448	4.6
69.07079	33.9
71.01292	2.8
71.08636	8.4
71.55853	2.8
79.05500	19.1
81.03436	6.8
81.07066	31.8
83.08630	35.5
85.10197	4.5
87.04498	3.1
89.06044	42.8
91.05488	23.1
93.07061	22.8
95.04980	6.3
95.08603	14.8
97.02895	3.3
97.06548	6.4
97.10172	12.2
97.38615	2.7
99.00837	13.1
105.07038	15.5
107.05013	5.2
107.08613	14.4
109.02861	7.7
109.06525	7.8
109.10167	11.1
111.08117	3.1
111.11724	6.4
117.07012	4.4
119.08604	11.8
121.06554	8.4
121.10139	9.4
128.06226	3.4
130.30736	3.0
133.08653	28.8
133.10159	37.8
135.11726	4.2
140.72821	3.3
143.08566	5.0
151.11227	14.4
161.09621	22.0
171.08107	3.7
177.11272	11.6
179.10725	7.6
189.09123	5.7
207.10385	3.6
225.11156	16.2
246.38046	3.2
267.16055	3.6
299.14914	100.0
311.25803	91.2
371.22742	12.5
502.29990	3.4
535.36383	63.4
565.91168	7.1
570.40656	4.7
570.57483	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	570.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89977	1.2
53.03938	3.7
54.93546	1.2
55.05516	18.8
57.03435	10.7
57.07084	9.0
67.05515	9.3
69.07071	18.4
69.35564	11.3
71.04982	1.4
71.08629	6.3
75.09526	1.5
78.21863	1.1
78.63944	1.2
79.05507	11.2
81.03422	46.1
81.07072	10.5
83.04969	2.2
83.08624	24.6
85.10178	2.4
89.06042	20.5
91.05479	12.1
93.07040	5.7
95.04963	12.9
95.08591	6.4
97.06551	3.1
97.10145	9.9
105.07061	6.2
107.04944	3.9
107.08582	3.9
109.06541	3.3
109.10171	2.7
111.08084	5.2
111.11731	2.3
112.08817	1.2
117.07058	1.7
119.08591	10.3
121.06542	2.0
121.10145	4.9
129.06996	4.5
131.08545	3.4
133.06503	1.9
133.08635	10.4
133.10146	3.8
135.11705	1.9
145.10153	2.2
147.11682	3.8
149.09624	3.6
157.10167	6.1
175.11140	6.4
177.11218	4.4
193.12257	19.5
207.48784	1.4
237.22153	1.2
249.14920	1.4
267.15936	100.0
311.25809	53.7
353.03195	1.3
371.22888	6.6
373.60971	1.7
439.43097	1.5
451.93747	1.4
488.89749	1.3
503.37381	36.9
504.37408	1.8
570.41162	2.5
570.57806	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	571.0877
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
51.61290	0.7
53.03940	1.2
60.08166	1.6
65.03983	0.7
67.01865	1.6
67.05505	1.4
68.99791	4.0
69.03410	0.9
69.07061	1.2
70.06596	1.9
71.04970	0.8
71.54952	1.3
79.05502	0.8
81.03416	2.6
81.07047	0.9
84.04501	0.8
86.09711	5.0
89.03937	1.0
91.05481	1.4
93.07061	1.1
95.04959	1.0
95.08607	0.9
97.02924	0.7
97.06529	1.7
104.10745	7.8
105.07041	1.2
105.11115	0.9
107.08592	0.7
109.02858	1.1
125.00022	2.7
127.03925	1.0
135.04445	1.6
137.02373	15.2
137.03461	2.1
147.04393	1.7
153.01837	22.3
161.02432	1.0
163.03928	1.2
171.02939	1.5
179.03404	1.8
183.04559	0.9
184.07315	7.9
197.21857	0.7
211.03983	2.4
213.05589	3.5
215.03534	0.7
218.75719	0.7
229.04997	1.1
239.03426	2.9
241.04955	1.3
242.05751	10.6
243.02869	0.8
250.22951	0.8
253.04854	1.1
257.04471	4.4
258.05148	1.7
259.09796	1.0
267.03052	1.6
270.05283	1.8
279.03030	1.2
281.04562	2.2
283.05896	1.0
285.03949	12.6
286.04745	2.8
287.02231	0.8
287.05524	3.3
288.57053	0.9
299.05496	1.2
309.03928	1.2
311.01834	1.7
319.05972	0.9
321.04004	1.0
323.05588	3.1
327.05139	1.6
335.01935	4.0
351.05054	2.2
353.02914	1.1
363.04877	1.0
377.03012	1.8
379.23941	0.7
393.06149	3.0
394.06796	4.2
397.24612	0.9
409.09213	30.1
410.13809	1.2
419.03647	5.0
419.08585	10.7
437.05139	2.1
445.05579	3.2
487.06808	1.5
529.07520	0.9
534.31793	1.0
553.29755	2.3
571.08752	100.0
571.30804	16.8
572.09320	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	571.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40214	0.8
70.06599	4.2
70.99801	0.9
81.03423	1.0
82.99860	2.2
84.04501	1.7
86.99318	0.9
89.00900	0.7
94.99823	1.1
97.02887	1.7
98.97591	1.8
101.00890	14.4
109.02879	1.2
113.00830	4.0
115.02441	2.2
116.07092	2.9
116.98620	0.8
119.01933	21.0
124.81145	0.8
125.00889	0.8
127.02419	3.5
129.00317	0.8
129.10248	1.0
131.01909	9.5
133.03468	4.3
136.62257	0.9
137.02899	1.5
139.02391	1.5
143.01907	29.2
145.03474	15.0
147.01402	2.1
147.05008	0.8
149.02948	1.1
155.01897	19.4
157.03465	8.6
158.99654	1.1
159.05016	1.1
161.02966	24.5
167.01929	11.3
168.99840	4.2
169.03424	4.2
171.01369	2.2
171.05009	3.0
173.02975	21.9
175.04489	2.5
179.01884	5.4
181.03438	1.7
185.02975	45.5
186.03120	1.4
187.00946	3.7
187.03047	1.0
187.04488	6.1
189.02490	1.9
191.04062	2.4
196.99359	1.8
197.02963	16.6
199.00920	3.8
199.04576	1.7
200.07738	1.4
201.02441	3.3
201.07889	1.8
203.04024	10.7
209.02901	1.5
213.02522	1.9
215.00484	4.5
215.03996	9.7
217.01947	3.1
219.03641	2.4
221.05161	2.7
227.03995	9.5
229.02016	2.4
231.03529	4.7
233.04980	1.0
239.03990	1.2
245.05089	100.0
245.11382	2.3
246.05267	2.3
246.08247	2.6
247.02985	4.0
247.08453	2.9
253.01855	1.0
257.05038	6.8
259.03030	2.2
263.06131	11.1
267.69424	0.9
270.08307	1.0
271.02982	2.5
271.08493	1.0
273.04471	1.6
275.02591	4.2
275.06137	13.5
277.03711	0.9
289.04102	10.5
293.07104	3.8
299.02527	1.5
301.03955	3.5
303.05463	1.1
305.07205	10.5
307.05087	8.1
315.05554	1.0
319.05145	4.4
328.60184	0.8
331.05066	3.8
333.06616	1.0
335.08289	3.9
337.05966	1.4
349.06247	9.8
359.04651	3.3
361.06122	2.2
365.09363	15.0
377.05646	3.7
391.07239	4.3
409.08276	2.0
409.13614	1.7
469.10138	1.6
483.12015	1.2
491.92215	0.9
510.48920	0.8
511.11487	2.6
527.12573	2.2
539.10846	3.3
571.11743	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	571.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.0
55.01862	12.7
55.05511	10.2
57.03436	6.7
57.07076	9.7
61.02899	4.3
66.48376	4.3
67.05505	22.7
68.99776	5.4
69.03437	51.2
69.07084	28.7
69.51100	11.6
69.51525	14.6
70.06592	12.8
71.04979	15.6
71.13058	3.9
73.02924	6.6
79.05491	15.9
81.03430	42.4
81.07063	65.8
83.08614	17.2
84.04544	4.0
85.02913	100.0
85.06551	35.1
86.09718	6.2
87.00838	30.8
91.05481	23.8
93.07052	31.5
95.04961	5.8
95.08608	46.6
97.02909	33.9
97.06544	20.5
97.10178	7.6
98.20822	8.2
98.97577	4.0
99.04448	19.6
105.01884	31.5
105.07044	34.0
107.08603	37.9
108.70635	3.7
109.02893	39.1
109.10174	26.7
113.09670	10.0
115.05489	4.9
117.07028	8.9
119.08587	30.9
120.08147	6.7
121.02854	5.2
121.10146	26.9
123.08111	4.4
123.11702	19.6
127.03928	72.9
129.01840	6.1
129.07056	4.9
129.12753	5.9
131.08556	22.2
133.10152	25.5
135.04465	5.6
135.11737	20.5
139.11163	5.6
143.08566	12.3
145.05025	19.9
145.10138	26.7
147.11658	18.5
149.13274	27.8
157.10165	13.7
159.02936	18.5
159.11703	31.3
161.13246	17.2
163.03896	14.8
163.14819	12.1
165.08954	3.6
165.12640	4.5
171.11720	12.3
173.13281	20.6
175.14900	9.9
177.12810	4.6
179.03351	5.2
184.07381	9.6
185.13245	11.5
187.14812	20.5
189.12776	4.7
189.16409	9.4
191.14331	11.8
193.93738	4.5
199.14793	15.5
213.16386	13.1
215.07127	4.3
217.15903	8.9
219.17587	5.1
227.18089	9.7
229.19608	9.7
231.04967	12.4
231.17599	6.6
242.05772	14.5
243.21172	6.9
245.22763	5.9
245.25482	4.3
247.20584	18.8
257.04532	7.3
259.09659	10.3
261.21991	5.1
263.23773	6.8
269.22714	28.2
275.23752	10.8
285.03937	11.0
286.04587	4.0
287.23676	56.9
302.94998	4.5
305.24799	46.5
323.25873	40.1
409.09128	49.1
571.20117	6.8
571.30640	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	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02701	2.9
53.03941	13.7
55.01877	12.9
55.05505	14.0
57.03432	6.9
57.07080	5.0
61.02931	9.5
67.05512	23.9
69.03441	49.9
69.07076	31.3
70.06591	4.7
71.05003	16.5
71.55207	4.9
73.02914	8.1
75.04522	2.9
79.05511	26.9
81.03428	49.9
81.07060	57.3
83.04984	6.8
83.08620	19.0
84.08167	5.6
85.02916	100.0
85.06548	29.8
85.70413	3.2
86.09723	3.7
87.00842	37.2
91.05492	24.6
93.07066	25.9
94.36700	3.6
95.04980	6.2
95.08622	40.1
97.02904	33.1
97.06551	21.4
97.10181	6.3
98.56525	3.6
99.04454	22.3
105.01872	26.2
105.07047	35.9
107.04931	3.8
107.08610	39.1
109.02888	41.8
109.10173	27.0
111.04413	4.3
111.08141	4.0
111.11779	5.0
113.09653	8.3
115.05475	4.1
115.88191	3.2
117.01849	4.9
117.07017	11.4
119.08598	36.3
121.10143	31.7
123.08067	3.7
123.11721	11.1
125.09632	3.8
127.03929	71.6
128.06169	3.9
129.01814	3.3
129.06978	8.1
131.08560	26.2
133.10147	26.9
135.04439	3.7
135.08118	4.8
135.11700	19.9
137.09605	4.8
137.13298	8.5
139.11215	5.9
143.08591	11.3
145.04970	19.8
145.10133	26.9
147.04399	7.2
147.11682	21.9
149.13278	20.9
153.96552	3.8
157.10146	16.3
159.02936	19.4
159.09291	4.1
159.11705	26.2
161.13193	15.6
163.03918	11.2
163.14812	11.7
171.11746	10.4
173.13234	21.4
175.11238	3.5
175.14902	9.6
177.12791	3.8
177.16324	3.2
179.14297	4.5
185.13268	11.8
187.14819	16.2
189.16397	7.1
191.14328	12.6
193.16019	5.2
199.14816	13.8
201.16464	8.1
205.15981	7.4
213.16371	10.2
227.18030	5.5
229.19504	13.4
231.05013	11.2
231.17406	4.5
243.21172	6.6
245.18988	5.6
245.22815	4.1
247.20587	17.0
259.09610	5.3
263.23749	14.4
269.22681	27.9
275.23706	6.7
282.09543	4.2
287.23718	61.0
305.24808	49.8
323.25897	28.4
535.28961	6.7
553.19189	5.7
553.30426	4.5
571.20508	39.9
571.29834	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	571.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32055	0.5
55.01876	1.2
55.05521	9.2
56.05042	6.0
56.96554	0.6
57.03435	1.1
57.07079	1.0
60.28410	0.4
67.05516	4.4
69.03445	0.6
69.07077	9.5
70.06613	2.9
71.04994	1.0
71.07380	1.2
71.08649	0.7
71.56092	0.8
72.08169	7.9
79.05499	3.7
81.03419	0.9
81.06585	0.6
81.07067	8.8
82.06593	0.5
83.05000	0.9
83.07373	1.0
83.08633	5.8
84.04517	58.0
84.08124	0.7
85.02916	1.9
85.06554	0.8
85.78582	0.4
86.06080	100.0
87.06398	0.5
91.05493	1.8
93.07057	5.3
95.04965	0.6
95.08620	3.1
96.08147	2.8
97.06545	3.8
97.10197	1.0
98.06074	1.1
98.09707	14.8
98.97588	1.1
99.03893	0.5
99.04446	2.4
100.07645	1.0
101.06027	0.5
102.05557	28.0
105.07050	1.2
107.08614	4.0
108.08136	1.4
109.10169	1.4
110.09716	0.8
111.08101	1.7
112.99178	0.5
114.09161	0.9
116.10747	88.0
117.11085	0.5
121.10155	2.0
122.09693	1.5
123.11761	0.9
124.07677	0.7
129.74397	0.4
130.05023	21.1
131.08578	0.8
133.10184	0.6
135.11771	1.0
139.11136	0.5
140.10695	0.8
142.08682	0.6
147.11700	0.8
148.06105	3.7
149.13293	7.5
156.06601	0.5
158.11867	0.8
159.10356	0.5
159.11642	0.9
162.12854	0.5
163.03952	1.2
166.15973	2.0
167.14270	2.1
174.07683	0.8
194.15477	0.6
195.13715	0.5
212.16479	5.3
225.41986	0.4
230.17531	1.3
231.15932	4.6
238.18060	1.3
239.16447	3.2
243.19458	0.6
257.17557	1.7
259.09744	0.6
292.22729	1.5
296.18658	1.3
309.25293	0.8
310.23816	10.1
328.25052	1.4
342.19254	0.6
372.23917	1.3
411.29037	0.6
414.24734	0.5
439.28137	12.6
457.29147	88.0
458.29483	1.5
553.35480	2.6
571.20361	1.4
571.27966	0.7
571.36353	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	571.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
55.05513	9.9
55.33984	0.8
56.05040	5.1
56.96568	1.6
57.03437	1.7
57.07097	1.1
62.06089	0.8
62.91169	1.0
67.05517	6.3
69.03437	1.1
69.07079	13.0
69.26689	7.0
70.06587	4.3
71.04995	1.5
71.07379	1.3
72.08160	5.8
73.02903	1.2
73.06541	1.1
79.05494	6.6
81.03410	2.5
81.07059	10.2
83.08635	5.2
84.04511	60.3
85.02901	3.5
85.06544	1.5
86.06075	100.0
91.05482	2.2
93.07037	5.7
95.04958	1.2
95.08599	4.7
96.08128	7.3
97.02875	1.0
97.06539	6.7
97.10174	1.8
98.06078	1.4
98.09698	18.3
98.21502	1.8
99.04443	3.7
100.07616	0.8
102.05550	26.6
105.07014	1.4
107.08575	4.5
108.08137	1.4
108.30333	0.8
109.02871	1.0
109.10163	2.8
110.09674	1.3
111.08083	2.2
114.09226	1.2
115.07552	1.2
116.10740	95.3
117.07043	1.2
119.08577	1.5
121.10122	1.9
122.09680	2.0
123.11703	1.5
124.07568	1.3
125.09618	1.0
127.03950	1.2
130.05014	17.0
131.08598	1.0
133.10118	1.8
135.11649	0.9
135.29189	0.8
136.11224	0.9
138.09093	1.6
140.10756	1.0
142.08658	8.7
145.10197	1.0
147.04398	1.0
148.06042	2.5
149.13246	5.5
151.11197	1.1
157.92941	0.8
159.11697	1.3
163.03960	4.3
166.15930	2.7
167.14301	1.8
174.07556	0.7
182.91716	0.7
194.15335	0.9
212.16481	30.0
229.07530	1.7
230.17525	31.3
231.15935	3.3
238.18042	2.3
239.16423	3.1
247.08409	0.8
257.17328	2.1
259.09698	3.8
292.22839	2.0
296.18777	1.2
310.23843	8.9
342.19296	0.9
358.65833	0.9
372.23761	0.8
432.03488	2.2
439.28119	10.7
457.29114	84.1
458.29495	0.9
462.95187	1.0
471.32477	0.8
553.34802	7.3
571.20404	2.2
571.27887	1.4
571.36304	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	572.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01878	11.0
55.05517	49.4
57.03445	17.7
57.07084	20.1
59.19485	2.1
60.65250	2.4
62.71146	2.1
67.05511	33.0
69.07076	55.5
70.67133	5.1
70.67533	3.7
71.01372	4.2
71.04995	8.4
71.08651	12.5
73.02920	2.2
76.47143	1.9
77.55631	2.1
79.05505	35.4
81.03420	26.5
81.07063	28.6
83.01369	3.4
83.04996	14.2
83.08627	47.9
85.02916	5.0
85.10192	5.2
88.63738	2.2
89.06028	2.6
91.05482	17.9
93.07054	32.2
95.04980	6.3
95.08632	18.5
97.02899	12.7
97.06533	10.0
97.10177	28.6
98.96828	2.2
105.07083	10.8
107.04980	13.8
107.08604	17.8
109.06541	5.2
109.10185	12.2
111.04469	7.1
111.08105	3.7
111.11757	8.0
117.07064	10.5
119.08592	11.0
121.06521	5.1
121.10165	15.9
122.44085	2.4
123.08090	8.9
123.11692	2.5
123.60117	2.3
125.09640	3.0
129.07022	4.4
131.08597	7.6
133.10155	3.4
135.08090	4.6
135.11717	21.2
137.09628	2.5
145.10153	19.4
147.08105	3.0
149.09766	2.3
153.12744	13.2
155.08554	2.8
157.55331	2.1
163.11206	34.9
173.09647	7.8
181.12283	9.8
191.10719	11.2
196.65735	2.7
209.11760	27.5
227.12796	14.9
230.84567	2.5
262.25165	3.2
265.14395	8.9
283.15369	25.9
301.16507	62.9
311.25824	100.0
402.55740	2.5
501.35730	6.0
519.36816	26.3
537.37952	79.1
572.47449	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	573.3037
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.46191	0.7
55.05506	3.6
57.03439	4.2
57.07079	27.4
67.03350	0.8
67.05522	7.5
69.07067	5.5
71.08638	19.7
79.05495	3.1
81.03411	4.0
81.07067	10.0
83.04956	1.1
83.08624	6.6
85.10181	9.5
91.05492	2.3
93.07043	3.1
95.08613	11.5
97.10164	3.4
98.21498	2.6
98.98473	28.4
99.04471	0.8
99.11792	0.9
105.07014	1.4
109.02873	2.9
109.10152	6.2
111.36938	0.8
121.10091	1.0
123.11709	2.7
125.13271	1.0
131.08578	1.0
155.01056	26.0
170.35544	0.8
173.02136	2.5
178.09682	0.8
239.23726	5.0
256.26294	6.3
261.03696	1.6
313.27383	100.0
314.27728	1.6
317.06284	2.9
335.07202	3.3
393.24182	3.9
401.29071	3.6
537.28424	3.0
573.41022	1.4
573.48907	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	574.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05301	2.8
55.05517	25.6
57.03434	16.7
57.07079	14.9
67.05510	11.8
69.07076	23.5
69.31670	10.0
69.32095	14.9
69.51452	2.5
71.08623	7.3
77.78630	2.7
79.05505	10.2
81.02979	5.6
81.03420	56.9
81.07068	10.6
83.04964	3.5
83.08624	30.8
86.82067	3.0
87.04478	19.2
91.05492	12.4
93.07037	14.2
95.04969	15.2
95.08618	11.8
97.06561	3.9
97.10163	12.0
105.07060	9.0
109.06533	4.7
109.10162	6.2
111.08116	4.3
119.08598	8.2
121.10133	5.0
129.07018	7.9
131.08604	6.2
140.95506	3.2
149.09680	4.5
157.10155	5.8
163.11253	3.2
175.11208	6.5
193.12245	20.2
267.15936	100.0
311.25842	53.3
364.85040	3.1
488.38434	3.0
492.80701	3.2
503.37323	35.8
511.01385	3.2
574.38348	5.4
574.49292	3.8
600.37024	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	574.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.05510	19.3
57.03439	10.0
57.07076	14.2
67.05506	16.9
69.03383	2.5
69.07077	22.6
69.22162	8.6
69.22580	16.9
71.08624	8.2
71.92092	2.6
79.05495	11.6
79.60659	2.4
81.02982	5.0
81.03421	57.4
81.03862	4.8
81.07072	21.0
83.04956	3.3
83.08616	24.2
84.52446	2.8
87.04488	30.9
91.05469	14.9
93.07044	11.8
95.04976	15.5
95.08615	10.3
97.06564	4.3
97.10171	13.2
100.21511	3.0
104.85146	2.4
105.07029	8.7
107.04991	5.7
107.08619	7.9
109.10159	7.2
111.08104	5.0
111.11738	4.2
111.27683	3.2
119.08580	8.4
119.57574	2.5
121.06499	4.0
121.10140	9.1
129.07025	9.1
131.08583	6.6
133.06493	3.0
133.10138	5.6
135.11697	2.7
145.10228	4.9
147.08118	3.0
147.11655	5.1
149.09668	3.8
157.10124	8.3
175.11203	5.2
193.12245	17.3
229.73039	2.8
267.15936	100.0
311.25815	58.4
409.13748	2.6
503.37427	35.5
511.21878	3.1
574.39539	6.1
574.48456	8.6
587.59290	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	574.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01852	1.9
55.05514	13.3
57.03436	3.1
57.06826	2.2
57.07084	35.0
67.05511	45.7
69.07082	13.7
70.75105	4.4
71.04998	19.1
71.08637	26.4
79.05512	12.2
81.07066	77.2
83.04990	2.7
83.08617	10.7
83.96807	1.6
85.06549	4.7
85.10191	12.7
87.04469	18.1
90.71820	1.6
91.05486	16.8
92.99344	2.0
93.07042	14.3
95.04979	2.4
95.08612	26.4
96.08939	2.1
97.06513	2.5
97.10168	5.8
99.11796	1.6
105.07035	8.3
107.08613	8.6
109.10162	12.6
119.08595	3.2
121.10162	4.5
122.10519	1.6
123.11713	13.4
131.08586	3.7
133.10141	9.2
135.11667	3.2
137.13290	1.9
149.13263	3.8
151.11183	5.2
159.11671	3.9
167.14006	1.9
183.13716	2.2
187.13271	3.0
191.10715	2.6
239.23625	3.2
269.17456	7.3
301.20105	22.0
313.27371	28.4
373.27100	2.5
442.11188	1.8
481.38956	100.0
495.40384	4.7
507.40433	4.0
539.43140	50.1
574.49304	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	575.613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	36.0
57.03442	3.1
57.07079	75.6
65.03941	3.0
67.05508	66.3
68.05848	5.2
69.06726	4.0
69.07076	55.7
70.01827	2.4
71.04977	3.2
71.08284	3.7
71.08637	51.1
71.55367	3.2
79.05497	20.7
81.06580	5.4
81.07059	100.0
82.07397	5.5
83.08628	43.7
85.10182	25.7
87.04456	8.0
91.05484	10.2
92.05816	3.2
93.07050	17.2
95.08614	96.8
96.08885	2.4
97.10172	37.8
99.11704	2.8
105.07029	8.4
107.08579	9.7
109.10155	49.5
111.11721	25.8
114.94398	2.2
119.08598	6.7
121.10157	5.9
123.11732	27.0
123.49444	2.4
125.13268	8.7
133.10130	7.1
135.11671	5.2
137.13255	9.4
139.14894	3.1
149.13217	2.7
151.14862	5.2
163.14851	3.4
165.16367	3.3
239.23665	4.9
263.23651	7.6
285.51013	2.8
301.20255	4.8
302.20383	3.6
313.27283	4.3
314.27762	6.5
374.27841	2.9
391.32236	2.3
426.15048	2.4
482.39230	37.1
540.43365	17.0
557.60400	5.0
575.41199	8.3
575.50195	63.0
575.60596	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	576.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01865	9.6
55.05521	26.3
56.96562	3.9
57.03445	18.7
61.02930	4.4
65.03932	5.6
67.05515	43.9
69.03440	5.9
69.07059	10.0
71.04999	3.0
71.55377	3.7
71.62511	2.6
79.05122	3.4
79.05502	34.9
81.03429	75.4
81.07069	41.5
82.07381	5.2
83.04973	11.7
83.08637	24.5
85.02910	5.1
87.53154	2.7
91.05493	49.1
93.07063	30.6
95.04974	30.5
95.08607	20.7
97.02911	6.7
97.06528	11.1
97.10199	14.4
99.00816	9.0
99.08102	3.5
105.07049	33.0
107.04997	15.8
107.08618	15.4
109.02845	7.7
109.06517	11.7
109.10153	9.0
111.04444	6.1
111.08060	7.9
117.07011	9.6
119.08600	25.5
121.06499	13.8
121.10152	14.4
123.08086	5.3
123.11732	3.7
125.09638	8.9
129.07008	13.7
131.04976	3.0
131.08572	13.4
133.06480	8.7
133.10141	25.1
135.08061	5.8
135.11658	4.9
137.09679	5.2
142.07669	3.6
143.08574	10.7
145.06487	5.8
145.10149	7.2
146.10420	4.1
147.04417	8.5
147.08093	4.6
147.11659	11.5
149.09607	7.4
151.11223	6.7
157.10170	14.4
161.09689	14.0
163.11189	7.6
171.08017	7.1
171.11665	3.0
175.11217	7.2
177.12901	3.4
179.10704	4.2
183.11639	3.4
189.09082	5.9
189.11169	6.9
193.12254	25.3
195.11684	3.3
209.11647	4.0
211.13313	7.6
219.13786	8.4
225.11136	9.5
227.12692	5.0
267.15936	100.0
268.16260	3.9
273.18274	4.1
283.15378	11.7
285.16937	4.3
291.19574	4.5
292.19998	3.7
299.14905	54.4
367.22559	4.0
385.23633	5.7
403.24796	3.8
406.65250	3.0
443.82687	2.9
445.25943	7.9
459.27496	22.4
466.30484	3.6
473.25317	11.2
477.28391	21.2
484.31488	6.6
491.26294	46.2
558.34698	11.7
576.36615	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	576.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.6
57.03433	13.4
57.07082	33.3
61.13776	3.2
67.05503	16.1
69.07059	9.9
70.58673	5.6
70.59059	5.3
71.08633	20.2
79.05479	11.0
81.03421	60.7
81.07063	20.4
83.08629	23.0
85.10169	10.2
91.05486	12.8
93.07038	8.6
93.64780	2.8
95.04968	14.4
95.08614	19.2
97.06567	3.2
97.10198	4.9
102.51630	3.2
105.07028	8.5
107.21762	3.1
108.54568	3.1
109.10141	8.1
111.08055	4.0
119.08582	9.6
121.06439	3.6
123.11760	4.1
129.07022	10.3
129.45027	2.8
131.08548	3.7
133.10063	4.0
136.14151	2.9
147.11742	4.1
157.10107	6.2
175.11159	4.7
191.11136	3.1
193.12273	19.4
267.15909	100.0
286.36118	3.2
313.27359	79.7
505.38904	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.9
57.03424	11.6
57.07081	25.4
63.89202	2.7
65.68948	2.6
67.05506	13.9
69.18333	32.1
71.08641	24.0
72.97479	3.0
74.74456	3.2
75.04446	3.1
79.05502	6.1
81.02989	3.6
81.03430	53.8
81.07036	12.3
82.66639	3.1
83.08643	16.0
85.10169	6.9
91.05488	11.1
95.04975	14.5
95.08605	16.5
95.72192	2.8
97.10185	3.7
103.33415	3.0
105.07043	6.3
107.04953	6.4
109.10179	5.2
119.08598	9.7
129.07004	4.5
146.33295	3.5
147.11678	3.1
157.10153	6.2
175.11186	6.0
193.12285	21.7
262.22913	2.9
267.15945	100.0
310.16074	2.9
313.27393	95.9
362.06015	3.4
505.38956	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1917
Annotation	5'-demethoxy-6-methoxypodophyllotoxin 7-glucoside
Peak:m/z	Relative Intensity
55.05476	0.6
56.96539	0.5
57.03417	0.4
61.02892	0.5
67.05456	1.0
69.03419	0.5
69.07037	0.7
70.59360	0.8
79.05438	1.0
81.03416	0.5
81.07079	1.9
82.65207	0.3
85.02860	0.6
91.05447	0.8
95.08560	0.9
97.06522	2.4
99.66346	0.4
105.07001	0.6
109.10149	0.5
119.04909	0.7
135.04369	0.6
145.02827	0.4
147.04419	1.9
153.01848	1.9
177.05435	0.7
181.38222	0.4
229.04898	0.8
249.09077	0.6
257.04471	17.0
258.05219	3.3
259.05981	0.5
286.04779	10.7
287.05511	44.4
297.04181	0.4
313.07031	0.9
331.01147	0.4
339.08817	0.5
355.12189	0.4
367.17914	0.9
383.11264	63.8
384.11746	0.7
385.11057	0.5
415.13898	100.0
416.14471	0.7
550.24841	0.4
577.19324	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	577.1923
Annotation	5'-demethoxy-6-methoxypodophyllotoxin 7-glucoside
Peak:m/z	Relative Intensity
55.01857	0.2
55.05506	0.2
61.48354	0.1
67.05494	0.4
69.07048	0.3
71.08648	0.2
76.02242	0.2
79.05483	0.3
81.03423	0.3
81.07043	0.2
82.89362	0.1
83.04942	0.2
83.08616	0.1
84.04489	0.3
85.02886	0.3
90.85934	0.1
91.05486	0.3
93.07015	0.3
95.04967	0.1
95.08575	0.1
97.06539	0.8
106.95576	0.2
109.10133	0.2
119.08479	0.2
122.02731	0.4
135.04420	0.3
147.04413	0.3
152.70750	0.1
153.01855	1.1
163.03865	0.4
203.03416	0.5
228.10475	0.7
229.05042	1.0
229.61906	0.2
242.05676	0.3
251.06964	0.3
257.04477	35.0
258.05252	3.9
259.05939	0.4
267.16449	0.2
270.05188	0.2
271.05899	0.2
285.03931	0.7
286.04749	13.1
287.05524	13.4
297.07635	0.4
313.06863	0.2
325.07059	0.5
339.08701	0.2
383.11276	85.3
384.11475	1.2
412.21326	0.3
415.13907	100.0
416.14288	1.2
430.22717	0.4
501.64114	0.2
577.19177	2.1
577.27527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58529	0.5
55.05522	1.2
56.05045	0.8
56.96576	0.5
61.01155	16.1
65.03939	0.5
69.03426	0.9
70.06599	66.9
71.55459	0.6
72.08162	8.4
81.03445	1.3
83.04987	0.7
83.06102	4.5
84.04038	0.9
84.04511	13.4
84.08153	1.0
85.02911	1.1
86.09726	1.3
91.05458	0.7
97.06543	1.0
99.04443	0.7
101.07145	6.9
101.33167	0.5
107.08584	0.5
109.02892	1.2
112.04042	0.6
117.03762	0.7
118.06891	100.0
119.04967	0.7
120.08130	3.2
120.08828	0.5
121.02875	6.9
127.03910	1.3
129.06615	5.1
132.08113	0.8
135.04453	1.0
138.09148	5.0
139.03894	0.8
144.08080	1.0
146.06026	5.6
151.03896	4.3
153.01848	2.1
153.10281	0.7
155.11838	2.1
157.06139	2.3
159.08015	0.8
159.09181	2.5
163.03929	1.8
163.09021	14.2
167.03423	4.2
167.07133	0.6
170.06148	0.8
171.04469	0.7
182.12927	5.9
183.11296	7.8
188.07086	14.3
188.14986	0.5
200.13966	5.2
205.09753	7.9
206.05707	0.5
210.12480	1.2
211.10768	0.6
228.13419	4.2
243.08043	1.8
246.12770	10.0
259.10059	0.5
269.08173	0.8
274.12219	48.5
280.54367	0.5
297.04196	0.7
297.11221	1.9
300.06430	0.7
301.07104	1.4
304.16562	5.9
311.05490	1.3
323.05441	1.5
325.07065	6.0
327.12485	0.7
338.07898	1.8
339.08493	1.2
345.19553	1.3
351.04947	0.8
353.06580	0.6
353.10214	2.6
356.16516	0.8
359.23492	0.5
369.13382	1.6
371.11093	1.1
371.15225	0.8
373.19061	28.7
397.07657	0.9
397.12866	22.3
414.21423	3.7
415.14041	44.5
416.14539	0.9
432.22595	2.2
554.58307	0.6
560.25232	2.7
577.19403	2.4
577.28192	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	577.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
55.01872	9.4
55.05263	4.0
55.05514	52.6
57.03438	10.3
65.03949	4.9
67.05173	5.4
67.05511	88.1
67.60640	3.3
69.03424	7.8
69.07069	27.2
70.72302	3.9
70.72628	7.6
71.04992	4.2
79.05498	58.1
81.03436	6.7
81.07064	100.0
83.04993	9.9
83.08622	24.4
85.06505	4.1
91.05490	54.8
93.07053	76.3
95.04984	9.5
95.08612	62.7
97.06521	6.8
97.10170	25.1
97.41173	3.1
99.00828	8.4
105.07037	46.5
107.04964	7.0
107.08601	55.2
109.02885	11.3
109.06550	5.0
109.10164	36.2
111.04451	6.2
111.08078	7.5
111.52776	3.2
117.07003	16.8
119.08586	33.1
121.06522	8.6
121.10144	28.0
123.04422	4.2
123.08045	4.3
123.11725	17.8
123.89177	3.1
125.09627	26.0
128.06244	4.1
129.06979	7.9
131.08592	23.5
133.10135	46.5
134.67538	3.4
135.08070	3.7
135.11700	24.0
137.09642	4.4
137.13293	5.4
141.06992	3.8
143.08585	13.1
145.06485	3.5
145.10159	25.5
147.11694	16.6
149.02368	7.3
149.09662	8.5
149.13284	12.1
151.11208	10.8
151.27411	3.6
153.12744	4.8
155.08554	6.0
157.10109	12.8
159.11702	15.1
161.09644	9.3
161.13272	13.0
163.11189	12.3
163.14822	8.7
165.09122	3.2
169.10124	6.1
171.11748	9.3
173.13304	12.3
175.14839	4.0
179.10698	7.0
183.11736	6.0
185.13371	4.5
187.14812	4.5
189.09160	3.7
189.11252	9.1
193.05011	5.1
195.11732	3.7
197.13278	4.9
199.14856	4.6
209.11755	4.3
211.14798	4.0
213.22591	3.2
225.11292	9.5
227.12825	14.8
245.13988	5.3
259.20691	5.2
261.22150	30.9
277.21692	12.5
278.32004	3.4
279.23416	6.4
281.13831	6.4
283.15372	7.9
287.23764	5.9
290.30325	3.3
299.14890	26.5
315.23163	12.3
333.24561	4.9
335.25928	24.4
351.25330	6.5
353.13876	3.3
421.31067	9.3
439.32043	9.6
449.30475	12.9
457.33255	3.9
467.31583	25.0
485.32535	21.0
513.36322	15.3
515.37042	5.5
531.36859	20.0
541.35266	54.5
549.37970	4.4
559.36267	58.1
577.12653	4.1
577.37531	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32038	3.1
53.00287	2.7
53.03945	8.4
55.01869	7.0
55.05515	48.9
57.03435	10.3
57.07065	7.1
59.04987	3.2
65.03954	3.4
67.05509	98.5
69.03430	5.8
69.07078	24.6
71.04967	7.7
71.08643	5.7
73.07345	2.5
77.14877	2.5
78.59677	2.6
79.05499	62.2
81.03432	4.7
81.07060	100.0
81.60575	2.9
83.04961	7.5
83.08628	29.5
85.06532	5.5
90.82845	2.7
91.05490	51.5
91.35434	2.4
93.07047	67.5
95.04986	9.9
95.08615	62.3
97.02945	3.2
97.06538	6.8
97.10173	35.8
98.21489	8.4
99.00833	4.9
103.05490	3.5
103.24348	2.8
105.06369	5.2
105.07034	53.4
107.04950	7.8
107.08598	51.3
109.02885	11.0
109.06483	6.1
109.10158	33.8
111.08083	9.4
117.06995	18.0
119.08579	33.4
121.06541	4.8
121.10147	36.6
123.08089	5.3
123.11738	14.1
125.09637	21.9
128.06181	4.1
129.07010	12.8
131.08582	31.1
133.10123	40.5
135.08055	10.4
135.11694	21.7
137.09656	4.1
137.13255	5.1
143.08621	16.4
145.06490	3.1
145.10129	22.1
147.11699	17.1
149.09624	7.9
149.13283	8.9
151.11182	9.4
153.12840	3.2
155.08519	5.0
157.10167	10.1
159.11690	20.8
161.09608	14.1
161.13272	10.9
163.11238	5.7
163.14777	4.1
169.10147	6.5
171.11711	10.4
173.13275	15.4
175.11261	4.3
175.14865	5.3
179.10689	3.8
179.14288	4.5
180.09485	2.8
181.12254	3.3
181.30438	3.3
183.11726	6.3
185.13264	6.9
187.14795	7.0
189.09244	5.9
189.11270	8.0
195.11633	2.6
195.13824	4.3
197.13292	3.7
199.14861	5.9
201.16470	4.2
211.14885	6.5
213.16423	3.2
225.11208	13.3
227.12819	18.0
243.21133	7.0
245.13901	3.6
259.20776	4.1
261.22180	27.4
277.21738	9.2
279.23209	7.1
281.13861	4.6
283.15521	5.9
287.23679	5.7
289.21576	4.5
297.22076	4.2
299.14932	18.1
301.25229	8.0
313.21475	3.6
315.23102	11.4
317.24731	5.5
333.24377	5.9
335.25824	20.6
403.29816	4.1
421.31046	6.8
435.32651	3.2
439.31921	3.8
449.30530	9.2
467.31451	15.9
485.32748	16.7
501.35712	4.0
513.35638	14.6
515.36719	3.7
519.37097	13.3
523.33789	4.4
527.37305	17.4
531.36774	8.5
541.35187	33.6
545.38312	16.1
559.36017	41.0
577.40094	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	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.7
55.01863	9.4
55.05515	46.0
57.03429	11.9
57.07072	4.8
61.34083	3.2
65.03932	7.6
67.05511	100.0
69.03421	4.8
69.07075	27.6
69.38033	6.2
69.38432	25.1
71.04990	7.5
71.08624	4.0
71.46097	3.1
79.05499	65.6
81.03410	8.0
81.06586	5.4
81.07066	98.5
83.04983	10.8
83.08635	22.4
85.02882	4.2
85.06553	5.3
90.95412	3.7
91.05477	51.6
93.07050	81.5
95.04977	11.6
95.08618	66.9
97.02894	4.1
97.06528	11.8
97.10195	25.1
98.20727	6.8
99.00813	9.3
99.08102	4.8
105.07040	57.3
107.04932	12.9
107.08606	44.4
109.02870	13.3
109.10168	49.1
111.04420	5.5
111.08070	7.7
117.07041	20.7
119.08599	39.8
121.06526	6.7
121.10142	24.3
123.08087	3.9
123.11694	17.8
125.09646	20.5
129.07008	8.4
131.08582	26.8
133.06479	5.3
133.10149	49.0
135.08026	8.6
135.11711	26.3
135.47005	3.9
137.09677	4.8
137.13261	7.1
139.07614	3.9
141.06946	3.6
143.08551	13.0
145.10121	23.3
147.08105	4.9
147.11699	17.0
149.02327	5.6
149.09677	7.1
149.13242	10.6
150.37123	3.5
151.11172	12.9
155.08479	4.1
157.10156	13.6
159.11737	20.2
161.09618	15.7
161.13248	10.6
163.11179	12.2
163.14919	4.5
167.10623	3.6
169.10139	9.1
171.08063	3.9
171.11690	10.0
173.09627	4.0
173.13254	13.2
175.14919	5.8
179.10736	6.0
180.13412	3.3
181.12323	7.7
183.11702	5.5
185.13275	8.3
187.14838	7.4
189.09117	9.6
189.11165	10.8
197.13286	5.0
207.10123	4.6
209.11687	4.8
213.16418	4.0
223.14755	5.3
225.11241	14.0
227.12799	21.0
241.19531	5.0
243.21097	6.1
259.20618	10.4
261.22131	31.6
277.21579	9.0
279.23193	8.7
281.13763	3.9
283.15363	9.5
287.23550	7.1
295.22809	3.8
299.14920	27.8
315.23203	12.4
317.24890	6.4
333.23990	4.6
335.25885	24.4
351.25403	4.0
364.72165	3.8
403.30096	5.3
421.30899	5.7
431.29953	3.8
439.32040	3.9
449.30417	8.7
457.33020	5.4
467.31665	27.3
485.32678	18.0
513.35718	18.8
515.37335	5.5
531.36676	15.5
541.35370	50.9
559.36377	54.9
577.38287	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	577.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.8
55.01854	8.4
55.05267	4.6
55.05514	53.5
57.03421	10.8
57.07074	6.2
65.03922	5.8
67.05507	100.0
69.07067	27.9
69.27502	17.4
71.04988	7.6
71.08618	4.4
73.97321	2.6
79.05497	71.1
81.03400	7.0
81.07060	90.9
83.04983	10.2
83.08617	25.2
85.06553	5.4
91.05485	52.3
93.06475	4.0
93.07047	54.1
95.04977	10.4
95.08611	67.3
97.02863	3.2
97.06514	10.2
97.10181	24.0
98.21516	6.1
99.00814	5.2
99.08068	4.2
105.07039	48.0
107.04937	11.6
107.08591	43.9
109.02860	9.8
109.06528	6.4
109.10164	44.4
111.04465	4.0
111.08063	7.8
117.07026	22.3
119.08591	27.8
121.06527	5.7
121.10162	27.5
123.11707	17.2
124.87682	2.4
125.09632	26.0
129.06973	11.9
131.08553	29.4
133.10130	49.1
135.08073	7.7
135.11716	20.8
137.09618	3.8
137.13226	6.0
143.08572	14.6
145.10136	20.7
147.08015	6.3
147.11714	13.0
149.09560	4.3
149.13251	13.8
151.11185	11.0
153.12732	3.2
155.08589	6.2
157.10120	9.9
159.08092	3.8
159.11699	17.1
161.09648	14.4
161.13249	9.2
163.11185	6.8
163.14809	4.1
165.09152	2.7
169.10135	7.3
171.08070	5.3
171.11737	6.3
173.13254	10.6
175.11058	2.9
175.14839	4.0
179.10747	3.2
179.14366	5.4
181.10153	3.3
181.12256	5.2
183.11697	6.5
185.13231	9.5
187.14821	7.7
189.09148	7.6
189.11227	14.7
189.12701	3.2
195.11703	3.6
199.14813	5.1
209.13185	4.1
209.15199	3.2
209.49620	2.6
213.16418	3.4
215.12682	3.9
225.11163	10.8
227.12775	24.4
243.12308	4.5
243.21248	2.7
245.13756	4.2
259.20496	7.6
261.22107	24.8
271.20731	3.0
277.21616	10.1
279.23227	5.7
281.13699	4.0
283.15274	5.1
287.23672	5.3
299.14902	26.5
315.23108	11.4
317.24716	4.1
333.24319	5.8
335.25809	24.0
398.27130	3.1
403.72272	3.2
421.30759	4.0
431.29312	3.9
435.32349	5.5
439.32001	6.0
449.30386	9.6
453.33701	3.5
457.32928	5.0
463.33936	2.9
467.31653	15.8
479.02396	2.9
485.32596	17.6
495.34027	3.4
501.35376	4.2
513.35901	12.4
519.36731	11.2
527.37067	11.6
531.36694	13.1
541.35199	34.7
545.38568	13.1
559.35883	39.2
577.24225	3.5
577.37750	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
53.03943	9.1
55.01878	6.5
55.05514	35.4
57.03438	15.1
57.07070	6.7
59.04999	2.5
65.03940	5.9
67.05508	100.0
69.07071	27.8
71.01350	2.6
71.05008	13.3
71.08620	5.6
72.20780	2.8
73.82727	3.1
79.05500	63.5
81.03419	22.1
81.07062	91.7
83.04972	12.2
83.08635	21.4
85.02894	3.1
85.06542	8.6
91.05486	55.7
93.07050	71.8
95.04978	19.7
95.08614	61.1
97.02935	3.3
97.06528	10.9
97.10171	17.5
98.21600	6.7
99.08093	8.0
103.05464	2.7
105.07034	51.7
107.04958	8.0
107.08598	49.1
109.06539	7.8
109.10152	38.8
111.08096	4.3
115.05440	3.1
117.07021	22.6
119.08577	41.2
121.06476	4.5
121.10150	38.2
123.08070	10.4
123.11720	10.9
125.09621	13.8
128.06233	3.3
129.07022	12.5
130.07811	3.8
131.08568	29.3
133.06502	2.7
133.10129	32.8
135.08057	4.7
135.11690	20.3
137.09668	3.1
137.13228	3.1
141.07004	4.1
142.07782	3.3
143.08591	13.7
145.10139	29.7
147.07994	3.8
147.11707	23.0
149.09666	6.4
149.13269	10.9
151.11192	5.0
155.08528	7.5
157.10101	14.6
159.08078	3.6
159.11720	17.0
161.09636	5.1
161.13269	12.2
163.11172	5.8
163.14792	4.6
165.12814	5.2
169.10118	8.3
171.10378	2.7
171.11678	13.6
173.11919	4.2
173.13150	13.5
175.11177	5.9
175.14854	7.5
177.12827	4.6
179.14388	6.0
181.12302	3.1
183.11662	8.0
184.12410	3.2
185.13271	7.2
187.14844	6.8
189.11247	5.5
189.12808	4.1
193.12276	10.8
195.11671	2.6
197.13252	6.8
199.14803	4.3
211.13281	3.4
225.11118	4.5
227.12842	15.4
243.21025	5.8
259.20462	6.2
261.22214	16.2
267.15909	20.5
271.33115	2.6
275.20221	3.2
277.21597	7.5
287.23389	2.8
293.21124	13.1
299.14981	7.2
301.21924	3.1
301.25308	7.5
309.22064	2.9
315.23254	6.3
317.24823	4.5
335.25928	13.6
363.25488	3.3
417.31653	3.6
435.32602	10.6
453.33835	15.8
467.32037	3.2
471.34891	3.6
485.32593	3.2
501.35767	2.9
509.36450	4.5
527.37439	41.0
541.35248	8.1
545.38428	35.1
559.35590	13.5
577.37701	24.4
577.49255	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01871	6.9
55.05512	37.1
57.03438	13.5
57.07074	5.9
58.80552	2.6
59.04996	5.5
59.58372	2.6
61.57922	3.2
65.03930	4.3
67.05508	94.9
69.03413	6.6
69.07076	26.1
69.38139	23.0
70.26777	3.3
71.04987	20.9
79.05500	74.8
81.03429	28.3
81.07059	100.0
83.04958	10.8
83.08623	24.5
85.06537	11.3
91.05493	56.0
93.07050	67.6
93.24284	2.9
95.04987	14.0
95.08055	4.9
95.08616	66.1
97.06540	9.1
97.10183	15.2
104.83803	3.2
105.07037	50.4
107.04955	6.2
107.08590	46.9
109.06520	4.4
109.10170	35.1
111.08087	8.2
111.97589	2.7
115.05436	3.9
117.07034	23.7
119.08586	44.7
121.06510	5.6
121.10155	35.4
121.80942	2.9
123.08046	8.5
123.11687	12.6
124.30430	2.7
125.09629	18.1
128.06201	3.2
129.07007	17.6
130.07756	4.0
131.08575	37.3
133.10144	31.4
135.08047	7.0
135.11691	18.6
141.06996	5.3
143.08557	16.5
145.10133	32.4
147.08089	2.9
147.11699	29.1
149.09601	8.9
149.13268	12.4
151.11140	5.3
155.08554	9.8
155.63564	3.1
157.10168	15.1
159.11729	23.4
161.09636	3.4
161.13286	15.8
163.11188	2.8
163.14868	7.0
165.12764	6.1
167.08571	4.8
169.10155	8.7
171.11726	14.8
173.11946	3.6
173.13266	14.3
175.11224	5.5
175.14854	7.1
181.10255	2.9
183.11699	7.9
185.13225	12.3
187.10881	3.0
187.14835	12.9
189.11198	8.7
189.12718	3.6
193.12216	7.5
195.11815	5.1
195.13857	3.7
197.13284	8.9
199.14857	5.3
201.16385	3.1
207.11754	3.2
209.13406	5.3
213.16383	4.0
225.16483	3.7
227.12779	16.2
233.15623	3.6
239.16313	5.8
243.21187	3.3
247.16896	3.5
259.20560	5.3
261.22189	8.8
267.15891	24.9
273.22266	3.3
277.17291	3.1
285.22058	3.9
287.23914	3.5
289.21646	8.7
299.23495	3.0
301.25266	10.2
303.23285	5.0
315.85797	2.7
335.22482	3.2
335.25916	19.7
341.24847	2.9
349.19525	2.9
359.25748	5.3
363.25375	8.8
417.31479	6.3
435.27094	5.4
435.32593	15.3
453.33823	20.8
464.87027	3.2
471.34836	12.0
509.36124	9.1
527.30048	4.7
527.37415	72.9
545.38440	45.5
559.39490	11.6
577.40314	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	578.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01857	2.0
55.05513	15.0
57.03443	9.7
57.07085	3.1
67.05507	47.0
69.07070	13.3
69.18855	19.7
71.05002	2.3
79.05491	34.3
81.03436	2.3
81.07064	36.7
82.25338	1.9
83.04977	4.8
83.08618	9.4
91.05477	17.7
93.07043	49.1
95.04977	6.8
95.08614	50.2
97.06570	4.6
98.20800	3.8
99.04461	3.2
105.07044	10.1
107.04938	5.3
107.08589	31.2
109.06539	2.3
109.10170	12.5
111.11769	2.0
111.43627	1.8
117.07022	7.4
119.08593	12.5
121.06536	4.8
121.10132	16.0
123.11663	2.6
131.08553	3.7
133.10132	7.4
135.11687	35.8
143.19669	2.2
145.10117	24.9
147.11708	2.5
159.11705	2.2
163.11169	38.0
173.13171	3.0
175.14870	2.4
181.12260	6.1
209.11653	3.0
227.12787	54.9
259.75748	2.0
261.22223	5.6
264.71481	2.0
267.67719	2.0
283.15381	31.8
335.25821	100.0
336.26288	2.2
390.92410	2.6
443.89810	2.0
543.36865	48.5
578.37537	3.8
579.38599	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01889	3.9
55.05517	17.4
57.03442	12.1
67.05511	49.4
69.07082	18.1
69.18420	13.8
69.18840	10.0
71.04988	3.3
71.08627	2.5
79.05501	43.3
81.07065	43.2
83.04988	4.7
83.08637	10.6
91.05488	15.5
93.07059	59.5
95.04997	12.0
95.08616	61.3
97.02907	3.8
97.06547	3.5
97.10178	2.3
98.21509	5.5
99.04496	3.8
105.07061	10.1
107.04984	6.8
107.08598	39.0
109.06567	4.4
109.10155	12.0
117.07027	10.6
119.08594	12.2
121.06507	6.4
121.10155	20.0
125.06006	5.2
130.07838	2.9
131.08580	2.7
133.10152	6.8
135.11697	56.2
135.12695	3.0
141.67474	2.3
145.10141	32.4
147.11685	2.7
149.13268	3.5
163.11188	56.5
173.13235	2.9
181.12277	11.1
187.14926	2.8
210.49184	2.2
220.59883	2.6
227.12811	100.0
249.11127	2.7
250.11397	2.5
261.22217	6.7
283.15411	67.0
335.25793	94.3
372.87384	2.5
405.52078	3.0
418.31616	2.9
543.36798	60.5
560.36206	13.2
578.37555	17.1
579.38416	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	579.1716
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
55.01875	0.1
57.03444	0.5
62.41381	0.1
67.01871	0.4
68.65799	0.1
68.99823	0.3
70.58083	0.1
70.58423	0.3
71.05001	3.2
73.73066	0.1
83.04955	0.1
85.02915	3.9
91.05488	0.2
91.47270	0.1
98.97488	0.1
111.04416	0.1
119.04958	1.2
121.02881	0.5
129.05481	0.9
145.02853	0.5
148.81783	0.1
153.01851	3.5
163.03877	0.3
171.02899	0.2
177.05452	0.1
225.05525	0.3
229.04994	0.3
243.06479	0.3
247.06009	0.2
271.06033	100.0
272.06424	1.1
397.12711	0.1
399.13651	0.2
416.13876	0.1
417.14386	0.3
433.11356	12.1
434.11719	0.1
512.44598	0.1
540.55127	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	579.2078
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01862	0.6
56.12031	0.6
57.37643	0.5
58.47808	0.5
59.25649	0.5
65.03925	1.4
69.03421	2.1
70.06580	0.6
71.55260	1.1
77.10828	0.5
78.04718	1.4
79.05489	1.4
81.03401	0.9
81.07059	0.6
81.82536	0.6
85.02889	2.6
91.05452	1.1
95.04971	0.6
97.02863	1.1
97.06559	0.9
97.14556	0.7
103.05456	0.8
106.04166	1.4
107.04965	2.0
109.02869	0.7
115.05474	3.2
117.07043	5.9
122.17876	0.6
123.04451	6.3
124.05220	1.8
125.05967	0.6
126.33784	0.6
126.74223	0.6
127.05406	0.8
133.06346	0.6
145.06514	8.5
151.03905	1.2
152.04672	1.6
153.05498	0.7
155.06041	4.0
167.07059	100.0
168.07475	1.0
171.06493	1.0
173.05997	19.7
175.07446	0.8
181.04980	21.7
191.07069	1.0
205.08701	4.2
220.07269	0.6
222.76994	0.6
233.08130	7.0
235.09657	4.6
243.01782	1.5
261.02960	0.7
271.06079	2.2
326.07553	0.9
381.09897	0.8
387.14435	18.3
397.12833	0.8
398.13519	0.9
399.13809	1.5
408.18042	0.6
415.14346	0.7
416.14166	2.0
417.15378	15.8
501.07327	0.7
554.37811	0.8
574.11884	0.6
579.20801	49.4
580.21259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2074
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03942	0.5
55.01860	0.5
56.42559	0.2
56.96556	0.6
60.71104	0.2
64.50197	0.2
65.03931	1.0
66.04699	0.3
66.13634	0.2
67.05502	0.6
69.03439	1.7
70.06599	0.5
71.09436	0.5
72.08139	0.4
78.04727	1.9
79.05488	1.0
81.03416	0.9
81.07033	0.2
82.04201	0.5
83.55136	0.3
84.04469	0.2
85.02914	2.1
91.05471	1.1
93.03416	0.4
95.04966	0.8
97.02887	1.1
97.06531	0.7
98.20789	0.2
98.97593	0.4
103.05495	1.2
105.07029	0.3
106.04169	0.9
107.04961	1.7
109.02882	0.5
110.03654	0.6
110.94704	0.3
111.04457	0.3
115.05473	3.2
117.07029	5.2
119.08559	0.3
121.02863	0.3
123.04440	5.3
124.05248	1.9
125.05998	0.6
127.03918	0.4
127.05457	0.8
131.04956	0.4
133.06470	0.3
134.03722	0.3
135.04472	0.3
137.05974	0.7
142.02641	0.5
144.05643	0.3
145.06503	8.2
147.08063	0.4
151.03896	1.1
152.04701	1.6
153.05544	0.5
155.04854	0.4
155.06042	3.5
161.06024	0.4
167.07062	100.0
168.07390	0.5
171.06511	0.7
173.06006	17.7
173.43689	0.2
175.07600	0.7
181.04982	20.3
182.64743	0.3
189.05423	0.3
191.07091	0.5
201.05481	0.8
205.08611	3.7
207.10226	0.3
219.01797	0.2
233.08128	5.5
235.09673	4.5
361.22293	0.3
387.14441	17.4
399.11115	0.5
417.15512	11.3
579.20795	42.8
580.21014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.5
55.05515	2.5
57.03430	4.9
67.05509	5.1
69.03411	3.1
69.07068	16.9
69.48409	2.6
69.48769	15.1
79.05493	11.5
81.03432	4.2
81.07072	3.4
83.04987	2.4
85.02905	5.6
85.53888	2.1
88.11684	2.0
90.28918	2.4
91.03980	2.7
91.05465	3.2
93.07074	3.0
95.04953	5.8
97.02869	2.5
97.06537	100.0
98.21465	5.0
98.97554	3.5
114.82005	2.4
119.08582	3.7
127.03928	2.7
129.07074	2.8
141.06998	3.3
143.08568	2.9
147.04414	5.5
157.10225	3.9
160.05247	2.9
161.05928	5.8
163.03857	2.9
167.08612	4.6
169.06496	4.0
171.08067	4.1
173.06006	5.9
183.08105	2.4
185.05991	3.0
185.09566	4.0
187.07542	7.5
189.05440	3.6
189.09097	7.6
193.12422	2.2
195.08041	7.3
197.05981	4.4
199.07550	7.9
201.05446	4.9
201.09280	2.5
209.09572	3.5
211.07617	5.9
212.08203	2.1
213.09146	8.1
215.07047	9.8
217.08568	3.0
218.02568	2.2
223.07559	4.7
225.05397	2.3
227.10715	2.5
231.10231	5.0
239.07065	4.1
241.08601	25.1
241.12263	2.7
243.10283	3.3
255.10208	2.4
257.08090	2.5
259.09723	17.2
267.08963	6.4
267.16095	3.3
273.11136	2.4
283.13199	5.3
285.10416	5.1
285.14777	3.1
293.11868	4.3
299.41095	2.7
309.14774	4.7
311.12842	18.4
311.16299	3.7
313.13943	2.4
319.13297	3.9
327.15826	6.5
337.14288	14.8
339.15018	4.6
343.15366	4.7
355.15396	34.2
369.16992	3.0
387.17953	5.2
579.24316	3.2
590.98413	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2607
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
57.69428	0.5
69.62200	0.5
71.32472	1.1
111.37364	0.6
151.82312	0.6
171.09169	0.6
173.32434	0.6
261.13760	0.6
363.16232	1.4
364.16641	0.9
377.17880	1.4
378.18396	0.9
379.19125	2.2
389.17719	1.1
390.18347	1.6
391.19397	2.5
392.16150	0.8
392.20377	1.0
393.20798	2.4
403.19351	0.9
404.20053	1.9
405.16568	1.1
405.21024	2.5
406.17963	1.9
407.18518	2.2
407.22931	1.5
408.23087	0.9
415.18875	0.7
419.18579	1.0
419.23047	1.0
420.15253	1.0
421.20026	8.1
422.20639	0.9
431.18506	0.7
432.19525	0.8
433.16504	2.4
433.24600	1.2
434.16968	1.3
435.17145	6.1
435.22556	2.6
436.22720	12.5
437.22800	0.9
445.20227	1.2
447.17288	1.3
447.22778	3.4
448.18369	2.8
449.19150	11.1
450.24158	2.0
452.22507	0.9
460.22974	1.7
462.20251	1.3
463.21185	11.3
464.21973	3.8
467.37506	0.9
467.44720	0.6
474.24307	1.4
475.20947	13.4
476.22025	1.3
477.23035	5.6
491.24481	3.7
492.21588	19.5
493.22623	1.1
494.23077	1.3
501.23260	0.7
503.24493	2.1
507.27356	1.8
508.24838	0.9
519.23663	3.6
522.22662	0.7
523.27118	14.1
533.25397	2.2
535.27271	4.2
547.23541	1.9
551.26593	24.8
552.27118	0.9
561.25616	1.3
579.26056	100.0
580.26520	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	579.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64536	1.2
53.03939	3.8
55.01865	3.5
55.05517	12.2
57.03436	3.8
57.07072	3.7
60.98059	1.1
65.03937	2.4
67.05510	62.7
69.03432	2.7
69.07077	13.0
71.05000	2.2
71.08627	2.3
71.55721	2.3
73.02925	2.7
79.05058	2.5
79.05497	38.2
81.03421	7.3
81.07063	69.8
83.04990	2.6
83.08623	7.5
85.02888	4.2
85.06531	2.5
91.05479	20.8
93.06468	2.3
93.07050	47.0
95.04945	3.2
95.08616	47.3
97.02901	1.9
97.06513	4.2
97.10167	4.5
98.98473	9.0
99.04436	2.5
105.07041	20.3
107.08605	37.1
109.02914	7.8
109.06545	2.2
109.10162	31.5
110.03683	3.2
111.04431	4.3
111.08080	2.3
113.09618	2.5
115.05460	1.2
117.07034	11.6
119.08598	18.1
121.09312	2.3
121.10148	31.6
123.08061	1.9
123.11717	14.3
127.03905	6.3
129.07021	1.8
131.08572	19.3
132.99612	1.1
133.10127	17.3
135.11705	25.9
137.09648	2.2
137.13246	5.9
139.11276	1.5
145.10120	18.9
147.11713	11.2
149.02353	2.8
149.09671	1.8
149.13269	16.4
151.11235	2.5
151.14828	1.3
153.12770	2.6
155.01060	11.2
155.08609	1.3
159.08136	1.3
159.11714	13.6
161.13245	10.6
163.11241	1.6
163.14819	13.3
165.12756	2.6
171.11678	1.6
173.13274	14.7
175.14862	4.0
177.12657	1.6
177.16377	4.9
179.14368	2.3
181.10153	2.1
185.13234	1.4
187.14806	8.7
189.16422	1.5
191.00053	3.2
191.14268	1.4
201.16356	2.5
219.17525	1.2
233.22565	2.8
243.21118	30.9
244.69060	1.4
245.13824	1.4
259.20581	1.6
261.22168	100.0
263.23672	4.8
279.23392	2.8
289.21539	1.4
335.25833	12.2
337.27429	7.2
353.26898	72.9
369.24472	1.9
451.21436	2.2
487.23257	2.4
561.27094	3.9
561.37421	1.8
579.38068	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	579.3871
Annotation	FD 891
Peak:m/z	Relative Intensity
52.65666	0.6
55.05517	3.1
57.03439	1.4
57.07068	1.4
67.05513	4.9
68.05842	0.9
69.07077	3.0
69.22688	6.3
79.05493	5.0
80.05839	0.6
81.07064	5.0
83.04990	0.7
83.08625	2.4
88.41119	0.6
91.05483	2.0
93.07060	5.1
94.07367	1.0
95.04984	0.6
95.08620	5.4
95.17966	0.6
95.84478	0.6
96.08945	1.3
97.10173	1.6
98.21592	1.0
105.07013	1.4
107.08612	3.0
108.08932	1.1
109.10172	1.3
117.07043	0.9
119.08588	1.2
120.08946	0.7
120.17456	0.5
121.10174	2.5
122.10498	0.8
129.17966	0.6
135.11699	3.0
136.12033	1.0
145.10147	2.2
146.10521	1.1
163.11140	3.1
227.12814	5.0
228.13118	2.9
251.12650	2.9
269.13608	9.0
283.15393	2.8
284.15619	1.5
291.45984	0.6
311.26013	1.0
325.16336	2.5
335.25943	3.8
336.26172	7.9
544.37225	5.3
561.37695	6.4
579.38770	100.0
580.38568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
57.03435	0.7
57.07079	1.4
67.05505	3.2
69.07079	4.3
71.08643	1.0
75.68754	0.6
79.05514	2.7
81.07060	1.9
83.04951	0.6
83.08629	3.5
91.05502	1.8
93.07067	2.2
95.04977	0.7
95.08602	1.9
97.06553	0.9
97.10188	3.1
104.43749	0.6
105.07042	1.1
105.65311	0.5
107.08602	1.0
109.06507	0.6
109.10197	1.4
113.44623	0.5
119.08604	0.6
121.10168	1.8
133.10190	1.3
133.52139	0.6
145.10190	1.0
159.74973	0.6
164.92438	0.5
203.07462	0.5
225.11099	1.5
227.57677	0.6
239.73132	0.6
251.12585	1.5
269.13611	11.2
293.21091	0.6
311.25891	1.1
325.16312	3.4
452.59390	0.6
507.86026	0.6
535.36218	1.6
549.48077	0.6
561.37830	2.5
579.38763	100.0
580.39099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46996	4.5
51.56651	4.4
53.03941	5.5
54.67070	3.8
55.01873	6.1
55.05517	20.0
56.03221	3.7
56.94326	3.5
57.03434	18.9
60.04530	36.2
61.02923	9.0
67.05505	45.6
67.19981	3.8
69.03432	18.0
69.07067	56.0
70.06597	41.6
71.04991	12.6
71.55131	4.9
73.02906	7.4
79.05486	50.7
80.41759	3.5
81.03424	22.5
81.07058	43.3
83.04964	14.7
83.08620	8.5
83.11784	4.1
84.04466	5.3
84.08177	5.7
84.87264	3.8
85.02896	20.3
85.06544	7.8
86.09680	4.7
91.05477	32.2
93.07057	41.9
95.04977	22.3
95.08601	23.1
95.57716	3.9
97.02885	12.8
97.06537	100.0
97.10179	4.2
98.06892	6.0
99.08102	7.7
105.07047	22.5
105.36555	3.8
107.04957	7.5
107.08594	26.0
109.02838	4.2
109.06520	20.1
109.10191	9.8
111.08103	5.1
112.84480	3.9
115.07555	27.3
117.07032	16.4
119.08606	17.3
121.06490	7.7
121.10153	11.8
123.08119	4.6
123.36195	4.2
127.03910	9.9
127.07574	8.2
129.07054	12.4
131.08572	18.6
133.10130	13.7
135.08046	6.4
143.08585	6.9
145.10121	9.7
147.04504	6.0
147.08029	6.8
147.11693	5.3
148.04764	4.8
149.09602	7.8
149.13266	11.3
150.54068	4.1
155.08505	5.3
159.11674	11.7
163.03908	15.9
163.11154	6.5
173.02296	6.1
173.09593	4.4
175.11211	6.7
177.12810	9.5
195.13841	5.9
199.07587	4.5
212.14394	9.0
215.07065	10.1
228.17513	29.4
233.15532	9.7
242.08960	5.8
255.15987	7.7
259.09698	15.3
269.17603	29.9
271.06256	5.4
273.18417	23.4
279.23279	6.0
291.19470	11.4
296.26102	5.1
312.13043	7.0
314.26886	6.1
329.90427	4.3
338.14700	5.9
347.22244	5.3
365.23206	28.6
383.24249	9.7
396.82526	4.2
406.20151	5.9
464.02786	4.7
580.25043	22.9
580.34650	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01876	3.0
55.05516	19.8
57.03447	14.6
67.05181	3.4
67.05515	48.0
69.07081	15.6
70.16844	7.3
70.17257	3.8
79.05502	39.0
81.02982	3.1
81.03431	41.6
81.07069	54.8
83.04986	10.1
83.08631	19.2
85.02931	14.6
85.06570	3.5
91.05494	31.2
92.56567	2.5
93.07061	40.0
95.04977	17.4
95.08047	3.1
95.08619	36.5
96.04137	2.3
97.06541	3.9
97.10170	3.8
105.07038	24.9
107.04957	4.6
107.08606	21.4
109.06566	4.7
109.10155	10.6
111.08076	7.0
117.07018	5.1
118.18595	2.3
119.08604	18.8
121.10150	18.5
123.11756	3.5
129.06987	7.8
131.08571	14.1
133.06465	2.9
133.10135	7.1
135.11713	8.3
145.10178	5.1
147.11748	10.8
149.09587	5.4
149.13268	4.4
157.10147	9.1
159.11700	3.2
163.11197	4.9
165.12796	2.5
173.13170	2.4
175.09865	2.4
175.11229	10.6
192.73003	2.1
193.12267	34.5
211.13318	51.3
227.12801	4.3
228.13231	4.0
229.13434	2.7
251.12729	2.6
261.22095	3.8
267.15887	9.6
269.13620	4.1
281.50238	2.5
284.15775	2.8
285.16977	44.9
311.43985	2.4
335.25845	100.0
336.26053	5.0
337.26596	4.9
527.37427	3.4
545.38391	91.1
562.37714	3.6
580.30286	4.4
580.39117	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
54.43744	1.0
55.01874	3.1
55.05518	19.1
57.03222	1.0
57.03445	10.0
57.07069	3.3
59.19470	0.9
59.41694	0.8
65.03934	1.3
67.05513	39.0
68.05839	1.4
68.54192	1.0
69.03423	1.3
69.07075	19.8
71.04984	3.0
79.05508	25.1
79.50753	1.1
80.05831	0.9
81.03428	2.7
81.07069	44.8
82.07449	1.1
83.04984	3.5
83.08630	13.3
85.06557	1.4
91.05492	14.5
93.07056	30.4
95.04968	4.6
95.08620	46.5
95.11980	1.0
97.02901	1.5
97.06539	4.2
97.10161	5.8
99.04482	2.3
103.05453	1.3
104.37078	0.9
105.06467	1.0
105.07055	9.2
107.04974	5.7
107.08611	24.8
109.06502	1.5
109.10180	12.1
111.04516	1.2
111.08094	2.0
117.07040	5.7
119.08588	9.1
121.06514	4.2
121.10143	13.3
123.11706	4.2
123.22401	1.2
123.55626	0.9
125.06001	1.8
125.09657	0.9
129.06963	0.9
130.07822	1.1
131.08586	1.4
133.10164	5.2
135.11713	27.9
137.13234	1.2
139.07704	0.9
145.10149	16.7
147.11649	3.0
149.13295	1.2
153.12779	1.2
161.11362	1.0
161.13304	2.1
163.11205	30.3
167.66388	1.0
181.12236	4.7
227.12807	52.1
263.23697	1.7
283.15427	37.2
283.18546	1.9
337.27408	100.0
338.27704	2.2
456.35663	1.5
530.39203	4.1
545.38416	50.7
548.40375	2.5
560.33484	1.2
562.37274	6.2
580.39032	11.7
581.39990	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	581.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88620	1.5
53.03931	4.0
55.01873	2.6
55.05516	10.9
57.07069	6.2
59.05000	4.2
67.05512	27.8
69.03439	10.3
69.07076	14.6
71.05005	2.0
79.05503	21.6
81.03402	3.6
81.07066	31.7
83.04980	5.0
83.08624	8.6
85.06539	3.6
85.39257	1.4
85.65731	1.6
91.05494	30.9
93.07057	45.4
95.04992	12.5
95.08618	29.6
97.06538	7.3
97.10123	2.3
103.05447	2.6
103.32018	1.6
105.07043	56.3
107.05025	1.9
107.08596	33.9
109.06525	7.9
109.10178	18.0
111.11699	2.9
113.30923	1.9
115.05453	4.0
117.07038	11.1
119.07795	3.4
119.08596	51.0
121.06544	8.4
121.09309	3.5
121.10162	49.7
121.11028	3.3
123.08078	16.0
123.11716	7.0
125.06078	2.6
125.09656	3.4
128.06223	7.6
129.07039	9.1
130.07793	4.4
131.08589	27.4
133.06487	2.7
133.10144	50.1
135.08075	10.9
135.11708	16.7
137.09616	9.9
139.07523	2.0
139.11171	2.4
141.07031	5.0
142.07796	15.2
143.08556	21.5
144.09361	5.6
145.10152	34.8
147.08058	17.0
147.11685	14.3
149.09659	21.9
149.13278	2.8
151.07574	15.3
151.11217	2.8
153.06981	3.6
154.07762	2.8
155.01018	2.5
155.08588	9.6
155.10646	1.7
156.09389	11.8
157.10155	33.4
158.10898	5.4
159.08076	7.1
159.11714	21.4
160.08902	2.3
161.09669	7.1
161.13319	7.2
163.11201	7.2
165.07027	5.3
165.09138	23.0
167.08546	6.2
167.10698	43.4
168.09402	5.1
169.10167	17.7
170.10944	7.0
171.08043	3.0
171.11710	21.0
172.08835	2.6
173.09666	6.0
173.13269	20.8
175.11229	4.1
175.14867	6.1
179.08542	10.1
180.09361	4.2
181.10094	8.9
181.12244	6.1
182.10927	6.3
183.11732	12.2
184.12520	2.1
185.09752	3.1
185.13258	14.4
187.11215	5.2
187.14809	9.8
189.12759	8.9
191.14290	3.6
192.09370	3.6
193.10173	8.1
193.11894	1.7
194.10979	5.7
195.05185	1.6
195.08192	2.1
195.11699	14.9
196.12508	4.4
197.13266	12.1
199.11270	3.6
199.14790	11.5
201.12823	2.8
201.16438	5.9
203.14380	8.5
205.10182	2.5
206.10973	5.8
207.11687	9.3
207.13838	8.8
208.12518	2.8
209.09882	2.1
209.13304	14.7
209.15186	2.9
210.14059	2.5
211.11301	2.2
211.14890	10.1
213.12788	5.0
213.16502	2.8
215.14432	8.1
217.10233	3.6
219.11758	4.8
220.12602	3.1
221.13303	11.5
221.15427	50.4
222.14040	1.7
223.14693	8.9
225.12759	4.2
225.16402	5.3
227.14435	2.3
229.10226	2.1
230.11049	2.0
231.11758	3.9
231.13866	2.3
232.12500	2.6
233.13307	5.7
233.15442	19.1
234.14059	3.1
235.14830	8.6
237.12740	3.1
237.16481	6.2
239.14331	2.7
239.17967	3.4
241.19725	2.6
243.11719	3.1
244.12534	2.1
245.13293	5.5
246.14052	3.2
247.14893	6.9
247.17084	2.0
248.15752	3.1
249.16571	3.9
251.18031	3.0
253.19493	2.4
256.91095	1.7
257.13315	3.8
257.19144	2.2
258.14313	2.2
259.14835	5.6
260.15921	1.9
261.16467	4.2
263.18036	4.6
265.19623	3.3
267.17822	2.1
267.20990	2.7
269.13214	2.1
269.18945	2.8
271.14749	2.0
273.16373	3.7
275.17902	5.0
283.14767	2.5
285.18661	2.5
287.20300	3.2
291.17499	2.8
299.20505	3.4
303.21051	2.5
307.20999	2.3
311.20148	3.7
312.20932	7.8
313.19406	2.4
325.19440	2.6
329.22787	3.0
345.22223	2.6
351.23413	2.1
355.24103	2.2
359.23691	3.0
373.25354	5.7
393.24539	3.4
401.28201	3.3
425.28256	3.5
545.38184	2.9
553.39838	4.4
563.38837	17.2
581.28143	6.4
581.39929	100.0
582.40283	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	582.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01869	1.6
55.05514	6.9
57.07067	5.6
59.05007	1.4
65.03942	2.7
67.05515	15.0
69.03426	5.2
69.07080	9.2
69.30791	12.1
69.59716	1.3
71.04963	2.0
74.09681	1.3
79.05495	16.6
81.07068	26.8
83.04990	3.3
83.08611	4.6
85.06562	3.1
85.75647	1.4
89.06024	1.8
91.05486	30.8
91.06013	2.6
93.07056	32.9
95.04980	49.3
95.08620	15.5
97.06568	3.2
103.05457	3.1
105.04590	1.8
105.07042	56.8
107.04967	2.9
107.08611	32.1
109.06520	10.6
109.10164	10.3
115.05451	7.2
116.06268	2.2
117.07030	19.0
119.04965	2.7
119.08599	55.4
119.09446	2.9
120.09383	2.7
121.06520	6.0
121.10155	35.3
122.07274	3.6
123.08086	14.4
123.11739	6.7
128.06241	15.4
129.07016	15.7
130.07835	7.0
131.04922	1.6
131.08591	38.6
133.06509	6.3
133.10147	28.6
134.07291	2.5
135.08072	15.9
135.11707	7.7
137.09653	3.7
138.10445	1.9
141.06981	10.5
142.07816	18.9
143.08572	55.2
144.09348	8.0
144.36375	1.4
145.06471	3.4
145.10144	53.4
146.07266	2.0
147.08078	7.2
147.11708	13.4
148.08847	2.1
149.09625	10.6
151.11226	2.5
153.07120	3.3
154.07858	3.9
155.08566	21.0
156.09370	16.9
157.06621	1.7
157.10147	48.0
158.10939	8.5
159.08084	13.1
159.11710	23.8
160.08810	2.6
160.12518	1.5
161.09616	16.4
161.13332	2.9
163.11160	2.1
164.91687	1.3
165.07037	8.6
166.07855	4.5
167.08588	12.9
167.10710	7.0
168.09375	6.1
169.10159	30.5
169.16003	1.4
170.10933	8.7
171.08124	3.7
171.11710	31.0
172.08907	2.7
172.12457	3.2
173.09647	14.5
173.13295	13.2
174.10455	1.6
174.13898	1.6
175.11188	6.8
175.14902	2.5
177.09210	2.1
178.07813	2.2
179.08545	10.5
180.09369	5.8
181.10159	23.2
182.10902	9.3
183.08107	1.7
183.11728	26.4
184.08963	1.6
184.12527	4.4
185.09647	6.4
185.13287	12.6
186.10437	3.1
187.11189	10.9
187.14861	3.7
188.12036	4.7
189.09138	6.0
189.12775	8.9
191.08609	2.6
191.14297	11.4
192.09386	4.7
193.10129	16.0
194.10980	9.9
195.08049	2.2
195.11722	26.8
196.12520	7.4
197.09641	7.4
197.13275	23.6
198.10399	2.0
198.14023	3.9
199.11163	15.2
199.14848	9.5
200.12001	3.8
201.09079	1.8
201.12766	7.1
202.13554	1.5
203.14415	4.6
204.09383	3.1
205.10167	6.0
206.10870	8.0
207.11711	20.3
208.12486	8.2
209.09775	2.1
209.13286	20.2
210.10518	4.2
210.14050	4.8
211.11209	13.4
211.14784	11.4
212.11926	3.0
213.12767	8.7
213.16376	4.9
214.13490	2.2
215.10760	2.1
215.14355	6.1
217.10181	4.7
217.12305	2.0
217.15904	3.8
218.10912	2.8
219.11884	6.7
219.13696	2.1
220.12587	6.9
221.13271	13.4
222.14093	5.2
223.11343	9.0
223.14832	15.2
224.11960	2.5
224.15593	2.5
225.12743	11.8
225.16428	3.9
226.13556	2.2
227.14354	16.4
229.10234	2.5
229.12366	2.4
229.15869	1.7
230.10889	3.0
231.11691	5.4
231.13776	2.9
232.12488	5.8
233.13271	10.0
233.15361	3.0
234.14070	2.6
235.11223	3.5
235.14841	9.2
236.12048	3.4
237.12793	3.4
237.16417	4.3
238.13486	1.7
238.17308	1.4
239.14429	3.2
239.17978	4.9
240.15051	2.3
240.77155	1.5
241.15930	4.1
243.11772	3.8
243.13925	2.1
244.12476	3.7
244.14835	1.7
245.13158	6.7
245.15501	2.9
246.14143	4.6
247.14841	8.1
248.15598	1.9
249.12857	3.6
249.16446	6.1
251.14391	4.6
251.18027	2.0
253.15912	6.6
255.17511	6.3
256.18250	1.6
257.13266	3.3
257.19110	2.1
258.14111	2.5
259.14871	5.6
261.16318	7.1
263.14453	5.6
263.18015	3.0
265.16068	6.6
267.17584	1.9
268.97205	1.5
269.19067	2.4
271.14523	3.1
271.17047	5.2
273.12961	2.4
273.16376	2.5
273.18555	66.3
275.14340	2.1
275.17944	3.5
276.18756	1.4
277.15909	4.1
277.19434	2.6
279.17688	2.2
281.15985	1.5
281.19128	3.8
285.16116	2.6
286.19391	5.9
287.20334	2.3
289.15900	10.7
289.19388	3.8
291.17520	4.3
291.21152	3.6
293.19040	3.9
297.18777	1.9
299.20135	26.6
300.20865	2.4
301.19720	1.8
305.19144	1.6
307.20523	4.0
309.22107	3.1
311.20169	2.0
317.19122	2.2
319.20609	9.3
321.22104	1.8
325.21799	5.5
333.22137	1.6
333.68350	1.6
334.22940	3.8
337.21713	27.0
339.23071	1.5
343.20578	2.0
345.22302	2.4
349.21375	1.6
350.22610	2.2
351.23233	6.5
352.24014	100.0
353.24759	6.2
355.20624	1.8
357.22018	2.7
363.23318	7.1
365.24847	11.0
375.23309	2.1
376.24088	3.8
383.27618	1.7
389.25424	1.6
399.27277	1.7
401.28732	3.2
411.26801	2.3
429.28082	5.7
434.28131	7.9
443.29449	2.4
444.30298	41.9
445.31110	4.9
472.33472	2.5
490.34442	13.5
505.33130	1.5
521.37860	2.2
526.34167	2.3
549.37323	3.6
550.86597	1.6
564.39758	2.4
582.40686	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32121	2.1
53.03949	2.8
55.01883	1.7
55.05513	7.8
57.07080	3.1
65.03959	3.4
67.05514	15.0
69.03426	4.8
69.07082	16.0
70.13714	6.6
71.04997	2.0
76.81818	1.8
77.03924	3.1
79.05499	19.0
79.40766	2.0
81.07064	27.3
83.04997	5.8
83.08617	5.5
85.06559	3.0
91.05486	39.9
93.07054	51.2
95.04984	47.9
95.08614	20.7
97.06522	4.3
97.10147	2.0
103.05429	2.6
105.07042	71.2
106.58727	2.0
107.08601	29.9
108.75882	2.0
109.06534	8.4
109.10163	9.5
111.08092	2.8
111.11765	3.3
115.05467	5.7
117.07022	18.7
119.04964	7.1
119.08597	71.7
120.09377	2.5
121.06521	4.9
121.10164	52.2
122.11025	1.7
123.08090	17.1
123.11684	1.9
128.06265	14.7
129.07010	21.2
130.07831	9.6
131.08572	36.0
132.09364	6.9
133.06537	11.5
133.10139	28.2
135.08040	6.0
135.11681	9.5
137.09593	5.5
138.10391	4.0
141.06981	8.9
142.07802	17.6
143.07558	1.9
143.08568	54.1
144.09329	8.6
145.06393	3.3
145.10143	83.5
145.11298	4.5
146.07277	7.0
147.08044	10.4
147.11694	8.8
149.09648	17.3
149.13269	3.1
151.11220	3.6
152.41786	2.2
153.07019	5.4
153.76683	2.0
154.07787	4.8
155.08600	23.2
156.09375	18.1
157.10158	36.5
158.10982	10.4
159.08034	17.9
159.11702	14.2
160.08772	2.7
161.09584	10.4
163.11198	7.8
165.07047	6.8
166.07797	2.4
167.08614	16.1
167.10693	69.9
168.09370	9.0
169.10155	37.1
170.10915	8.7
171.08080	3.8
171.11725	27.3
172.12437	4.0
173.09637	6.1
173.13306	9.8
174.10440	2.7
175.11163	5.7
177.09242	2.6
179.08592	13.9
180.09373	7.9
181.10126	22.4
182.10927	12.9
183.08162	2.1
183.11713	31.3
184.12476	5.5
185.09650	9.5
185.13242	14.0
186.10422	3.8
187.11191	7.7
187.14859	2.4
189.12802	8.0
191.10669	3.0
191.14328	8.1
192.09320	4.9
193.10078	11.8
194.10863	9.1
195.11737	22.5
196.08728	2.4
196.12462	6.0
196.65021	2.1
197.09605	7.1
197.13281	20.7
198.13985	4.1
199.11206	16.3
200.12012	4.5
201.12714	4.5
205.10144	6.2
206.10954	8.6
207.11749	15.6
208.12445	4.4
209.13266	23.9
210.10486	4.3
210.14140	5.7
211.11304	9.8
211.14853	15.2
212.11992	4.0
213.12746	4.8
215.14319	10.6
217.10149	3.5
217.12204	3.4
218.10997	2.9
219.11667	6.8
219.13600	2.3
220.12608	3.8
220.14627	10.7
221.09644	2.2
221.13252	12.1
221.15271	3.4
222.13963	5.4
223.11182	11.4
223.14760	10.2
224.15605	3.4
225.12730	6.2
225.16409	5.6
227.12651	4.6
231.11720	2.9
232.14580	2.4
233.13239	9.0
233.15405	34.6
234.14052	3.2
234.16173	5.4
235.14838	9.5
237.12727	4.6
237.16394	5.2
238.17143	2.9
239.14339	4.1
239.18065	5.1
243.11798	3.1
244.12480	3.1
245.13307	5.9
245.15538	2.3
246.16234	3.9
247.14821	7.9
247.17085	4.1
249.12791	4.5
249.16377	6.0
251.14395	5.6
251.17984	3.0
253.15909	6.4
259.14746	4.7
259.17188	3.6
261.16452	6.6
263.14325	5.7
265.15884	8.2
273.16071	2.5
273.18622	15.4
275.17902	3.5
277.15964	4.8
277.19376	3.3
283.15222	4.4
286.19327	4.1
287.20297	3.5
289.16025	3.4
289.19498	4.2
291.21115	2.4
293.19098	2.6
297.18597	6.1
298.19238	8.3
299.20139	25.5
300.20694	3.2
303.21033	3.2
309.22040	4.3
310.19299	8.1
311.20023	8.1
312.20764	3.2
319.20529	4.6
323.20044	4.6
324.20950	6.0
325.21643	4.6
333.22119	3.0
335.20093	15.7
337.21625	19.5
338.22226	2.8
339.28772	4.3
345.22272	2.9
347.23541	2.5
349.21622	6.2
350.22433	5.5
351.23221	9.0
352.23999	100.0
353.24811	3.2
363.23233	13.8
364.23932	5.9
365.24753	7.7
376.23972	4.7
387.22821	2.4
389.25101	4.0
391.26462	2.4
429.27924	5.7
434.28018	5.5
443.29428	7.0
444.30286	40.2
445.31009	2.5
472.33270	3.1
490.34650	11.8
547.40460	3.7
549.37427	2.6
552.73956	2.4
567.38086	2.7
582.40759	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	2.2
53.03943	7.0
53.21031	2.2
55.05519	12.3
57.07066	6.5
59.05003	3.4
64.37209	2.1
65.03931	4.1
67.05513	11.5
69.03427	3.3
69.07082	17.4
70.66777	6.6
79.05508	24.0
81.07069	28.9
81.20919	2.1
83.04974	7.2
83.08615	3.4
84.56046	2.2
85.06523	3.1
91.05480	44.3
93.07058	55.3
95.04979	59.8
95.08622	18.0
97.06520	4.3
103.05466	7.1
105.07041	73.4
107.08614	30.4
109.06542	9.3
109.10191	11.6
111.08099	2.8
115.05456	6.2
116.06251	3.6
116.74300	2.2
117.07037	25.3
118.07806	3.2
119.04960	6.5
119.08591	69.8
121.06487	7.9
121.10160	64.8
123.08067	17.2
125.09659	3.0
128.06233	13.1
129.07004	26.6
130.07823	11.3
131.08575	40.4
132.09331	5.9
133.06497	13.3
133.10146	35.3
135.08057	11.1
135.11710	6.1
137.09608	6.2
138.10368	4.9
139.11212	6.1
141.07001	9.9
142.07803	22.6
143.07494	3.7
143.08575	58.7
144.09338	8.0
145.06526	5.7
145.10143	84.4
146.07265	5.0
147.08092	11.3
147.11722	17.7
149.09674	12.6
149.13216	2.4
151.11124	2.7
152.06172	2.6
153.07002	5.0
154.07764	7.0
155.08565	22.3
156.09354	22.4
157.10155	49.2
158.10931	11.0
159.08066	21.6
159.11707	19.6
160.08812	2.6
161.09671	14.4
161.13229	3.1
163.11205	2.5
165.07039	11.9
166.07809	3.9
167.08614	14.5
167.10689	73.0
168.09337	8.2
169.10158	42.8
170.10960	15.8
171.07990	5.2
171.11722	30.9
172.08778	3.1
172.12502	3.8
173.09653	11.6
173.13260	16.0
174.10370	4.5
175.11200	8.1
175.14854	2.7
179.08583	16.0
180.09401	12.8
181.10114	25.0
182.10884	16.3
183.08124	5.1
183.11711	40.1
185.09671	11.3
185.13280	10.3
186.10416	4.5
187.11131	9.8
187.14787	2.8
189.12741	14.9
191.14294	11.2
192.09377	6.7
193.10161	14.6
194.10927	9.6
195.07881	3.1
195.11707	31.2
196.12454	8.5
197.09624	9.7
197.13301	27.2
198.10304	3.7
198.14005	3.1
199.11221	16.4
199.12822	3.0
199.14885	4.7
200.12012	4.6
201.12802	8.6
202.13594	2.5
203.14334	3.1
205.10129	5.7
206.10939	6.2
207.11696	20.6
208.12518	9.2
209.09882	4.7
209.13269	26.6
210.10474	4.4
210.13980	7.1
211.11241	12.2
211.14806	16.9
212.11916	5.2
213.12759	9.7
215.14339	10.3
217.10185	4.2
217.12213	2.8
218.11021	3.8
219.11731	6.9
219.13751	2.9
220.12608	4.6
220.14581	14.2
221.13260	13.7
221.15230	4.6
222.14044	3.3
223.11221	13.7
223.14781	15.2
224.12062	3.2
224.15575	3.1
225.12830	11.5
225.16339	5.5
227.14241	8.1
229.10085	3.1
230.10921	5.3
231.11639	7.6
232.12453	3.2
232.14487	3.8
233.13261	7.5
233.15375	41.7
234.14038	5.9
234.16240	6.5
235.14906	11.1
236.15538	2.8
237.12735	7.2
237.16426	6.8
238.16974	3.2
239.14363	6.2
239.17909	3.5
243.11777	3.0
245.13167	7.8
245.15421	3.3
246.13966	5.8
246.16272	5.4
247.14825	8.7
247.17078	4.5
249.12721	5.6
249.16464	5.3
251.14232	6.9
251.17889	3.5
253.15932	7.0
255.17381	2.7
257.13156	2.9
258.14053	3.0
259.14722	5.8
260.17783	3.2
261.16409	6.2
262.17004	2.5
263.14340	3.5
263.17935	3.8
265.15961	7.1
267.17633	4.6
271.14670	3.6
273.15958	3.2
273.18671	23.0
275.17972	3.4
277.15881	6.4
277.19427	5.4
279.17432	3.4
286.19379	5.4
289.15839	5.2
291.17465	4.6
291.21161	2.7
297.18765	5.4
298.19238	11.6
299.20218	21.7
301.19611	2.7
303.21143	3.8
309.22110	7.0
310.19247	7.2
311.20172	8.5
312.20813	5.0
319.20551	3.3
323.20026	5.0
325.21585	3.0
333.22025	2.9
335.20050	14.1
337.21625	26.4
338.22290	4.2
349.21625	5.8
350.22510	3.7
351.23300	14.7
352.24008	100.0
353.24612	7.1
361.21738	3.5
363.23114	19.2
364.23962	4.0
365.24954	13.3
375.22510	2.5
376.23877	6.8
384.20950	2.9
389.25024	4.5
391.26337	3.4
416.27164	3.1
429.27890	5.1
434.28195	4.1
443.29507	8.4
444.30334	44.7
490.34494	12.8
526.34302	3.8
549.37170	2.5
561.71222	2.8
573.85553	2.6
582.40668	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03220	4.2
50.49340	3.1
51.47707	3.2
51.58939	3.3
53.03934	4.7
55.05511	10.8
57.07058	6.1
59.53707	3.2
61.14272	3.3
64.51144	3.4
67.05496	14.6
69.03437	4.2
69.07061	11.4
69.88360	17.8
79.05488	17.0
81.07050	27.7
84.15629	3.5
91.05474	32.0
93.07065	26.3
95.04971	43.2
95.08604	13.6
97.06542	5.2
105.07041	56.6
107.05002	5.4
107.08598	30.4
109.06531	7.1
109.10155	11.6
111.08086	4.1
115.05478	6.8
117.07047	19.8
119.04956	4.9
119.08587	62.0
121.06477	5.2
121.10134	27.5
122.07277	5.4
123.08061	12.5
123.11745	7.3
128.06233	16.3
129.07007	20.1
130.07822	7.8
131.08588	37.4
133.06552	4.6
133.10153	31.2
135.08057	16.3
135.11670	6.1
137.09592	3.9
141.06973	8.2
142.07785	14.8
143.08574	61.8
145.10136	59.6
147.08044	9.7
147.11690	14.2
149.09645	5.8
153.06993	5.8
155.08542	16.5
156.09338	16.6
157.10130	52.1
158.10878	9.6
159.08052	10.9
159.11670	12.3
161.09624	16.8
165.06985	7.9
167.08580	9.4
167.10657	4.4
168.09299	8.6
169.10143	29.1
170.10925	7.5
171.08096	5.7
171.11713	32.2
173.09592	18.5
173.13234	17.3
175.11177	7.7
179.08624	12.3
180.09258	9.0
181.09990	19.5
182.10945	13.2
183.11670	31.5
185.09610	8.8
185.13260	16.3
187.11223	5.8
187.14877	5.4
189.09000	4.7
189.12761	4.1
191.14284	4.7
193.10107	15.2
194.10896	9.2
195.11693	21.7
196.12370	5.4
197.09721	4.1
197.13234	24.7
198.14101	5.4
199.11200	9.8
199.14793	8.7
200.11832	4.3
201.12805	5.2
205.10231	6.5
206.10971	5.5
207.11665	30.1
208.12465	12.0
209.13252	22.2
211.11192	12.0
211.14856	8.5
212.12047	4.9
213.12738	9.0
213.16406	6.7
215.14302	7.8
219.11705	8.7
220.12509	7.8
221.13287	16.3
223.11270	4.6
223.14857	14.6
225.12643	8.6
227.14191	16.9
230.81337	3.4
231.11717	5.1
232.12460	7.6
233.13324	7.0
235.14894	9.0
237.12740	4.3
237.16362	5.2
239.14374	7.0
239.17960	6.1
241.15863	5.6
245.13257	4.3
247.14833	12.3
248.15715	3.6
249.12694	4.8
251.14230	4.2
253.15916	8.4
261.16467	4.3
263.14282	4.9
265.15912	5.2
271.17065	5.3
273.15866	5.2
273.18521	69.5
277.15964	7.2
277.19244	4.3
281.19073	3.6
286.19278	7.6
289.15884	10.1
291.21143	5.6
293.19110	5.4
299.20160	25.5
307.20755	4.7
309.22177	5.3
319.20319	5.7
325.21829	5.6
335.78568	4.1
337.21658	21.1
351.23141	5.5
352.23956	100.0
353.24692	5.4
363.23285	7.0
365.24887	13.4
376.23853	4.6
434.27948	7.7
444.30313	45.7
490.34256	15.0
526.34314	5.8
582.40686	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53003	11.3
55.05523	13.8
57.07075	22.4
57.37155	11.6
67.05502	44.6
69.07067	25.3
70.20396	55.9
71.08626	12.9
73.31989	12.1
79.05502	38.4
81.07063	42.6
83.08656	22.2
88.89958	13.1
89.08085	13.1
91.05482	32.4
93.07062	46.2
95.04949	23.8
95.08627	32.5
97.06556	15.6
98.21433	15.6
105.07039	46.5
107.08595	50.5
109.10155	23.8
117.07040	18.5
119.08599	63.0
121.10146	56.2
123.08112	14.2
129.07097	15.8
131.08578	40.2
135.11723	52.4
142.07820	14.6
143.08568	37.0
145.10123	75.5
147.08066	19.1
149.09651	13.8
155.08603	16.7
157.10161	34.9
159.11760	26.0
163.11224	36.0
169.10173	19.9
171.11687	27.7
173.09753	12.9
181.10139	20.2
183.11700	19.1
193.10060	14.2
195.11749	25.6
223.11093	13.5
223.14876	13.9
227.12782	100.0
273.18463	28.5
283.15454	77.1
313.27444	73.0
325.52802	13.8
339.28925	65.1
352.23984	40.8
411.89905	13.3
420.41446	13.8
437.73834	13.0
444.30319	20.2
490.34390	22.9
521.38147	54.9
547.39856	38.2
582.40454	60.0
583.41150	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	583.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94835	1.7
53.03944	6.8
55.01871	4.9
55.05517	25.7
56.96573	18.0
57.03450	7.4
57.06228	1.8
59.05006	3.5
65.03948	1.9
65.76657	1.8
67.05513	85.2
67.29651	1.5
69.03449	15.2
69.07085	6.1
69.62010	12.0
71.01342	1.6
71.05013	6.0
71.95303	2.2
73.02972	1.7
79.05507	23.9
81.03426	72.7
81.07066	27.6
83.04996	14.6
83.08622	19.4
85.02921	18.8
85.06578	3.9
91.05490	26.8
93.07044	18.1
95.04988	24.2
95.08613	10.8
97.02901	14.8
97.06531	12.2
97.10183	10.7
98.06933	2.9
98.21545	2.0
99.04463	1.9
103.05550	1.9
105.07041	14.5
107.04964	9.9
107.08630	9.2
109.02894	13.2
109.06564	4.9
109.10168	50.0
111.04478	13.1
111.08109	6.3
117.07084	2.3
119.08593	17.9
121.06548	2.7
121.10192	5.4
123.04470	3.6
123.08023	2.2
123.11789	1.8
125.09695	6.8
127.03933	9.5
128.98695	2.1
129.05525	1.9
129.07042	5.3
131.08586	7.4
133.06561	5.1
133.10176	7.2
135.04370	2.8
135.08110	2.7
137.09627	4.1
143.06958	1.7
143.08665	2.2
145.06549	2.4
145.10161	3.7
146.46025	1.7
147.04436	5.9
147.08061	2.9
147.11658	8.5
148.09509	1.9
149.06085	2.4
149.09682	3.6
153.09148	1.9
155.10732	4.7
157.10187	8.0
161.09628	2.1
163.03989	2.6
163.11203	4.3
165.12817	2.7
171.10274	2.1
173.11761	16.7
173.12949	1.7
175.11267	7.3
189.09576	1.8
189.11269	4.0
189.12822	2.2
191.10654	2.7
193.12248	21.5
195.13930	2.0
199.06531	4.3
211.13319	33.5
213.08055	12.6
217.07478	3.2
225.08157	5.1
227.12943	5.9
229.07562	7.3
229.14340	16.4
231.09163	6.5
235.13435	2.5
237.08099	2.4
239.09731	4.9
241.11151	13.3
243.09105	2.0
247.08607	2.4
251.09499	8.5
255.09230	4.2
259.09845	2.7
259.12021	8.4
267.09265	2.0
267.16003	8.5
269.10605	40.7
273.15045	3.4
277.14432	3.6
285.17279	3.3
287.11670	10.9
299.15054	5.5
301.14252	4.1
303.82666	1.9
309.17194	4.0
315.16989	2.3
319.15643	2.0
329.21350	2.8
331.17825	3.0
333.17319	18.1
337.16660	3.4
351.18396	29.6
353.04630	1.8
355.17609	7.8
369.19531	100.0
373.19211	2.4
374.20319	2.8
387.20569	63.6
410.22314	8.1
420.95523	2.1
421.16959	3.8
421.25888	9.3
439.27002	11.6
455.25980	1.9
505.28198	4.8
533.35864	2.5
547.29248	2.6
565.30182	7.6
583.31305	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3609
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
51.14361	0.3
53.03943	0.5
55.05506	2.2
57.03433	1.4
57.07072	0.4
63.38448	0.3
67.05168	0.6
67.05507	6.3
69.07073	1.8
70.99169	0.4
70.99519	0.6
71.05016	0.4
79.05499	3.8
81.07066	5.3
83.04988	0.6
83.08628	1.0
83.33044	0.3
91.05494	2.4
93.07059	4.0
95.04984	0.4
95.08618	4.4
97.06526	0.5
105.07047	2.9
107.08606	2.8
109.10172	2.0
116.45305	0.3
117.06984	0.6
119.08589	2.4
121.10139	1.6
123.08093	0.4
123.11769	0.4
129.06981	0.5
131.08585	1.3
133.10097	2.0
135.11699	1.1
137.09566	0.4
143.08580	0.8
145.10127	1.8
147.11656	0.3
156.09372	0.5
156.10588	0.3
157.10153	1.2
159.11710	0.8
163.11214	0.8
165.09142	0.8
169.10178	0.5
171.11714	0.5
173.13254	0.4
179.38820	0.3
181.10124	0.4
181.12277	0.7
183.11719	0.6
187.14819	0.4
191.17160	0.3
194.10965	0.4
195.11693	0.3
197.13409	0.5
203.14383	0.4
214.76015	0.3
221.13354	0.3
221.15401	1.3
223.14830	0.4
249.10994	30.4
305.13586	3.6
309.94968	0.4
335.25830	1.6
431.12772	0.4
491.34961	0.8
493.35062	1.5
530.38867	0.4
563.63495	0.4
583.35999	100.0
584.36328	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78582	1.8
53.03939	5.8
55.05505	7.7
57.07069	8.0
59.05003	4.2
61.41465	2.1
65.03935	1.9
67.05512	22.2
68.44106	1.9
69.03440	9.4
69.07079	11.9
69.27882	15.8
79.05512	18.3
81.07072	29.3
82.07400	3.9
83.05019	4.1
83.08627	5.3
85.06579	3.4
86.47959	1.7
88.17713	2.0
91.04964	2.9
91.05492	30.5
92.05792	3.3
93.07060	43.8
94.07359	4.1
95.04993	20.8
95.08618	27.0
95.55694	2.1
96.05315	1.9
97.06509	2.5
103.05500	3.8
105.04500	2.4
105.06387	3.6
105.07042	52.3
106.07337	4.2
107.08620	32.1
109.06525	7.8
109.10165	22.1
111.08096	4.8
115.05476	4.9
116.06174	2.0
117.07046	14.8
119.04926	2.2
119.07801	3.8
119.08601	62.2
120.08889	4.4
121.06504	6.7
121.10162	36.3
122.07301	3.0
122.10466	4.4
123.08074	19.0
123.11732	4.9
128.06239	7.5
129.07062	14.1
130.07759	6.3
131.08597	24.2
132.08983	2.4
133.06494	5.0
133.10153	29.2
134.10533	2.1
135.08087	9.9
135.11719	14.6
137.09641	18.4
141.07016	4.2
142.07822	10.0
143.08594	28.9
144.09309	6.3
145.10150	46.6
146.07286	3.7
146.10492	10.2
147.08055	25.0
147.11723	9.9
149.09613	9.2
151.07581	9.7
151.11208	2.6
153.07028	3.4
155.08572	14.2
156.09328	9.7
157.10164	30.9
158.10683	6.4
159.08080	8.0
159.11716	22.4
161.09622	8.3
161.13277	5.7
163.11154	6.5
165.07001	3.9
165.09125	43.8
167.08620	4.3
167.10704	22.1
168.09163	4.6
168.11038	4.8
169.10141	18.6
170.10747	8.4
171.11723	20.6
172.12088	2.0
173.09586	4.7
173.13268	9.7
174.10289	2.4
175.14876	6.7
176.57883	1.9
179.08565	4.8
181.10103	12.4
181.12122	4.6
182.10857	6.2
183.11691	18.0
184.12199	3.8
185.09634	4.1
185.13219	10.4
187.11127	4.0
187.14761	6.5
189.12717	7.2
191.14392	3.1
193.10106	5.7
194.10788	5.4
195.11702	15.0
196.12297	6.6
197.09654	3.5
197.13306	14.0
198.13803	4.3
199.11087	4.9
199.14961	2.1
200.11746	3.6
203.14365	22.3
205.10193	3.0
206.10971	2.9
207.11665	7.9
207.13817	5.0
208.12242	5.4
209.13316	13.8
210.13759	3.2
211.14767	10.6
213.16400	2.1
215.14195	2.3
219.11607	3.0
220.12273	3.6
220.14444	4.6
221.13269	5.7
221.15367	100.0
222.13782	3.3
223.11218	3.9
223.14796	7.2
224.15251	3.2
225.12775	5.6
225.16185	3.5
230.10776	2.2
232.14569	2.1
233.13239	5.0
233.15436	9.7
234.13806	3.6
234.15919	5.2
235.14793	5.6
236.15187	2.6
237.12680	2.3
237.16376	4.8
239.18013	2.4
246.16011	3.1
247.14751	3.7
247.17014	3.5
250.12845	2.4
250.16920	2.8
261.16382	4.0
263.17761	3.2
265.19446	2.7
273.18661	4.3
274.19162	2.9
275.17798	3.2
277.19452	3.4
286.19278	3.7
287.20175	3.4
298.19293	4.0
299.19983	8.9
300.20551	3.7
311.19653	3.1
312.20435	4.3
312.39859	2.2
335.19986	3.8
336.20203	3.9
336.26218	2.4
338.22284	3.9
339.22568	2.4
351.22971	4.1
352.23932	18.7
353.24380	21.6
363.22992	2.5
364.23541	5.4
365.24689	5.3
374.07724	2.0
377.24344	3.3
435.28583	2.8
437.30560	3.0
444.29956	4.9
445.30649	15.3
473.33942	6.8
490.35565	4.7
491.35071	12.1
503.34943	7.3
565.40021	7.7
583.41364	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.03943	3.0
55.01864	0.9
55.05515	6.4
56.94089	0.8
57.07088	6.3
59.04996	3.3
60.07425	0.9
65.03942	1.1
67.05508	10.5
69.03436	8.2
69.07069	4.8
69.23705	2.7
69.24129	5.5
69.61570	0.8
69.94754	0.8
73.87505	1.1
77.03947	1.7
79.05497	15.1
79.05916	1.6
81.03438	1.0
81.07069	19.7
83.04997	4.4
83.08617	2.9
85.06549	2.5
91.05486	22.6
93.07055	30.3
95.04989	6.2
95.08617	17.8
95.09177	1.7
97.06538	3.3
103.05485	1.2
105.04552	1.3
105.07037	39.0
107.08605	19.6
107.09304	1.5
109.06538	4.8
109.10166	13.0
111.08065	5.0
115.05462	1.4
116.06281	1.7
117.07040	8.6
119.08594	39.1
121.06541	5.1
121.10147	20.3
122.07267	1.5
123.08080	12.3
123.11736	2.9
125.06011	2.0
125.09624	1.8
128.06218	4.2
129.07002	7.3
130.07773	2.1
131.08583	16.3
133.06519	1.9
133.10139	24.2
135.08060	9.6
135.11694	10.7
137.09625	17.2
139.07549	1.2
139.11234	1.1
141.07013	3.0
142.07791	8.4
143.08575	12.6
144.09366	4.2
145.10146	26.2
147.08061	22.2
147.11693	8.1
149.09648	4.4
151.07565	9.0
151.11301	1.3
153.07057	1.6
153.09154	0.9
154.07805	1.1
155.08545	5.3
156.09372	7.0
157.10141	16.3
158.10898	1.9
159.08107	1.6
159.11699	14.9
160.12576	1.0
161.09616	4.8
161.13275	7.3
163.11168	4.7
165.06958	2.5
165.09128	47.2
166.07874	1.4
167.08620	2.9
168.09404	2.8
169.10143	9.7
170.10936	3.1
171.11708	12.5
172.12532	1.0
173.09673	2.9
173.13310	7.3
175.11250	2.1
175.14822	5.7
179.08582	3.8
179.10794	1.6
180.09262	2.0
181.10196	5.5
181.12239	3.0
182.10976	3.0
183.11691	10.9
185.13290	7.0
187.11197	2.0
187.14862	8.0
189.12737	2.8
191.14313	1.5
192.09399	1.6
193.10197	2.6
194.10939	3.8
195.11731	6.5
195.13582	1.5
196.12524	1.3
197.11751	1.4
197.13298	7.5
199.11282	1.4
199.14830	2.5
201.16393	1.7
203.14337	18.2
205.10199	1.9
205.15855	1.5
206.10902	2.3
207.11765	4.1
207.13875	4.8
208.12463	1.8
209.13339	8.5
209.15211	1.5
210.14127	1.5
211.14923	4.0
213.16397	1.6
217.15904	0.9
219.11830	1.3
220.12503	2.1
221.13371	4.2
221.15372	100.0
223.14908	3.6
224.11897	1.0
225.16406	1.7
227.14447	1.0
233.13329	2.0
234.14035	1.4
235.14890	3.7
237.16429	2.1
239.14391	1.2
239.17857	1.2
247.14656	1.3
247.16965	1.6
249.16499	1.5
251.17836	1.4
259.14865	1.0
263.18088	1.2
265.19531	2.1
267.21109	1.4
275.18045	1.3
277.19446	2.0
287.20285	1.8
291.21039	1.6
297.22266	1.0
299.20346	1.9
311.24258	1.0
325.21750	0.9
352.24002	1.8
357.25760	1.1
365.24933	1.2
375.26868	1.0
377.24744	1.3
378.25504	1.2
394.14731	0.9
397.27127	1.1
411.29083	2.5
437.30573	1.3
454.35901	0.9
463.32501	1.0
473.33945	6.2
491.35266	6.9
493.35037	2.0
503.35172	4.1
565.40320	6.3
583.41370	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	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01883	2.8
55.05509	15.0
57.07081	13.6
59.05008	3.2
60.30786	1.8
65.03948	5.0
67.05514	26.4
69.03438	10.8
69.03758	2.3
69.07076	18.2
69.20183	18.2
77.03947	1.9
79.05499	24.7
81.07066	34.1
83.03593	1.7
83.04985	5.6
83.08617	7.4
85.06545	4.3
90.65133	1.6
91.05491	49.1
93.07058	55.1
93.07633	3.5
95.04989	11.0
95.08622	40.3
97.06540	7.9
98.21518	3.5
99.09235	2.4
103.05482	3.4
105.04545	2.8
105.07046	71.6
107.04970	2.8
107.08604	43.2
107.09294	3.0
109.06512	8.7
109.10162	20.1
111.08112	3.2
112.39382	1.6
112.66212	1.7
115.05466	6.9
116.06248	2.1
117.07032	17.9
119.08597	82.8
121.06540	5.1
121.10155	45.0
121.11019	2.3
123.08089	19.7
123.11742	8.3
125.09635	1.9
128.06241	14.0
129.07018	16.6
130.07863	8.4
131.08592	34.5
133.06522	3.5
133.10156	42.9
135.08087	12.0
135.11714	14.3
137.09630	12.5
141.06982	10.1
142.07800	23.9
143.08578	41.1
144.09380	6.9
145.10138	48.3
147.08067	18.8
147.11707	17.7
149.09694	6.5
149.13287	2.3
151.07568	18.7
151.11290	1.8
153.06970	2.6
154.07832	2.7
155.08556	18.2
156.09360	22.1
157.10156	48.3
157.50993	1.5
158.10936	6.9
159.08107	4.7
159.11703	25.4
161.09698	6.7
161.13271	7.9
163.11183	8.7
165.07040	7.9
165.09145	36.9
166.07780	3.5
167.08585	12.4
167.10719	12.7
168.09370	8.8
169.10136	30.5
170.10924	10.1
171.08041	1.8
171.11728	29.2
172.12502	3.0
173.09660	5.7
173.13286	22.8
175.11272	6.2
175.14841	8.7
177.09183	3.7
178.07764	2.4
179.08543	14.2
180.09386	5.3
181.10173	18.3
181.12314	6.0
182.10934	10.4
183.11719	29.4
184.12517	5.2
185.09677	2.4
185.13271	19.4
187.11227	2.9
187.14893	7.7
189.12794	7.1
191.08710	2.8
191.14375	7.8
192.09367	5.4
193.10167	14.6
194.10913	12.2
195.11702	23.9
196.12517	7.7
197.13272	23.9
199.11221	2.9
199.14880	16.7
201.16383	4.4
203.08708	1.9
203.14352	13.9
204.09351	1.9
205.10184	5.4
206.10951	9.1
207.11761	18.2
207.13898	6.5
208.12489	8.6
209.13300	26.8
209.15125	2.1
210.14072	3.9
211.11241	3.9
211.14777	11.1
213.12729	1.7
213.16440	5.1
215.14374	2.6
217.10194	5.8
217.15933	9.1
218.11018	4.9
219.11742	10.8
219.17604	2.2
220.12486	6.9
221.13318	16.2
221.15327	71.2
222.14026	4.1
223.11372	3.0
223.14833	15.1
224.15620	3.9
225.12755	2.1
225.16464	7.9
227.14293	3.5
231.11699	5.5
231.17462	3.1
232.12534	4.2
233.13318	9.4
233.15434	5.8
234.14032	4.2
235.14781	10.8
236.15617	3.4
237.12790	2.6
237.16484	8.6
239.14322	2.5
239.18079	4.3
243.11670	3.5
243.17523	2.7
244.12427	2.9
245.13155	8.0
246.14090	7.1
247.14824	10.5
248.15639	5.1
249.16301	9.5
251.18050	6.1
255.17422	1.9
257.13388	4.7
257.19125	7.0
259.14841	5.7
260.15659	5.8
261.16489	9.2
262.17224	2.2
263.18069	5.4
265.19669	7.3
269.19040	4.0
271.20581	2.8
273.16501	6.1
274.17047	1.8
275.18042	7.8
277.19531	4.0
279.21246	2.5
281.18967	2.9
283.20575	14.7
285.16281	3.3
287.17651	2.4
287.20316	3.3
289.19443	4.1
293.19150	2.8
295.20724	4.2
297.22144	5.1
299.20279	2.4
300.20923	2.8
301.19476	3.5
303.20999	3.0
307.20749	2.7
315.21136	2.1
317.22733	2.6
329.22644	2.1
331.24319	6.3
333.22150	2.3
335.23798	3.1
342.95837	2.0
348.24481	3.0
349.25378	7.4
351.23245	1.8
357.26089	3.7
361.25449	3.9
365.24762	4.2
373.25403	3.3
375.26907	9.0
403.30035	9.1
491.35156	5.6
503.35352	6.6
509.34113	3.9
547.39459	5.2
565.40399	23.6
583.41547	100.0
584.42200	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
53.59918	1.5
55.05515	10.3
57.07089	8.1
59.04986	3.4
60.64062	1.7
65.03947	3.6
67.05222	1.8
67.05511	19.3
68.39940	1.8
69.03423	7.5
69.06759	2.0
69.07073	17.1
69.24433	8.3
69.24861	7.2
75.46694	1.7
77.03883	2.6
79.05501	24.9
79.60394	1.7
81.07063	28.5
83.04994	7.9
83.08620	7.9
85.06548	6.5
91.05484	44.4
93.07053	51.0
95.04971	7.1
95.08614	33.4
97.06538	7.8
103.05499	2.1
105.04527	2.6
105.07034	62.6
107.08600	44.5
109.06527	8.6
109.10162	21.5
115.05453	3.6
117.07024	16.1
119.08591	66.5
121.06544	5.0
121.10149	54.0
122.07284	2.2
123.08073	16.9
123.11716	7.4
125.05995	1.8
125.09628	4.5
128.06223	10.7
129.07002	17.5
130.07787	4.1
131.08580	31.6
133.06519	3.9
133.10135	35.8
135.08058	7.8
135.11711	15.1
137.09665	8.0
139.07539	2.0
139.11206	4.0
141.06961	9.9
142.07793	19.0
143.08566	32.9
144.09352	7.2
145.10129	47.9
147.08067	10.8
147.11670	13.4
149.09630	10.7
149.13315	2.2
151.07549	13.3
151.11200	2.1
153.07005	4.6
154.07832	4.0
155.08554	14.3
155.10677	2.6
156.09351	19.0
157.10139	41.7
158.10957	5.7
159.08089	5.8
159.11707	22.0
161.09639	6.0
161.13272	10.1
163.11234	4.8
165.07008	5.9
165.09099	14.0
167.08537	10.3
167.10687	34.7
168.09364	7.2
169.10132	23.4
170.10881	8.3
171.11696	23.3
173.09669	4.2
173.13280	20.2
175.11284	4.6
175.14864	8.1
178.07924	2.0
179.08572	9.5
180.09377	5.2
181.10155	13.2
181.12234	3.9
182.10956	7.1
183.11703	16.7
184.12440	3.8
185.09674	2.2
185.13275	17.8
186.37584	1.7
187.11261	2.7
187.14835	8.0
189.12828	5.7
191.14323	5.6
192.09406	6.4
193.10158	11.6
194.10931	12.4
195.11705	18.7
196.12514	5.9
197.13272	21.9
199.14861	12.7
201.12769	2.5
201.16391	2.3
203.14369	8.4
205.10178	2.7
206.10948	7.4
207.11736	19.7
207.13840	9.2
208.12526	8.6
209.13268	21.9
210.14090	2.0
211.14911	10.4
212.97673	1.9
213.12677	3.9
213.16489	3.3
215.14386	4.3
217.10216	3.5
217.15926	5.8
218.10765	1.9
219.11659	8.9
220.12479	6.5
221.13280	11.4
221.15434	30.6
222.14088	3.7
223.11201	1.9
223.14787	12.1
224.15657	2.1
225.16452	7.3
227.14374	4.2
227.17892	1.7
231.11703	5.1
231.17546	2.6
233.13252	6.9
233.15427	9.0
234.13985	3.6
235.14796	14.9
237.16524	5.2
239.18024	3.6
244.12575	2.2
245.13329	5.5
246.14171	2.3
247.14894	7.7
248.15790	3.1
249.16405	10.0
250.17065	2.2
251.17976	6.1
253.15779	1.9
257.13232	3.8
257.19098	7.0
258.14063	2.3
259.14948	4.7
260.15707	3.0
261.16403	5.5
262.17374	2.6
263.18005	5.5
265.19531	4.3
269.19034	4.5
273.16360	3.4
275.17920	9.6
277.19650	6.0
279.17969	2.3
279.21204	3.4
281.19186	3.5
283.20624	9.9
287.17792	3.1
289.19492	3.7
291.21246	2.5
293.19202	2.7
295.20599	5.2
297.22052	2.3
299.20297	2.1
301.19333	3.1
303.17850	2.8
307.20767	2.1
309.22211	2.6
311.17459	2.1
315.21103	1.9
319.20886	2.2
331.24405	5.1
333.22241	2.8
335.23630	3.7
347.23419	2.3
349.25351	4.8
357.25894	2.4
361.25266	3.2
373.25555	2.5
375.26999	3.7
403.29984	8.4
427.30722	1.7
465.31470	2.3
491.35013	3.1
503.35379	2.7
547.39630	4.7
565.40430	25.5
583.41479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.6
52.41626	1.8
53.03943	6.1
53.38013	1.8
55.01873	2.7
55.05519	14.7
57.07084	10.0
57.42493	1.8
59.05005	3.7
65.03956	2.8
67.05505	23.5
69.03127	1.9
69.03425	10.1
69.07071	16.3
69.94460	4.5
69.94850	4.8
71.13113	2.2
72.14673	2.0
76.33523	1.7
79.05495	25.1
81.03461	2.7
81.06583	3.2
81.07059	36.6
83.04984	5.1
83.08604	8.7
85.06535	7.6
91.05482	42.9
93.07047	62.3
94.47845	2.0
95.04981	12.3
95.08609	34.5
97.06534	4.5
97.10196	3.3
103.05485	7.2
105.04527	2.5
105.07030	79.8
107.08592	47.4
109.06527	9.8
109.10162	23.0
111.08105	3.7
115.05475	6.7
116.06290	2.4
117.07008	22.3
119.08588	89.1
121.06527	6.5
121.10144	49.4
123.08046	15.7
123.11722	6.2
125.05984	4.7
125.09638	3.1
128.06221	13.8
129.07014	19.8
130.07787	9.0
130.88687	2.0
131.08577	38.5
132.29018	2.1
133.06516	4.0
133.10147	39.7
135.08073	9.8
135.11673	16.3
137.09630	12.6
139.11256	3.8
141.06985	12.2
142.07791	27.2
142.78755	2.0
143.08557	46.5
144.09367	8.0
145.06575	2.1
145.10127	51.8
147.08046	18.8
147.11681	16.8
149.09639	7.3
149.13303	3.6
151.07547	13.1
153.07007	9.1
154.07758	3.9
155.08559	22.9
156.09357	23.9
157.10133	56.8
158.10938	9.8
159.08072	3.9
159.11700	28.2
161.09633	8.2
161.13293	9.2
163.11179	8.9
165.07007	8.2
165.09122	34.1
166.07782	3.4
167.08618	12.5
167.10651	10.5
168.09354	7.6
169.10124	31.5
170.10938	11.3
171.08160	2.0
171.11681	35.4
173.09698	4.7
173.13264	21.1
175.11174	4.4
175.14821	9.7
177.09050	2.2
177.12747	2.1
178.07832	2.7
179.08580	17.2
179.10031	2.3
179.10626	1.6
180.09419	7.3
181.10123	21.1
181.12192	9.5
182.10934	11.3
183.11694	27.9
183.13203	2.4
184.12486	8.1
185.09636	2.5
185.13252	19.7
186.50348	1.9
187.11278	2.7
187.14821	8.7
189.12793	7.3
189.16406	1.9
191.08685	2.8
191.14348	9.5
192.09395	7.2
193.10150	16.8
194.10895	10.8
195.11711	24.6
196.12538	4.2
197.09898	2.2
197.13266	23.6
199.14832	14.7
201.12796	3.1
201.16449	2.3
203.14346	18.5
205.10176	6.3
206.10956	8.2
207.11743	20.6
207.13829	6.2
208.12534	7.4
209.13258	32.0
209.15126	3.2
210.14014	3.8
211.14845	12.6
213.12784	3.6
213.16460	3.7
217.10205	5.7
217.15929	12.3
218.10886	4.5
219.11729	8.5
220.12560	7.1
221.13295	18.0
221.15439	74.9
222.14067	5.7
223.14836	13.5
225.16414	5.8
227.14320	2.3
229.15865	2.2
230.10942	2.7
231.11769	7.3
231.17503	3.7
232.12579	6.3
233.13277	11.9
233.15451	7.2
234.14030	5.3
235.14851	11.0
236.15514	1.9
237.16443	7.9
239.18073	4.8
243.11632	2.2
243.17511	3.9
244.12567	6.2
245.13301	6.9
246.14160	5.8
246.16663	1.9
247.14815	9.4
247.17065	3.6
248.15582	3.4
249.16318	9.0
250.17232	2.3
251.18065	5.0
253.19768	2.4
257.13132	2.7
257.19046	6.1
258.14108	2.9
259.14932	6.2
260.15747	4.0
261.16345	11.8
262.17166	2.2
263.18033	6.9
265.15799	2.1
265.19574	6.5
269.19000	4.0
271.14871	3.3
271.20499	2.3
273.16406	5.4
274.17148	3.9
275.17859	10.9
277.19687	4.3
279.21326	3.1
283.20599	15.3
285.16071	2.6
285.18787	2.5
286.19559	2.8
287.20248	4.9
289.19623	5.6
293.19083	3.3
295.20532	3.8
297.22345	5.4
299.20392	2.3
301.19376	2.4
309.22067	2.5
329.22781	3.8
331.24292	4.8
343.24301	2.2
347.23679	3.2
349.25308	8.6
352.24335	2.4
361.25388	3.6
365.24881	4.3
375.27087	9.8
403.30191	7.3
425.29446	2.0
491.35040	6.5
503.35300	7.9
509.34103	2.7
547.39563	3.4
565.40259	21.6
583.41504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01889	4.8
55.05510	12.7
57.07076	25.1
57.66024	4.4
59.05005	6.5
67.05510	23.3
69.03423	6.2
69.07069	15.7
71.08624	6.5
71.55465	6.3
76.37771	4.0
79.05493	30.2
81.07068	40.9
83.04980	6.6
83.08600	6.9
85.06557	8.6
89.06036	44.1
91.05486	49.5
93.07044	58.4
95.04969	25.7
95.08616	32.4
97.06564	5.7
105.07038	75.3
107.08612	48.8
109.06522	14.5
109.10161	14.8
109.37334	4.4
115.05432	7.7
117.07024	25.8
119.07793	8.2
119.08582	93.5
120.08932	12.6
121.06499	7.4
121.10141	38.2
123.08099	34.2
128.06268	7.9
129.06998	19.7
130.07776	11.1
131.08592	51.6
133.08623	21.8
133.10135	39.2
134.10497	5.5
135.08044	19.0
135.11720	13.3
137.09622	16.6
141.06976	7.0
142.07817	15.9
143.08566	40.7
144.09340	13.1
145.10133	84.2
147.08047	26.4
147.11694	20.6
148.08623	8.0
149.09612	13.8
151.07547	15.5
155.08540	16.0
156.09335	13.0
157.10141	53.8
158.10953	11.1
159.08104	5.5
159.11722	47.3
161.09636	18.1
161.13266	6.7
163.11194	20.0
165.09151	41.1
166.09525	7.4
167.08595	10.5
169.10150	26.3
170.10864	9.4
171.11707	29.5
172.12381	5.7
173.13232	16.4
175.11211	18.8
175.14835	8.5
177.11263	9.1
180.09413	8.2
181.10091	13.1
181.12265	9.5
183.11737	20.0
184.12247	5.4
185.13257	18.9
186.13820	5.2
189.12720	6.5
190.13518	7.6
191.14317	9.0
193.10161	6.5
193.12334	6.0
194.10782	8.8
195.11716	14.5
196.12411	9.7
197.13214	17.0
199.14868	8.6
201.16484	6.9
203.14357	17.9
205.01692	5.7
207.11742	7.6
207.13899	5.3
208.12440	5.3
208.14449	7.8
209.13251	15.8
210.13963	5.2
211.14801	9.0
212.15309	6.3
213.12823	4.3
221.13345	9.0
221.15361	82.0
222.15773	15.5
223.14740	7.2
234.16216	7.3
237.12932	6.0
237.16457	9.2
247.16934	10.2
253.15749	4.4
259.16986	15.6
273.18695	5.2
274.19345	16.6
275.14288	4.9
286.19131	9.5
287.14584	4.5
287.20047	12.6
294.31775	4.9
299.20004	4.9
300.20932	13.4
300.29004	4.6
311.29352	10.4
325.21713	10.0
337.21606	7.3
352.24026	76.6
353.24811	7.7
365.24698	21.9
366.25635	18.4
371.22830	7.2
412.29349	5.7
446.31760	6.2
491.35367	21.5
492.35458	28.2
504.36008	100.0
584.42090	50.9
584.56030	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	584.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48540	2.4
53.03942	4.7
55.05519	21.0
57.03433	5.4
57.07082	12.8
59.04992	3.9
65.03939	4.2
67.05514	94.2
69.03432	4.5
69.07075	23.8
70.06585	4.4
71.05003	15.8
71.08640	5.7
71.55244	2.5
75.58499	2.4
79.05502	28.4
81.07061	58.3
83.05001	3.9
83.08623	18.8
85.06535	5.9
87.04479	4.0
89.06042	23.5
91.05489	37.4
93.07051	39.3
94.07359	3.0
95.04945	9.8
95.08613	45.5
97.06540	8.5
97.10203	4.6
105.07043	41.6
107.08601	25.4
109.06516	7.0
109.09470	3.5
109.10168	57.2
111.08070	5.1
113.09603	2.7
115.05471	2.3
117.07022	10.2
118.44183	2.4
119.08592	46.6
120.08893	2.9
121.06449	2.8
121.10149	21.4
123.08064	11.7
123.11716	7.3
125.09635	2.5
128.06268	3.7
129.06978	7.1
131.08578	16.2
133.08644	13.8
133.10135	26.2
135.08098	6.0
135.11757	11.8
137.09615	9.9
141.06992	3.9
142.07802	3.9
143.08589	14.7
144.09320	3.8
145.06468	4.8
145.10141	34.3
146.10521	3.6
147.08047	7.0
147.11690	10.8
149.09593	4.4
151.07523	3.0
155.08629	6.2
155.10666	4.0
156.09375	5.3
157.10153	14.3
158.10722	3.6
159.08060	2.9
159.11732	14.9
160.08835	13.9
160.12166	3.8
161.13277	7.5
162.82547	2.6
163.11220	6.0
165.06990	2.7
165.09097	8.3
165.16776	2.2
167.08505	3.5
168.09235	2.9
169.10123	9.0
170.10840	3.7
171.11696	9.3
173.09618	3.1
173.11772	4.2
173.13148	4.6
174.13509	3.0
175.14798	7.4
177.11246	5.2
181.10066	5.5
181.12280	3.5
182.10725	3.5
183.11684	9.4
185.13232	7.1
187.14882	5.2
189.47830	2.3
191.14392	2.7
193.10162	4.1
194.10570	3.0
195.11678	7.6
196.12379	2.9
197.13266	6.8
199.14804	6.1
203.14330	4.7
207.11743	4.0
209.13304	5.0
210.13901	2.8
211.14899	3.8
221.13426	4.3
221.15373	23.8
222.15695	8.3
223.14983	3.5
235.14970	2.5
237.16232	3.1
251.17950	3.0
255.15990	4.8
261.08154	2.5
273.16098	3.1
286.19427	4.5
287.18365	15.1
300.29037	5.9
311.29532	7.5
313.21201	2.8
337.27493	34.9
352.24075	4.2
371.22748	8.7
449.45776	2.6
491.37381	100.0
492.35895	7.6
504.35828	7.8
517.39124	4.9
549.41614	38.1
584.42041	20.2
584.56049	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	585.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
54.18739	0.4
55.01880	0.7
55.05511	1.3
56.96557	0.8
57.03445	0.6
66.24425	0.4
67.05502	1.9
69.03427	0.7
69.07063	1.1
69.87363	0.9
69.87772	1.6
70.06593	1.0
79.05504	1.7
81.03423	1.9
81.07063	1.8
83.04995	0.9
83.08624	0.6
84.04509	0.8
84.08158	0.5
85.02906	1.3
86.09715	2.0
91.05481	1.7
93.07056	1.6
95.04968	1.3
95.08652	0.5
97.02872	0.5
97.06551	2.3
97.10176	0.9
98.20766	0.5
105.07045	1.3
107.04978	0.7
107.08589	0.8
109.02903	2.6
111.04471	0.9
115.05442	0.5
117.07067	0.7
119.08605	0.8
121.10178	0.6
122.09667	2.1
125.09698	0.5
127.03933	0.8
129.07004	0.6
135.04433	0.6
135.32005	0.4
137.05933	0.6
137.44757	0.4
145.02902	0.6
145.10191	0.6
147.04474	0.9
149.09671	0.5
153.01814	0.7
160.11218	1.6
161.05956	0.7
163.03952	3.4
189.05412	0.8
203.05316	1.2
211.07788	0.4
213.01566	0.5
244.99893	0.4
259.07669	1.0
259.09857	1.4
273.14960	1.0
295.15332	0.5
301.14539	1.8
311.05478	2.2
331.09961	0.6
335.18283	0.5
349.20029	1.2
375.83966	0.5
387.41064	0.5
393.13080	0.6
423.14545	2.3
423.23734	1.7
457.20456	2.9
471.22186	1.9
493.18600	0.7
497.23553	1.7
513.28748	0.5
539.18286	0.7
567.20197	0.5
567.29736	1.4
568.25342	1.1
585.28870	100.0
586.29218	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	585.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59887	0.7
53.03953	5.9
55.01882	4.8
55.05508	1.5
57.03424	2.8
61.02926	3.3
67.05504	3.5
67.88974	0.7
68.99789	2.8
69.03082	1.5
69.03437	24.2
69.07054	2.0
71.04986	2.5
71.28931	1.1
71.29264	0.9
73.02916	4.4
73.16125	0.7
75.36691	0.6
76.00685	0.7
79.05505	6.2
81.03424	20.5
81.07074	5.8
81.82416	0.8
83.01369	1.0
83.04990	2.0
83.08629	0.7
85.02911	48.9
87.00840	18.0
89.03883	0.8
91.03942	1.1
91.05486	5.6
93.07054	8.6
94.00494	0.7
95.04952	1.6
95.08620	7.5
97.02905	13.7
97.06541	1.7
99.04459	9.4
103.23051	0.7
105.01881	15.1
105.07043	9.5
107.04977	1.7
107.08601	15.4
109.02892	23.2
109.06532	1.4
109.10159	7.5
115.03966	0.8
115.94824	0.6
117.01850	3.0
117.06982	1.0
119.08604	8.5
120.01202	0.8
121.06480	1.3
121.10152	12.8
122.07233	0.8
122.09692	1.8
123.08041	1.6
123.11710	2.2
125.09640	0.9
127.03931	39.6
129.01857	2.8
129.07047	1.4
131.08566	3.2
131.73145	0.8
133.10165	4.3
135.08073	25.5
135.11688	6.5
137.09619	6.2
137.13327	1.1
143.08566	0.8
145.04974	13.8
145.10136	3.0
147.02916	2.3
147.11699	7.1
149.09618	13.2
149.13252	1.5
151.11191	1.1
157.10181	2.2
159.02919	12.4
159.11734	3.0
160.11258	1.7
161.09618	3.9
161.13257	4.9
163.03932	3.2
163.11215	1.4
165.12756	2.1
167.10649	1.0
169.10272	0.9
171.11719	1.7
173.09802	1.1
173.13277	1.8
175.11159	3.5
177.04042	0.7
177.12772	1.2
179.14384	1.7
183.11774	1.1
185.13371	1.3
187.14838	1.3
189.03922	1.9
189.12721	1.5
197.15286	0.9
199.14897	2.2
203.15691	1.1
213.03938	2.7
219.81262	0.8
229.15834	0.9
231.05025	10.2
255.21091	2.4
265.19449	1.2
271.20554	2.9
283.20660	6.9
289.21259	1.1
301.21652	7.1
319.22714	21.5
337.23761	100.0
338.24203	1.8
367.04202	0.8
585.19324	1.5
585.28735	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	585.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83756	0.4
53.03945	0.5
55.05291	0.3
55.05518	2.8
57.03433	0.7
57.07076	0.7
63.24607	0.3
63.30035	0.3
67.05514	5.2
69.07071	3.7
70.02185	0.8
70.02580	0.7
71.08627	0.4
79.05495	2.2
81.07064	6.3
83.04977	0.5
83.08627	2.1
91.05479	2.1
93.07034	2.3
95.04948	0.6
95.08151	0.4
95.08624	3.9
97.06562	0.5
97.10178	1.1
98.21400	0.5
105.07030	1.4
107.08593	1.5
109.10188	1.9
111.08137	0.4
112.71646	0.3
119.08588	1.8
121.10167	1.2
123.11722	0.7
131.08575	0.6
133.10152	1.3
135.11748	0.9
142.07716	0.4
143.08580	0.6
145.10130	0.8
147.11682	0.5
159.11768	0.4
163.11179	0.5
165.09138	0.5
171.11859	0.4
177.86983	0.3
221.15428	0.4
222.15735	0.6
248.67819	0.4
249.11002	32.2
278.54633	0.4
305.13571	3.2
337.27496	1.5
409.31448	0.4
487.33621	0.5
585.37616	100.0
586.37848	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	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
54.17269	0.8
55.01860	2.5
60.34850	0.8
63.45220	1.0
63.58397	1.0
65.03936	2.3
67.05490	1.8
67.93703	0.9
69.03432	1.1
69.56574	1.2
70.06597	4.8
71.55041	1.5
75.04469	3.5
78.04700	2.8
79.05484	2.0
81.07062	0.9
84.08133	1.4
85.02895	4.3
86.09706	2.0
89.03918	1.5
89.05994	1.3
91.05488	11.9
93.03413	12.2
93.07043	3.5
95.04968	3.0
97.02921	1.6
97.06519	3.2
102.16847	0.9
103.05489	6.6
105.03384	1.7
105.04514	1.4
105.07042	6.0
106.04186	24.8
107.04954	1.7
109.06506	1.5
111.04431	1.0
119.04935	2.0
121.02894	1.7
121.06517	25.0
123.04420	1.2
125.06026	5.6
129.10292	1.1
131.04947	2.4
133.02847	2.8
133.06526	4.4
134.03644	4.4
137.05995	6.1
139.07532	2.8
145.02840	1.4
147.04462	1.6
148.05188	2.9
149.05994	40.6
151.07550	2.4
153.05417	1.1
153.09105	12.0
161.05997	9.5
163.07530	3.2
165.05539	1.4
166.06285	1.0
177.05481	23.8
179.07094	2.3
181.08609	22.2
191.07063	13.6
193.08636	6.8
209.08109	100.0
245.48215	1.0
254.91547	1.0
292.87744	0.9
358.19693	1.0
573.18146	1.1
592.49951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56768	4.7
56.12269	4.8
64.02831	5.1
67.71251	5.4
67.97414	5.9
69.96333	20.0
70.06601	86.0
84.04519	58.6
84.96036	7.9
85.32756	6.6
98.97572	17.8
110.97574	12.2
116.07106	68.4
119.01929	7.7
128.98613	7.1
130.05020	16.6
143.00188	5.2
143.01878	13.7
145.37285	5.2
148.12314	5.5
155.01839	7.8
158.99707	8.5
161.02901	7.7
170.99684	9.4
177.02502	6.2
182.08093	15.0
185.02985	14.9
201.00677	9.1
203.04073	7.5
228.08713	14.1
245.05157	26.5
245.11362	100.0
261.02866	16.0
279.03973	6.1
321.04788	6.3
343.00723	15.0
361.00278	11.4
458.05777	52.5
466.29599	6.7
472.03839	66.7
482.98593	6.3
519.46411	5.7
543.10510	29.8
551.07660	13.4
555.08167	5.6
569.08759	12.8
587.10364	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38724	7.9
70.06310	7.5
70.06603	87.8
70.56812	12.7
70.57167	22.4
83.79536	6.9
84.04517	82.2
84.61039	7.2
98.97623	15.1
116.07108	88.0
130.05020	17.1
149.64252	6.8
182.08147	13.6
201.00717	7.1
228.08745	11.5
245.05104	16.5
245.11369	100.0
261.02899	10.4
279.03946	8.8
289.97940	9.0
305.07666	8.5
334.54654	8.2
343.00372	13.4
450.61890	8.3
458.05807	20.2
472.03845	36.1
551.07245	9.5
555.07990	7.8
587.10297	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	587.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
55.01872	9.1
55.05515	25.8
57.03444	15.2
57.07064	5.7
58.36530	2.5
65.03930	5.5
67.05508	87.3
69.03428	3.1
69.07073	17.6
71.01363	7.0
71.04990	2.6
77.95302	2.6
79.05495	57.9
81.03425	34.8
81.07062	63.1
83.04973	8.1
83.08629	13.7
91.04954	4.5
91.05484	41.8
93.07050	59.1
95.04980	66.8
95.08619	52.6
95.09171	1.9
97.06512	4.4
97.10176	10.7
105.07043	29.8
107.04956	14.6
107.08609	29.1
109.02884	13.5
109.06518	8.7
109.10165	24.0
111.08103	3.8
115.05440	3.2
117.07037	20.7
119.08591	26.6
121.06528	8.2
121.10141	27.3
123.04430	68.6
123.08091	5.6
123.11697	4.3
125.09632	8.2
129.07008	9.8
131.04956	4.2
131.08575	20.7
133.06496	5.4
133.10150	14.9
134.03964	2.7
135.08084	10.1
135.11713	19.2
137.05952	3.7
143.08553	8.7
145.06464	4.4
145.10123	28.0
147.08038	8.9
147.11661	11.6
149.09608	7.5
149.13239	5.5
152.31169	2.8
153.09117	5.5
155.08528	5.1
157.10161	5.0
159.11694	5.6
161.13231	5.5
163.11203	22.2
165.12823	3.4
165.18283	2.9
169.10182	4.7
171.08102	3.8
171.11761	12.5
173.09668	11.2
173.13235	5.1
187.11179	2.7
187.14835	3.4
189.11192	3.9
189.12776	9.9
191.10674	3.6
197.13280	3.1
199.11197	5.5
199.14851	2.4
207.12065	2.6
207.13753	14.8
209.13132	2.5
217.12195	13.5
221.15329	3.7
229.59381	2.5
235.10968	6.3
235.13292	90.4
243.21075	4.4
253.14415	3.7
261.22171	9.8
291.15775	3.7
309.16983	63.4
309.20358	4.6
335.25803	100.0
353.46219	2.4
376.59360	3.1
477.33456	4.4
495.35013	4.5
495.82632	2.7
551.37384	3.6
569.30133	3.7
569.38409	53.9
587.39734	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	587.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.7
55.01872	7.1
55.05303	2.6
55.05523	30.7
56.97260	2.0
57.03447	11.9
57.07074	4.4
65.03944	6.6
67.05517	90.5
69.03438	2.8
69.07085	15.3
69.18356	23.0
71.01368	4.0
71.05005	3.9
79.05508	69.7
81.03432	30.5
81.07072	63.3
81.68258	2.4
83.04987	5.2
83.08627	12.8
91.04979	3.0
91.05499	35.3
93.07064	53.1
95.04987	58.3
95.08627	43.8
97.06539	4.4
97.10197	8.0
98.21530	4.9
105.07064	26.8
107.04989	12.2
107.08611	36.2
109.02896	15.6
109.06525	8.7
109.10173	20.8
111.04453	3.6
111.08125	3.1
117.07046	17.5
119.04987	3.8
119.08599	21.1
121.06526	7.9
121.10152	22.6
123.04456	73.0
123.08098	3.3
123.11756	5.3
125.09649	6.6
129.07027	15.3
131.04970	2.6
131.08603	19.6
133.06470	4.2
133.10205	12.6
135.08067	8.8
135.11708	19.0
137.05972	5.1
143.08606	8.7
145.06476	4.9
145.10149	20.8
147.08047	6.8
147.11696	7.1
149.09627	5.2
149.13292	5.2
153.09102	5.7
155.08633	2.4
157.10149	3.7
159.11653	4.3
161.13289	6.1
163.11223	18.2
163.14923	2.8
169.10136	3.6
171.11784	13.9
173.09666	9.5
173.13289	5.2
189.11244	4.1
189.12770	12.2
191.10699	5.4
199.11124	5.2
207.13837	16.5
215.48415	2.5
217.12262	13.9
235.13326	90.8
261.22226	9.2
309.17014	57.8
335.25854	100.0
382.63568	2.8
477.33456	4.7
495.34314	3.9
551.37280	3.2
569.38458	57.2
587.39697	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.3
55.01862	7.5
55.05516	28.9
57.03427	18.5
60.32310	5.2
67.05513	94.1
69.07064	21.7
71.55932	7.6
79.05498	63.8
81.03430	29.7
81.07068	71.6
83.04979	8.7
83.08626	11.9
91.05497	40.3
93.07056	53.7
95.04976	74.0
95.08631	42.6
97.06519	7.8
97.10179	13.1
105.07029	30.0
107.04962	20.9
107.08610	35.9
109.02877	14.8
109.06533	9.6
109.10178	22.8
111.08098	5.5
116.61139	4.7
117.07029	21.6
119.08604	30.9
121.06509	8.5
121.10149	20.9
123.04449	78.9
123.11596	5.2
125.09610	6.7
129.06995	15.2
131.08577	16.6
133.10147	13.1
135.08035	7.2
135.11732	24.2
139.07750	5.2
143.08580	10.8
145.10138	24.4
147.08060	14.6
147.11676	14.4
149.13194	7.2
153.09062	7.0
157.10213	5.7
159.08003	5.2
161.13246	8.2
163.11198	14.5
169.10135	6.1
171.11670	11.8
173.09671	13.0
173.13365	6.9
189.12865	8.2
207.13821	15.2
217.12241	15.5
235.13312	89.8
261.22192	10.6
265.22623	4.8
307.82956	5.9
309.17010	68.2
335.25821	100.0
551.36511	5.1
569.31366	5.8
569.38483	64.1
587.39539	13.9
587.82123	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	588.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.5
55.01877	11.8
55.05510	7.2
57.03447	8.3
58.35729	2.2
61.02929	5.9
64.25706	2.6
67.05515	20.7
68.99802	5.4
69.03439	45.2
69.07075	18.4
70.06599	3.0
70.08128	9.6
71.04989	8.8
73.02924	7.6
77.30639	2.2
79.05487	14.3
81.03428	30.6
81.07069	36.8
83.08646	6.3
85.02915	100.0
85.06546	26.0
87.00842	36.5
91.05487	12.5
93.07065	30.2
95.04995	4.1
95.08625	34.8
97.02904	27.9
97.06527	7.1
97.10207	3.4
99.04462	15.8
99.08075	3.2
103.03991	2.7
105.01888	26.9
105.07042	22.5
107.08621	27.1
109.02890	41.9
109.06458	3.1
109.10163	23.4
111.08073	2.9
113.09624	2.7
117.01844	3.7
117.07022	4.1
119.08589	25.0
121.10178	21.8
123.11709	17.9
125.09642	3.2
126.05493	2.6
127.03929	65.9
127.04807	5.1
129.01823	4.1
129.06979	2.9
131.08569	15.0
133.10146	13.7
135.11673	18.6
137.09653	2.8
137.13246	3.7
139.11186	7.7
142.07825	2.7
143.08591	10.5
145.04991	24.4
145.10132	20.2
147.04468	2.9
147.11710	17.2
149.13249	12.0
153.01817	4.2
153.12697	2.8
157.10158	10.7
159.02930	21.2
159.11684	13.5
161.13254	14.2
163.14815	13.4
165.12756	6.2
171.11687	7.2
173.13338	13.8
175.14865	7.9
177.12794	5.0
185.13345	8.5
187.14883	9.2
189.16396	5.6
191.14426	2.9
199.14795	9.6
201.16418	5.4
201.38890	2.4
203.18031	3.4
205.15831	3.7
213.04039	4.7
213.16431	7.7
217.15900	4.5
219.17531	4.8
226.93115	2.8
227.17990	4.6
229.19565	6.9
231.05017	19.9
241.19576	3.0
243.21184	5.2
245.22711	6.1
247.20564	8.9
249.06261	3.7
257.22754	2.9
259.24170	3.0
263.23810	3.9
269.22668	22.4
287.23691	39.7
289.76221	2.9
305.24820	28.7
323.25864	15.5
517.27869	3.7
523.29327	2.9
535.28876	5.5
588.21460	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	588.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05050	0.8
57.03434	0.4
58.06602	0.6
58.63528	0.3
60.07874	0.5
60.08173	7.0
62.88468	0.3
65.64964	0.3
67.05521	0.8
69.07064	0.4
69.40392	2.1
71.07381	3.1
72.75597	0.3
78.86945	0.3
79.05494	0.7
81.07071	0.3
86.09714	34.0
91.05477	0.4
95.08623	0.6
98.20804	0.8
98.98483	4.3
104.10746	3.0
109.10181	0.4
119.08620	0.4
125.00018	21.8
131.08521	0.4
143.08629	0.4
184.07358	100.0
433.03461	0.3
564.71436	0.4
570.35297	1.0
588.36719	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	588.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01862	2.1
55.05518	18.5
57.03436	10.5
57.07075	7.5
63.60902	1.7
67.05511	14.4
69.07076	21.4
70.09872	3.4
70.10255	4.0
71.08625	5.2
79.05504	10.3
81.03425	52.6
81.07062	11.2
83.08619	22.5
85.10177	3.6
91.05507	9.1
91.65333	1.5
93.07034	5.6
95.04980	11.5
95.08612	8.6
97.10178	13.7
105.07024	9.5
107.04989	3.6
107.08592	2.9
109.06509	4.2
111.08078	4.3
111.11718	3.9
119.08571	7.4
121.10117	5.6
129.07008	5.8
131.08548	6.0
133.10117	2.6
135.11731	2.7
145.09979	1.8
147.11697	5.8
149.09653	3.2
157.10124	4.1
175.11205	4.5
181.67471	2.0
189.99608	1.7
193.12251	16.1
214.41260	2.0
240.34341	1.7
249.14955	1.7
267.15936	100.0
276.83127	1.9
296.29504	1.8
311.25815	58.9
313.27396	3.0
354.78253	1.7
503.30392	3.4
503.37396	44.8
553.39728	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	588.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51504	1.9
55.05305	2.0
55.05517	18.5
57.03451	14.6
57.07071	8.8
67.05506	13.1
68.52541	2.0
69.07072	20.0
69.31973	19.8
71.04989	2.5
71.08626	8.1
79.05496	9.9
81.03427	52.3
81.07069	14.9
83.04984	3.0
83.08627	25.7
86.58627	2.1
91.05505	13.6
93.07049	8.6
95.04960	13.2
95.08594	6.8
97.06541	2.9
97.10169	10.9
98.20760	3.3
105.07034	9.4
107.08595	4.9
107.56837	2.2
109.06483	3.6
109.10169	4.9
111.08077	6.8
111.11749	3.3
119.08607	8.0
121.06528	3.1
121.10168	5.2
129.07016	6.1
131.08578	7.7
133.10172	4.0
147.08093	3.6
147.11667	5.0
149.09630	6.2
157.10124	7.4
163.11218	2.5
175.11212	6.6
192.49226	2.2
193.12248	16.8
230.14948	2.2
243.63116	2.2
251.12515	2.8
267.15933	100.0
311.25827	60.9
313.27280	5.1
503.37369	49.2
569.25208	2.7
588.39478	30.8
588.47485	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	589.246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	21.3
61.80264	8.1
68.84245	9.3
69.16981	100.0
71.51437	8.5
72.08159	65.3
84.04515	45.6
85.02887	16.9
96.37228	9.4
98.97615	18.3
118.08627	53.6
119.01987	10.2
184.09717	20.3
203.80376	9.2
219.01842	15.1
219.05392	17.7
221.05107	12.5
237.02850	12.3
245.05150	19.6
247.12900	78.4
248.07281	10.7
261.03043	12.0
265.06070	15.9
277.00153	26.7
285.08167	14.7
333.10007	11.2
379.10477	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	589.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30670	0.2
51.54830	0.2
53.03944	0.6
55.01879	0.4
55.05515	3.4
57.03439	1.1
57.07084	3.6
63.02398	0.4
67.05508	4.9
69.07079	3.2
70.99912	0.5
71.08640	3.8
76.71040	0.2
78.04714	0.5
79.05044	0.4
79.05492	3.1
81.03420	0.6
81.07067	5.5
83.05000	0.6
83.08629	2.3
85.06552	0.3
85.10194	1.0
89.03405	0.4
89.03926	6.0
91.05477	2.8
93.07053	4.0
95.04980	0.9
95.08616	4.6
97.06526	0.7
97.10182	1.0
99.08089	1.4
103.05480	0.3
105.04539	0.4
105.07051	1.4
106.04158	0.4
107.04936	0.4
107.08611	2.0
109.06522	0.5
109.10139	1.5
111.08076	0.4
111.11815	0.3
117.03389	14.9
117.07009	0.6
119.08595	1.1
121.06470	0.3
121.10141	2.1
121.29288	0.2
123.11717	0.5
129.07008	0.4
131.08562	0.5
133.10136	1.1
134.03673	1.2
135.04388	1.2
135.11702	2.3
137.09618	0.4
145.02855	40.6
145.10205	0.3
147.11690	0.5
149.05997	4.6
149.13266	0.6
151.11209	0.8
158.06015	0.4
159.11700	0.3
161.13264	1.1
162.03133	0.5
163.03920	1.1
163.11221	0.4
163.14754	0.2
175.14806	0.4
177.05482	100.0
178.05888	0.5
179.14334	5.7
181.98434	0.3
186.05496	2.6
195.06531	1.3
214.81926	0.3
221.15536	0.3
235.16943	0.3
243.72440	0.3
251.09290	0.7
253.14107	1.5
253.93535	0.3
259.20529	0.6
277.21680	5.3
295.22839	0.3
309.16690	0.3
313.27408	0.8
314.27744	0.4
384.95746	0.3
589.40521	12.5
589.48480	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	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
55.05513	22.5
57.03429	18.4
57.07076	49.8
65.03913	4.5
67.05508	56.0
69.07074	30.1
71.08638	44.5
75.81002	3.9
79.05494	43.8
81.07068	64.2
83.08640	23.4
85.10172	17.5
91.05479	55.6
93.07040	56.5
95.04951	5.9
95.08608	60.5
97.06511	4.2
97.10150	13.7
99.08120	5.0
105.07043	60.0
107.08601	28.0
107.30888	3.9
109.10147	22.0
117.07023	16.7
119.08586	58.3
121.10156	23.7
123.11769	5.1
129.06995	6.3
131.08578	27.2
133.10152	39.6
135.11690	19.6
141.21416	4.3
143.08533	5.8
145.10085	23.0
147.11707	48.5
147.69443	4.5
149.13235	16.8
151.11150	6.9
155.21277	4.3
157.10139	8.2
159.11726	20.8
161.13255	34.2
163.11240	4.3
171.11685	8.2
173.13249	9.3
175.14844	11.2
179.14273	9.1
185.13303	6.0
199.14883	7.4
231.21118	7.5
237.83647	4.2
239.23643	4.2
241.19502	39.9
259.20624	79.1
261.22253	5.8
268.26227	3.8
270.40274	4.3
277.21613	10.1
311.25757	16.4
313.27393	100.0
315.23074	5.5
333.24240	46.8
335.25900	11.8
571.47205	13.7
589.48840	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	590.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
55.05509	17.0
56.96563	12.5
57.03427	15.5
61.02916	4.0
67.05503	35.3
69.03427	9.9
69.07079	11.0
69.20376	23.5
69.20799	15.2
71.05007	7.4
79.05508	25.9
81.03419	68.7
81.03864	7.7
81.07057	21.2
83.04984	15.4
83.08628	19.0
84.20572	3.5
85.02908	16.3
91.05484	35.0
93.07051	15.2
95.04975	33.5
95.08611	12.4
95.24597	3.6
96.05293	4.1
97.02863	6.5
97.06518	7.9
97.10193	9.8
98.20702	8.1
98.97585	4.2
105.07038	20.8
107.04986	7.5
107.08611	11.0
109.06506	6.6
109.10114	9.2
111.08080	12.4
117.07053	6.6
119.04900	5.3
119.08607	22.0
121.06554	5.1
121.10158	10.8
129.07005	12.9
131.08572	12.3
131.78979	3.7
133.06491	4.2
133.10120	11.3
145.10175	5.4
147.04420	16.2
147.07993	5.0
147.11661	12.7
149.09636	4.7
157.10138	10.7
173.02386	4.4
175.11189	10.3
179.27667	3.9
193.12256	41.4
203.99051	4.2
211.13254	37.3
215.07060	7.3
227.12810	6.4
229.07468	4.5
267.09213	10.1
267.15948	100.0
285.10031	7.4
285.16931	44.2
294.06461	4.0
294.81686	4.1
311.09497	4.4
330.81027	4.6
349.21280	5.7
353.17776	4.1
367.22595	9.1
376.01685	4.8
380.18875	5.0
385.23737	11.7
398.20493	14.1
418.04553	4.4
433.25870	6.7
441.26691	5.6
459.27325	35.0
477.28424	43.7
540.34515	5.3
590.34686	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	590.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02749	1.7
53.03930	3.1
55.01871	5.5
55.05515	80.6
57.03188	2.0
57.03440	22.2
57.07077	18.2
59.04981	3.4
66.64543	1.8
67.05508	83.1
69.03420	2.5
69.07071	50.0
69.28472	13.6
71.04987	3.2
71.08642	11.2
79.05491	23.3
81.03420	3.9
81.07056	25.9
83.04973	7.5
83.08622	52.5
85.02907	18.1
85.10178	4.7
87.04455	8.6
91.05466	8.3
93.07042	11.5
95.04936	2.5
95.08611	16.9
97.06514	3.8
97.10174	55.9
103.03962	2.4
105.07030	4.7
107.04993	1.8
107.08592	18.2
109.10161	56.9
111.08067	5.9
111.11707	7.5
117.07033	1.6
118.48737	2.0
119.08553	2.2
121.10127	6.8
125.09643	32.2
133.80682	1.7
135.11678	6.5
143.10675	4.2
155.10632	6.6
163.11229	3.6
173.09528	1.7
173.11732	21.5
181.12227	2.3
199.13297	22.1
209.11815	1.9
227.12849	3.7
229.12070	3.5
229.14363	59.6
237.22105	2.1
240.54123	1.7
257.13858	2.9
262.25253	7.7
280.26318	1.7
280.45343	1.7
301.16470	15.2
311.25824	100.0
339.25308	2.1
354.91507	1.9
435.34698	6.1
453.35733	14.5
465.35809	23.7
537.37537	5.9
542.15253	1.9
590.42560	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	590.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48863	1.7
53.03959	4.4
53.68871	1.9
55.01880	1.8
55.05519	71.2
56.58513	1.6
57.03440	17.1
57.07090	19.1
59.05004	4.6
65.03944	1.7
67.05515	76.4
69.03441	2.4
69.07079	55.1
69.23270	14.6
69.23676	3.4
71.08632	10.8
79.05512	20.8
81.03410	4.2
81.07075	25.6
83.04985	5.9
83.08629	49.2
85.02924	11.8
85.10213	4.7
87.04482	7.2
91.05480	10.9
93.07060	12.2
95.08630	11.1
95.63125	1.9
97.06538	5.6
97.10181	46.0
105.07032	2.8
107.08611	17.3
109.10171	57.1
111.08099	4.8
111.11740	8.4
119.08614	6.0
121.06541	2.4
121.10088	3.9
123.11694	1.9
125.09655	27.1
125.13165	2.2
135.11670	2.7
137.09671	2.0
143.10684	6.0
155.10707	3.4
163.11179	2.3
173.11752	16.4
199.13318	23.0
209.11646	3.6
219.20924	1.9
227.12747	3.7
229.14363	66.6
229.16557	3.7
237.22038	2.9
262.25320	4.9
301.16449	17.5
311.25842	100.0
339.25418	2.2
356.88126	1.9
387.53394	2.0
392.49197	2.1
435.34705	6.1
453.35983	10.5
465.35760	27.0
537.37769	6.1
590.42969	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	590.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
53.99688	1.8
55.01865	5.8
55.05516	92.9
57.03445	28.9
57.07082	27.2
59.05003	4.7
60.15960	1.8
65.03940	3.1
65.49380	2.0
67.05510	77.8
69.03420	4.9
69.07078	52.8
70.94479	3.7
70.94814	2.8
71.01361	4.5
71.04996	4.5
71.08646	16.0
77.58489	1.9
79.05500	29.3
79.68224	2.1
81.03417	4.7
81.07071	35.9
83.04993	6.4
83.08630	46.8
85.02905	17.8
85.10190	8.7
87.04467	9.2
91.05486	11.4
93.07053	16.4
95.08610	22.3
97.06561	3.4
97.10183	59.1
103.03943	3.2
105.07047	5.9
107.08601	20.5
109.02826	2.3
109.10166	50.6
110.10473	2.8
111.08082	3.9
111.11735	8.2
119.08591	7.2
121.10158	5.1
123.11675	2.6
125.09638	36.5
133.10123	2.5
135.08057	2.5
135.11700	6.2
137.09593	3.8
143.10681	7.2
145.10136	2.1
147.08034	2.5
153.12729	2.3
155.10733	5.3
163.11185	4.4
172.26453	2.0
173.09689	2.5
173.11742	15.6
199.13298	22.9
209.11728	3.6
213.26875	2.5
225.11299	2.6
227.12846	6.2
229.14375	46.6
237.22289	3.1
266.39645	2.2
267.15915	6.4
283.15579	2.6
299.14966	18.0
301.16452	21.5
311.25830	100.0
313.27429	30.0
339.25269	3.4
435.34531	6.5
453.35727	16.9
465.35889	17.2
505.38977	4.1
537.38055	16.9
555.38507	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	590.464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31834	2.7
52.44287	2.4
55.05502	11.3
57.03429	10.0
57.07083	34.0
67.05224	2.8
67.05515	30.1
69.07073	13.7
70.48525	3.5
70.48893	8.7
71.08641	27.0
72.08954	3.7
79.05496	14.5
81.03423	38.2
81.07059	26.8
83.05002	3.9
83.08628	19.2
85.10175	14.4
89.03919	10.4
91.05487	20.5
93.07037	15.9
95.04983	8.4
95.08626	23.7
96.08939	3.3
97.10185	6.2
98.21426	2.7
99.08091	7.7
105.02377	2.6
105.07038	12.1
107.08595	8.1
109.06534	5.2
109.10193	12.8
117.03386	14.1
118.03783	3.2
119.08582	8.8
121.10148	10.1
129.06978	5.7
131.08540	4.9
133.06473	2.9
133.10152	7.5
135.11716	3.7
136.12074	3.9
145.02866	43.0
146.03195	12.1
147.11742	3.4
149.05934	3.2
149.13292	3.8
157.10025	5.2
175.11174	3.1
177.05489	100.0
178.05826	35.3
179.14313	20.1
180.14664	11.7
193.12227	13.6
259.20578	3.6
260.20923	4.1
262.25192	2.8
267.15952	54.0
277.21674	12.8
278.21927	13.1
288.36719	2.5
313.27383	63.8
314.27740	2.8
505.38910	43.4
590.40643	39.2
590.49573	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01878	1.7
55.05500	1.6
56.65714	1.2
57.03421	1.6
65.03955	1.8
67.05495	1.9
68.99790	2.4
69.03429	1.8
69.40606	3.4
69.41028	7.2
70.06609	2.3
74.00760	1.3
79.05488	2.1
81.03435	6.8
83.04957	1.6
85.02916	17.2
86.29839	1.4
89.03926	7.3
91.05489	3.8
93.03415	2.2
93.07037	1.3
95.04977	9.7
97.02920	1.5
98.20729	1.8
99.04455	17.1
103.03950	17.2
105.03405	1.3
107.04958	2.1
109.02888	27.1
114.65201	1.3
117.03424	6.5
117.04234	1.3
119.04919	4.2
120.08120	2.9
121.02889	8.2
121.06522	1.4
123.04438	8.1
127.03939	20.5
131.04962	2.2
132.62164	1.3
134.03647	1.6
135.04434	9.6
137.05975	5.0
142.55847	1.3
143.68007	1.3
145.02924	2.2
145.04945	10.2
147.04416	4.7
149.02342	5.0
149.06013	8.4
151.03932	9.9
151.07570	2.3
153.01776	3.5
159.04454	2.5
161.02335	2.1
163.03912	29.6
165.01860	17.2
167.03433	2.1
169.05023	3.1
175.03851	2.2
177.01878	57.5
177.05478	100.0
179.03488	2.0
183.02892	8.7
187.03865	10.5
187.05716	1.2
187.29851	1.3
189.01877	8.6
191.03404	67.4
193.01286	2.8
193.05032	1.4
195.02913	14.9
203.03351	11.2
205.01360	2.0
205.05016	3.9
207.02879	10.8
209.04552	4.6
210.42484	1.4
211.06047	1.9
215.03391	20.0
217.01302	9.2
217.04942	1.7
219.02899	95.2
229.07071	2.8
231.02858	2.9
233.04446	6.7
235.02386	1.5
235.06126	1.4
237.03954	6.4
243.02916	23.0
245.04492	3.3
249.03928	2.3
261.03964	59.7
279.04996	23.3
287.05664	1.6
297.06064	18.8
315.08685	5.8
321.06107	1.7
327.08652	59.5
328.08939	1.4
343.08313	6.7
361.09460	1.5
365.10434	1.8
367.22028	1.8
369.05212	2.9
369.09723	50.2
379.10278	3.0
387.06943	1.8
393.09656	19.4
399.10944	1.7
405.08136	9.8
411.10828	34.1
423.09329	8.4
429.11020	13.2
429.16452	3.7
441.10431	11.7
447.12921	13.5
524.65631	1.5
537.13678	2.1
555.14777	1.9
573.16583	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	591.2074
Annotation	Amorphigenol O-glucoside
Peak:m/z	Relative Intensity
51.08189	0.4
57.03427	0.5
59.40530	0.4
63.68265	0.3
69.55485	0.8
69.55894	1.9
95.04958	0.4
97.43983	0.3
102.87025	0.3
141.07002	0.5
151.03778	0.3
153.01839	1.7
153.05518	0.6
153.49615	0.4
159.07941	0.4
160.72205	0.4
163.03899	0.5
167.03418	30.4
171.04436	3.0
177.05515	0.5
185.06023	0.6
186.06871	0.4
187.07550	3.6
189.05484	2.0
201.09230	0.6
219.06563	0.6
255.10376	0.4
267.06589	0.5
269.08182	0.5
279.06647	0.4
279.10266	0.4
281.04465	1.2
282.05237	0.7
282.08774	0.7
292.07327	0.5
295.06042	1.0
296.06982	2.4
297.04135	0.5
297.07547	1.1
297.11273	3.8
303.06802	0.4
307.09561	2.0
309.07721	0.5
309.11191	0.4
310.04721	2.4
310.08444	1.1
311.05530	1.3
311.09073	0.7
312.06296	1.2
320.06790	0.4
321.07498	0.7
323.05539	3.0
324.06668	0.4
325.07095	18.8
325.10782	14.9
337.07181	1.5
338.07855	4.0
353.06631	0.8
353.10233	21.9
397.12872	43.3
398.13181	0.5
429.15494	100.0
430.15909	1.2
591.20654	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	591.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90544	0.3
69.07062	1.0
69.25377	0.7
69.25702	3.3
79.05486	1.3
84.04501	0.4
85.17133	0.4
92.13917	0.3
97.05912	0.6
97.06540	10.9
111.65989	0.3
142.54440	0.4
167.48515	0.4
187.80499	0.3
216.94618	0.4
256.03653	1.9
257.04446	0.6
258.05109	0.4
271.06039	27.7
272.06726	2.8
286.04767	4.2
297.04248	0.4
299.05359	0.5
300.06305	8.1
301.07065	4.5
339.08926	0.4
360.58627	0.4
382.10559	0.7
397.12863	75.9
398.13181	1.3
429.15482	100.0
430.15677	1.8
475.58060	0.4
523.63293	0.4
591.20618	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	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
54.21996	0.2
55.01888	0.2
55.05510	0.3
67.05501	0.5
67.28331	0.2
69.03430	0.6
69.07071	1.0
69.23669	0.4
69.24075	1.4
70.06609	0.5
71.05017	0.2
79.05506	1.1
81.03438	0.3
81.07063	0.9
83.04962	0.2
85.02904	0.9
85.06544	0.3
93.07021	0.3
95.08627	0.3
97.02895	0.3
97.06542	9.5
105.07048	0.3
107.08622	0.3
109.02904	0.3
109.10164	0.3
109.12814	0.2
111.08095	0.3
118.06945	0.3
121.10168	0.3
123.11736	0.6
127.03932	0.4
127.11237	0.2
128.56456	0.2
139.70012	0.2
153.01820	0.2
163.03905	0.3
167.03426	0.4
188.96010	0.2
229.04924	0.4
243.06630	0.2
256.03766	1.1
257.04572	0.8
258.05338	0.9
271.06036	19.5
272.06802	3.1
273.07648	0.5
285.04059	0.5
286.04755	11.3
287.05099	0.2
292.55283	0.2
299.05444	0.4
300.02759	0.2
300.06308	9.5
301.07080	22.0
307.26523	0.3
311.05615	0.3
311.09045	0.3
327.08670	0.5
339.08701	0.3
369.13339	0.5
397.12860	71.2
398.13159	1.0
429.15482	100.0
430.15817	1.3
484.16473	0.2
591.20654	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	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05297	1.7
55.05514	16.9
57.03438	15.7
57.07078	44.8
61.85807	1.6
65.03949	2.5
67.05508	63.8
68.05838	1.9
69.07075	19.9
71.08636	31.1
71.55729	2.5
79.05065	3.4
79.05495	49.2
79.16968	1.9
81.07062	68.7
83.04964	1.7
83.08611	17.0
85.06532	4.0
85.10189	16.7
89.06042	3.3
91.05480	24.2
93.06471	3.5
93.07048	56.9
95.04973	6.0
95.08614	58.1
97.06527	2.2
97.10165	6.8
99.08122	2.8
101.44108	1.7
105.07033	16.0
107.08603	32.8
109.10162	22.4
111.08051	2.1
113.09674	2.0
117.07008	4.8
119.08586	13.5
120.21826	1.6
121.06540	2.1
121.10159	23.2
123.11726	9.5
123.12483	1.8
125.09659	1.9
131.08568	16.8
133.10146	11.0
135.11719	17.6
137.13261	5.7
145.10139	12.5
147.11696	10.6
149.13266	14.4
153.12740	2.5
159.11726	6.8
161.13245	6.8
163.14847	13.3
173.13281	8.9
175.14886	3.9
177.12646	2.0
177.16338	4.2
186.56763	2.0
187.14832	5.0
189.16359	2.3
198.68501	2.2
213.39397	1.6
233.22572	3.2
239.23746	3.5
243.21094	26.5
257.24866	2.0
261.22177	63.5
279.23334	1.7
313.27393	100.0
314.27725	5.8
317.24728	9.8
335.25800	70.7
396.25098	1.6
451.04315	1.7
506.38760	2.4
573.48785	21.1
591.38983	10.2
591.48163	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	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10034	1.6
52.42649	1.4
53.03933	5.3
55.05516	21.5
57.03443	14.6
57.07079	48.4
65.03928	2.9
67.05510	78.6
69.07073	18.7
71.04970	1.8
71.08235	1.8
71.08635	31.4
77.66726	1.6
79.05498	46.8
81.07063	86.7
83.08638	17.8
85.06544	2.7
85.10200	16.8
86.20055	1.5
89.06010	2.9
91.05481	23.6
93.06475	3.3
93.07050	56.6
95.04953	3.5
95.08614	65.3
97.06499	2.4
97.10147	6.9
98.21528	4.2
103.07565	1.8
105.07042	15.7
107.08601	31.4
109.10166	30.2
111.08117	2.0
111.11664	2.8
113.09566	1.9
117.07005	7.4
119.08576	13.5
121.10150	25.1
123.11700	17.6
131.08577	16.1
133.10149	12.8
135.11696	18.3
137.13271	6.7
145.10152	11.4
147.11676	10.5
149.13290	13.1
151.14825	2.5
159.11720	10.7
161.13286	6.4
163.11369	1.6
163.14844	7.8
173.13303	9.9
175.14810	4.3
177.32140	1.5
187.14803	4.7
188.90767	1.7
201.16466	1.5
214.38570	1.9
229.42599	1.7
229.44876	2.1
233.22621	2.1
239.23691	5.1
241.34846	1.7
243.21136	17.0
257.24673	2.2
261.22147	62.0
277.21646	1.8
299.23489	1.9
305.24838	1.8
313.27396	100.0
314.27707	1.8
317.24820	11.8
335.25818	68.4
573.48608	20.9
591.49603	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	592.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01865	2.9
55.05270	2.1
55.05517	32.4
57.03183	1.5
57.03441	16.7
57.07079	40.8
59.04992	3.1
67.05512	60.3
68.05834	2.0
69.03418	2.5
69.07073	14.0
69.51624	4.9
69.52043	3.6
71.04988	1.5
71.08283	1.7
71.08640	24.5
75.04444	1.3
79.05502	17.0
81.03409	2.1
81.07066	36.2
82.07386	1.9
83.04975	3.8
83.08629	22.2
85.02911	13.1
85.06544	1.8
85.10187	13.6
87.04482	7.6
89.06023	1.9
91.05494	6.1
93.07055	8.2
95.04974	1.6
95.08611	27.9
97.02925	1.6
97.09543	1.8
97.10170	25.1
98.21516	1.4
99.11724	1.7
103.03934	1.8
105.07042	2.0
107.04932	1.5
107.08612	11.3
109.06444	1.6
109.10165	45.7
110.14139	1.1
111.08132	1.6
111.11722	1.9
117.07029	1.4
119.08571	4.6
121.10127	3.1
123.11707	2.8
125.09643	22.0
131.08514	1.8
135.11693	2.4
137.09583	1.6
137.13226	1.3
143.10692	3.4
145.10100	2.2
149.13318	1.2
153.12700	1.8
155.10678	3.3
163.11154	3.6
163.86693	1.1
173.11731	12.9
191.10527	1.2
199.13292	15.1
218.01741	1.1
221.22876	1.2
227.12746	4.8
229.12090	2.1
229.14369	42.9
239.23679	5.9
241.35962	1.2
243.21188	1.4
257.24832	2.6
261.22168	2.0
262.22498	2.3
283.15375	1.8
301.16415	10.2
313.27396	100.0
314.27655	4.4
335.25867	2.6
336.26010	2.1
411.36261	2.4
412.36633	7.8
437.36166	4.4
445.20593	1.2
455.37619	8.1
460.22659	1.7
466.19403	1.2
467.31424	1.7
467.37363	18.1
499.19379	1.3
533.25732	5.4
539.39325	5.3
593.27533	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	592.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88865	5.0
53.80325	4.7
55.05514	49.3
57.03429	18.9
57.06844	5.0
57.07083	39.6
59.05005	7.3
67.05511	62.4
69.07055	14.5
69.19009	57.8
71.08640	29.8
79.05494	15.7
81.07046	26.5
83.08606	19.1
85.02886	17.9
85.10170	16.5
87.04453	15.1
89.06014	5.5
95.08615	37.8
97.10161	29.9
98.21447	10.0
107.08602	14.0
109.10172	47.3
125.09639	30.7
163.11145	7.5
168.01863	5.3
173.11728	14.4
199.13300	18.1
227.12740	8.7
229.14278	35.6
262.64365	6.1
283.15100	8.9
301.16473	17.8
313.27347	100.0
361.84348	5.5
445.45020	5.5
455.37274	10.9
467.36899	13.0
539.39264	7.5
592.26434	16.7
593.40259	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01884	3.7
55.05514	37.6
57.03443	16.9
57.07080	39.7
57.34644	1.1
59.05011	2.5
67.05510	60.5
68.05843	1.5
69.03433	2.1
69.07067	14.5
71.05001	3.0
71.08636	29.7
75.04456	1.2
79.05497	19.4
81.03445	1.8
81.07063	37.3
82.07401	1.5
83.04985	3.7
83.08617	17.5
84.08961	1.4
85.02906	14.8
85.06551	2.7
85.10184	17.2
87.04477	8.8
89.06032	2.5
91.05486	7.9
93.07032	9.7
94.07377	1.6
95.08612	30.4
96.08962	1.5
97.02869	1.8
97.06510	1.7
97.10178	23.8
98.21548	2.9
103.03955	2.0
105.07046	2.4
107.04977	2.5
107.08592	13.7
109.10162	44.7
111.04480	1.3
111.08077	2.4
111.11752	1.7
117.07025	1.6
119.08577	5.3
120.75991	1.1
121.10145	3.8
123.11723	5.0
125.09638	21.7
127.94221	1.2
130.91757	1.1
131.08542	3.1
133.10170	1.9
133.41893	1.2
135.11697	2.5
137.09583	1.5
137.13261	2.1
143.10693	3.3
145.10156	2.0
149.13243	1.4
155.10699	3.3
159.11746	1.1
163.11192	2.8
165.16386	1.4
173.11783	14.0
173.13214	2.2
199.13304	15.1
209.11688	1.2
227.12807	3.8
229.14366	38.3
239.23665	6.2
243.56206	1.2
244.21408	1.5
257.24713	2.2
261.22055	2.6
262.22562	2.9
280.40625	1.3
283.15448	2.9
285.53134	1.3
301.16531	12.3
313.27377	100.0
314.27795	7.4
335.25784	2.8
336.26135	3.1
341.26947	2.2
411.36172	4.2
412.36560	15.1
414.88596	1.3
431.18607	1.8
437.36221	5.3
445.19919	1.9
455.37393	9.7
460.22675	2.9
461.23367	1.9
467.37436	18.1
502.21133	1.2
533.25421	8.1
539.39520	2.7
574.48615	2.1
592.26410	1.3
593.27612	15.3
593.36542	2.0
593.40320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
52.97959	0.2
53.03931	0.3
55.76561	0.2
56.05040	0.3
56.96561	0.2
57.03432	0.3
61.79064	0.2
64.08317	0.2
67.01862	0.6
67.05497	0.3
68.99778	0.4
69.03426	0.6
69.07068	0.3
70.06583	0.7
70.14150	0.6
70.14538	0.5
71.04977	0.6
72.11379	0.3
73.02898	0.3
75.04475	0.2
79.05486	0.3
81.03394	0.9
84.08140	0.5
85.02914	1.9
86.09711	3.3
91.05464	0.4
95.04980	0.5
95.08605	0.3
97.02909	0.9
97.06519	0.6
99.04478	0.6
103.03960	0.5
103.05441	0.4
105.07054	0.3
109.02897	0.9
111.04468	0.4
116.07105	0.3
120.08112	3.2
121.02877	8.1
126.05461	0.2
127.03937	1.4
131.08685	0.2
135.04434	1.5
137.02377	0.6
137.05997	0.7
139.03899	0.4
141.07063	0.3
145.02802	0.3
145.04932	0.6
147.04442	0.5
151.03893	0.3
153.01849	5.2
161.02359	1.0
161.06009	0.6
163.03928	1.4
167.03401	0.6
167.07013	0.4
171.02890	0.7
173.02354	0.9
173.05862	0.4
175.07480	0.3
177.05473	0.3
178.51274	0.2
179.03514	0.3
187.03903	0.8
191.03392	0.3
201.05470	0.3
213.05316	0.3
215.06999	1.3
215.40009	0.2
219.03116	0.4
239.13875	0.9
241.05017	0.5
257.04364	0.6
257.08115	0.3
257.15085	0.5
259.09802	0.3
265.07153	0.3
269.04459	0.3
285.03842	0.4
287.05518	100.0
288.05774	1.1
303.04761	0.4
311.12634	0.3
342.98654	0.2
391.11868	0.3
398.76074	0.3
401.09558	0.3
419.11234	0.8
431.13431	0.5
593.14948	2.4
593.22852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03485	1.1
55.04272	0.7
55.05511	1.9
56.05037	0.9
56.96554	0.7
69.03437	1.2
70.06597	100.0
71.54865	1.1
72.08163	13.7
72.08537	1.2
81.03423	0.8
83.06126	2.9
84.04510	15.9
84.08135	1.1
85.02928	1.4
85.06554	0.8
86.09721	1.0
87.05597	14.6
88.06386	1.0
88.07626	5.7
94.06591	0.7
96.04514	0.7
97.02918	0.8
97.06557	0.8
98.06050	5.5
101.07156	3.5
106.06526	0.6
109.02869	1.1
111.05582	6.1
115.08698	14.9
116.05326	2.0
118.06567	1.0
122.02397	1.2
125.07027	0.6
127.03956	0.9
129.06636	2.8
130.06580	1.8
132.08177	1.2
133.03195	0.7
134.06403	1.0
136.07594	0.9
137.06047	0.7
138.09181	2.4
139.05023	12.1
139.05995	1.1
144.08064	3.5
146.06026	5.4
148.04332	1.6
153.06601	16.5
153.07811	1.0
153.10243	2.2
155.11848	1.3
157.06181	2.2
159.09196	3.7
167.03600	0.7
170.06079	2.3
170.09264	6.6
179.08493	16.6
181.06104	15.7
181.09761	2.6
182.12892	5.6
183.11305	5.1
188.07077	13.2
198.08748	20.7
198.12410	4.8
199.09525	0.8
200.13922	3.2
200.88243	0.7
205.09773	6.9
206.05580	1.4
209.09283	2.6
221.09259	1.5
226.11874	8.5
228.13541	0.9
244.11177	1.0
252.13542	1.9
253.12357	1.9
259.07535	1.2
262.12256	13.4
262.15265	1.1
269.16046	5.1
272.10703	1.5
273.09207	2.1
280.13159	1.8
290.11710	26.3
297.15668	8.1
297.18954	1.1
304.16501	4.4
308.16153	0.7
325.18710	10.3
361.19025	9.5
371.13403	0.9
389.18539	29.9
390.19073	1.1
395.11063	0.7
413.17905	0.8
414.22113	0.7
424.19830	0.9
431.13571	2.4
431.19049	1.6
432.22720	1.5
435.16861	1.0
494.24152	1.8
529.27704	5.9
576.24957	1.8
593.27704	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	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.17027	0.2
56.19275	0.2
57.18504	0.2
69.25915	0.2
69.28487	1.4
83.01742	0.2
87.64219	0.2
106.08504	0.2
154.82108	0.2
173.97110	0.2
197.10634	0.2
223.12215	0.2
224.13083	0.2
235.12254	0.2
263.11649	0.2
298.04504	0.2
300.14816	0.3
312.15234	0.2
387.16254	0.2
388.16882	0.5
389.17508	1.0
390.18359	0.3
391.18796	0.3
400.17126	0.2
401.17813	0.5
402.18533	1.1
403.19211	3.1
404.20123	1.2
405.20697	1.8
415.19141	0.5
416.15579	0.4
416.20160	0.7
417.16559	0.9
417.21426	3.5
418.16629	0.2
418.21835	2.0
419.22449	4.8
421.23651	0.2
429.21021	0.4
430.17294	1.3
431.18237	9.2
432.18826	2.5
432.24173	0.5
433.24222	6.5
434.24893	1.2
444.19016	0.4
445.19968	9.9
446.20856	4.8
446.26440	0.2
447.21802	5.5
449.23380	0.8
458.21472	0.2
459.21533	4.0
460.22610	11.4
461.23318	9.4
462.20178	0.4
463.21243	0.5
473.23694	1.9
474.24149	0.8
476.25708	0.8
477.23004	0.7
478.24088	0.2
487.25101	1.3
488.25934	0.2
489.26123	0.6
491.24255	0.9
492.25195	1.4
493.26154	0.2
504.21146	0.3
505.21985	5.8
506.22144	0.3
515.24640	0.4
518.23175	0.8
519.23700	1.2
533.25500	25.4
534.25818	1.0
547.27271	0.2
550.26025	0.3
561.24817	0.3
564.23895	0.5
565.28253	0.9
575.26770	0.3
578.25403	0.3
593.27582	100.0
594.27728	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	593.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.6
55.70826	0.4
55.71274	0.4
57.03439	1.4
57.07086	2.6
57.29781	0.4
58.07409	0.6
64.34998	0.4
67.05515	4.1
68.05846	0.5
69.07059	1.1
69.20328	2.1
69.20760	1.8
71.08641	2.1
72.08989	0.4
79.05492	1.5
81.07063	2.4
82.07366	0.5
83.04991	0.5
83.08624	0.9
85.02934	0.9
87.60918	0.4
93.07037	0.6
95.08636	2.0
96.08961	0.4
96.35750	0.4
97.10181	1.5
107.08592	0.6
109.10157	3.3
110.10452	0.5
125.05966	0.4
125.09649	1.6
128.70892	0.4
199.13313	0.9
227.12791	0.5
229.14410	1.8
230.14793	0.6
313.27405	4.6
314.27774	3.9
382.88879	0.5
387.16187	1.0
388.17072	0.6
389.17566	1.7
391.19812	0.5
401.17758	0.6
402.18469	1.2
403.19199	3.4
404.20029	1.3
405.20740	2.1
416.20264	0.8
417.16400	0.8
417.21234	4.3
418.21558	1.7
419.22339	3.9
430.17828	0.9
431.18240	9.5
432.19000	2.2
433.24072	8.9
434.24619	1.1
444.19061	0.7
445.20059	11.3
446.20709	4.7
447.21771	5.9
449.23468	0.8
456.37427	0.5
457.19702	0.7
459.21585	3.9
460.22617	13.2
461.23325	11.5
468.37756	0.7
473.23709	2.9
474.24252	0.8
475.20978	0.5
476.26065	1.0
477.27197	0.9
487.25107	1.6
491.24429	1.1
492.25470	1.0
505.21860	5.5
518.22815	1.0
519.24036	0.7
533.25543	43.1
534.25836	1.4
547.27148	0.7
564.23358	0.7
565.28125	0.9
575.26862	0.7
593.27643	100.0
594.27905	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69057	0.6
52.05946	0.6
55.05498	2.4
57.03429	0.9
57.07066	1.7
67.05496	2.6
69.07073	2.9
69.88198	1.0
69.88600	2.9
71.08626	1.3
74.28049	0.5
79.05463	1.3
81.07047	2.4
83.08613	3.4
91.05443	0.9
93.07050	2.2
95.08600	2.1
97.06547	0.7
97.10175	1.5
98.20676	0.6
105.07053	0.8
109.10133	0.9
119.08607	0.8
121.10207	0.9
121.79843	0.6
126.42689	0.6
131.08572	0.6
133.10143	0.6
143.08560	0.7
156.61264	0.5
187.14787	0.5
226.60239	0.5
233.11377	0.7
283.15173	21.5
311.25955	1.0
330.13364	0.6
339.17746	3.9
431.18970	1.0
447.21848	0.8
461.23599	0.7
505.26321	0.8
533.25629	1.8
593.28351	4.5
593.40216	100.0
594.40314	1.4
597.70386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98694	0.3
54.12782	0.3
55.05516	2.1
57.07074	1.4
57.23599	0.3
67.05497	1.2
69.07079	2.5
71.05006	0.5
71.08627	1.1
71.21741	0.6
79.05492	1.2
81.03466	0.5
81.07066	1.5
83.08624	2.5
85.10172	0.5
91.05495	0.8
91.57236	0.3
92.07503	0.3
93.07043	0.7
95.08616	1.1
97.10178	1.5
99.04507	0.3
105.07043	0.8
107.08601	0.8
109.10148	0.9
121.10157	0.6
125.09631	0.4
131.08533	0.4
135.11676	0.3
139.38220	0.3
147.11659	0.4
157.10187	0.4
159.11728	0.4
179.05472	0.3
213.46774	0.3
233.11469	0.8
265.14255	0.4
283.15186	12.6
311.25787	1.2
339.17731	5.1
352.59308	0.3
404.39914	0.3
431.18521	0.4
445.20419	0.4
453.98169	0.4
460.22519	0.5
461.23557	0.6
533.25250	1.0
593.40228	100.0
594.40070	1.9
594.57251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91236	1.3
53.00304	3.6
53.39300	1.1
57.03439	29.9
57.35788	1.3
61.02916	3.2
63.01390	1.3
69.03448	6.2
69.42490	10.7
71.01360	3.4
71.04987	2.3
73.02941	1.4
75.04488	13.3
80.96626	1.3
81.03432	3.2
85.02908	19.3
86.09700	1.4
91.05464	1.2
97.02890	4.4
98.21484	2.7
99.00821	49.0
101.60989	1.3
107.04963	11.3
109.02921	1.5
117.01884	2.4
119.04934	2.3
121.02861	1.1
121.28165	1.4
127.03912	3.9
145.02869	2.4
145.04974	2.5
147.04419	3.6
149.05991	1.4
157.34415	1.4
159.18611	1.5
163.03860	1.3
173.04468	100.0
177.05441	2.6
177.09074	1.8
183.08153	2.4
189.05455	6.4
207.08076	2.1
211.07561	2.8
217.04945	3.2
234.06993	2.0
235.07576	9.7
240.03116	2.1
243.10172	5.4
262.06247	2.1
263.07184	8.1
267.10236	4.1
269.03271	1.7
277.08719	4.5
280.07278	1.5
286.04462	1.6
287.05768	1.7
291.08813	7.0
295.09589	13.1
301.07114	3.7
305.08194	2.5
308.06671	1.6
323.09213	12.7
344.99326	1.6
357.08038	1.4
363.00485	5.5
364.01520	3.1
369.13293	1.5
397.12857	69.1
415.13770	2.1
501.88269	1.4
584.76910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39085	0.3
55.05531	0.5
56.05047	0.9
57.07062	1.1
58.06598	0.9
60.08169	6.3
67.05520	0.5
69.07072	0.6
70.06590	1.1
70.51465	0.7
71.07381	3.3
73.52449	0.4
81.07054	0.7
86.09713	13.7
88.07639	2.4
91.05486	0.4
95.08641	0.6
102.09180	0.9
102.92620	0.9
104.10755	100.0
105.07053	0.5
105.67690	0.4
118.92097	0.8
125.00005	0.5
126.40991	0.3
136.93138	2.6
154.94180	4.5
162.94696	2.2
172.95255	4.2
180.95744	10.2
180.97282	0.6
190.96362	1.2
192.95807	0.5
195.96957	0.5
198.96814	26.1
203.10672	0.6
203.97307	0.7
210.96745	2.1
216.97882	9.2
221.98418	2.1
226.99709	0.4
228.97934	1.6
233.98697	0.5
239.04391	0.4
239.99490	1.0
242.24776	0.5
254.24872	0.4
254.99490	1.3
256.26358	2.6
258.04236	0.5
258.77921	0.4
259.17038	1.4
295.19562	0.9
300.05133	0.4
313.20624	2.1
319.23352	0.4
331.21509	0.5
419.18805	0.9
431.19171	0.5
437.19891	0.5
443.00546	0.4
449.19733	2.3
475.21204	2.5
478.26190	6.4
520.39557	0.7
534.28778	9.5
535.24261	0.4
576.46222	4.3
594.30823	12.6
594.46411	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	594.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58845	0.3
55.05515	0.9
57.03452	0.4
57.07081	0.4
67.05511	0.8
71.55292	0.5
79.05489	0.7
81.07051	1.1
83.08639	0.4
91.05464	0.9
95.08629	0.7
98.98482	4.2
104.10751	1.2
105.07042	0.8
110.69356	0.4
116.23309	0.3
117.07019	0.7
118.06561	1.5
119.07352	1.0
119.77428	0.3
125.00017	13.3
130.06543	0.6
130.11206	0.4
131.08571	0.4
132.08188	0.4
134.09676	12.8
136.45091	0.4
144.08092	7.1
145.08884	3.9
160.11237	89.5
178.12291	5.9
183.35127	0.3
198.96797	0.5
241.15791	0.4
246.13704	0.4
258.08939	100.0
293.54306	0.4
369.22617	0.4
576.34247	0.8
594.35815	2.0
595.27582	0.4
615.29010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.2
55.10363	3.6
56.96563	5.6
57.03438	10.6
65.03946	3.7
67.05520	28.7
69.07070	7.4
69.87415	16.0
71.04998	4.7
77.94118	3.3
79.05499	27.4
81.03428	53.1
81.07061	25.7
81.20620	3.6
83.05005	4.8
83.08629	22.0
85.06564	4.9
91.05488	21.6
93.07078	20.8
94.68752	3.3
95.04970	25.2
95.08625	14.0
97.06519	6.5
97.10168	18.3
105.07040	17.2
107.04971	13.4
107.08634	18.8
109.06536	11.8
109.10193	10.3
111.08060	6.8
117.07097	6.8
119.04921	5.9
119.08601	13.4
121.06515	14.4
121.10162	9.3
123.08039	3.6
125.09644	15.9
129.07008	10.6
131.08598	12.0
133.06459	7.0
133.10161	8.0
135.08066	8.2
141.60155	3.9
145.06552	6.6
145.10164	5.9
147.04373	6.4
147.08066	8.8
149.09605	6.9
157.10150	7.1
163.11188	4.9
175.11148	7.0
189.11259	8.6
193.12320	10.8
219.13846	5.1
233.15422	4.7
267.15912	39.1
349.21594	6.3
367.22675	24.4
385.23688	33.4
403.11404	4.1
403.24905	12.4
441.26361	9.0
459.27487	100.0
472.68500	4.0
477.28516	65.0
491.30231	14.3
509.30917	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	594.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
55.05519	24.2
57.03436	10.9
65.03946	4.1
67.05510	43.4
67.05843	5.8
69.07072	16.2
79.05491	35.9
81.03414	4.3
81.07061	52.3
83.08617	13.3
91.05469	34.5
93.07046	49.3
94.35180	3.1
95.04952	6.8
95.08627	29.5
97.02890	3.4
97.06534	4.4
98.21506	9.4
99.00834	15.8
102.09239	4.0
105.07040	17.8
107.08611	24.0
109.02855	8.8
109.06541	3.7
109.10158	12.1
111.08091	3.8
117.07030	3.6
119.08620	16.1
121.06542	8.0
121.10158	14.7
123.11714	8.4
131.08585	11.1
133.10139	34.8
135.11693	11.7
143.08585	6.3
145.10094	4.2
147.11745	4.2
149.09587	3.0
149.13327	4.4
151.11183	7.9
159.11816	5.1
160.46184	3.3
161.09612	11.8
161.13243	3.9
163.14899	4.0
173.13275	3.3
179.10670	7.3
183.13316	3.1
189.09100	8.4
200.66879	3.5
225.11214	16.1
243.21217	4.1
261.22202	18.0
281.13818	4.2
283.26404	3.3
290.31369	3.4
299.14911	73.8
335.25824	100.0
381.23654	3.2
433.65039	3.1
463.68671	3.6
494.43011	3.6
559.36267	33.0
594.58051	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	595.1665
Annotation	Pelargonin
Peak:m/z	Relative Intensity
53.03947	0.4
55.01875	0.4
57.03443	1.3
61.02925	1.0
65.03964	0.3
68.99806	0.4
69.03082	0.3
69.03436	4.5
69.70103	0.8
70.06583	0.3
71.01364	0.2
71.04992	0.4
73.02911	0.6
74.18048	0.1
79.05494	0.7
81.03432	1.7
83.01334	0.3
85.02914	13.4
87.04473	0.6
91.03954	0.2
91.05497	0.7
95.04951	0.2
97.02901	2.8
97.06520	0.3
98.97626	0.2
99.04459	0.8
103.03934	0.3
105.03399	0.3
105.07025	0.4
107.04976	1.3
109.02882	1.6
110.03635	0.2
115.05453	0.2
117.07034	0.2
119.04932	0.5
121.02874	0.5
123.04436	0.2
124.05243	0.2
125.06017	0.2
127.03923	2.0
133.06496	0.4
137.02348	0.2
141.06944	0.3
145.02870	0.9
145.04941	0.9
145.06514	0.3
149.02353	1.4
151.03885	0.4
151.05098	0.2
153.01839	3.9
159.04424	0.5
161.05978	0.4
163.03946	0.3
165.01828	0.4
167.07059	2.2
169.06450	0.7
171.06447	0.2
173.05969	0.4
181.04970	4.0
187.04025	0.3
187.07581	0.4
193.08568	0.4
197.05986	0.4
201.05499	0.3
207.06641	0.2
215.07062	3.6
221.06306	0.2
221.08113	1.3
225.05446	0.3
227.07040	0.2
233.08148	0.4
237.03142	0.2
243.06577	2.8
249.07596	0.3
253.04916	1.7
254.05734	0.5
255.06557	0.4
261.07736	0.2
267.06647	0.3
271.06036	100.0
272.06326	1.2
286.04736	0.2
287.05539	0.3
295.06070	0.7
301.07098	0.5
313.07086	2.1
337.07123	0.3
340.22110	0.2
387.14163	0.3
403.13907	2.5
415.13974	1.2
417.15161	0.2
433.10730	2.1
565.19128	0.2
595.20215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
54.83130	0.5
55.01869	0.9
57.03418	1.5
58.61266	0.5
61.02916	1.6
64.48428	0.5
65.03950	4.1
67.05499	1.9
67.85225	0.5
68.99792	0.7
69.03085	0.6
69.03433	6.7
70.06599	1.4
71.04980	0.7
71.54312	0.7
73.02908	0.8
79.05499	9.9
81.03416	2.3
81.07039	0.8
82.04198	1.6
84.08151	1.0
85.02908	16.5
87.04462	0.9
91.05479	2.2
93.03384	1.3
93.07005	0.6
95.04964	4.0
97.02892	4.7
97.06536	1.3
98.97594	1.3
99.04461	0.7
103.05453	0.7
105.07048	4.2
107.04963	19.8
108.02114	0.7
109.02872	2.2
110.03661	2.5
111.04440	0.8
115.05456	1.2
117.07043	2.7
117.71563	0.5
119.04976	1.0
121.02882	2.0
122.03671	0.6
123.00842	0.6
123.04427	2.9
124.05220	4.1
125.05982	3.4
127.03934	3.1
131.04910	1.0
133.06503	6.2
137.05978	1.0
138.03105	1.2
140.04695	1.0
142.02666	3.3
145.02901	0.7
145.04982	1.5
145.06499	4.3
145.34715	0.5
149.02315	1.6
149.05978	0.8
151.03926	1.3
152.04677	1.9
153.01839	4.3
153.05475	1.0
155.06027	1.3
155.07072	1.7
159.04459	0.8
161.05977	8.6
163.03894	1.3
164.52124	0.5
167.07048	35.4
169.06523	0.8
171.06599	2.7
171.07895	0.7
172.05148	0.8
173.05965	2.7
177.05371	0.5
178.06297	1.0
181.04965	83.5
183.06508	1.3
189.05469	2.3
190.06143	0.6
193.08617	10.7
193.10298	0.9
193.17767	0.5
197.06102	0.7
201.05464	2.1
205.06560	0.6
205.08620	1.9
206.05722	1.1
207.06569	1.2
215.07057	3.5
219.01727	1.0
221.08090	18.9
233.08098	12.2
243.06589	2.9
249.07608	7.1
253.04999	1.5
253.08334	0.6
261.07578	4.8
263.07169	0.6
265.53384	0.5
271.06027	100.0
272.06387	1.1
279.08792	1.3
286.04648	0.9
287.05640	1.2
289.10205	0.5
293.09064	0.7
295.05960	1.1
301.07117	4.8
313.07037	1.6
325.07031	0.8
335.09894	0.6
337.10617	0.6
341.10291	0.6
369.13324	0.8
372.11884	0.7
383.11093	1.2
387.14212	3.0
397.12805	1.2
403.13904	48.9
404.14142	0.8
415.13913	25.1
417.15430	0.6
433.15460	8.5
565.19330	4.9
595.19897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01864	1.4
56.96550	1.1
57.03444	1.5
61.02931	1.5
65.03936	5.2
67.05498	3.1
69.03447	5.7
69.91676	0.8
70.06590	3.0
71.55766	1.3
72.08139	0.7
73.02896	1.0
78.04731	1.4
79.05498	13.5
81.03410	3.4
81.07056	2.0
82.04204	2.1
84.08125	0.7
85.02916	13.5
91.05480	2.5
95.04967	4.6
97.02905	4.4
97.06546	1.9
98.97590	0.9
103.05474	1.3
105.03408	1.0
105.04498	0.9
105.07036	3.2
107.04972	34.3
109.02894	1.8
110.03670	3.1
111.04496	1.5
115.05457	3.3
117.07015	4.1
118.33829	0.7
119.04938	0.8
121.02885	2.0
123.04436	5.3
124.05240	7.1
125.06021	5.8
127.03931	1.8
127.13696	0.8
128.46642	0.8
131.04967	1.6
133.06523	3.9
138.03107	2.1
142.02632	2.9
143.04874	0.8
145.02841	1.4
145.04965	1.2
145.05287	1.3
145.06505	10.8
147.04417	1.2
151.03935	3.4
152.04692	3.8
153.01869	2.1
153.05470	1.6
155.04980	0.9
155.06102	2.6
157.06471	0.9
161.06015	5.7
163.03937	1.4
167.07059	100.0
168.07437	0.8
171.06538	3.6
172.05132	1.1
173.06009	10.1
181.04982	79.7
183.06519	0.9
189.05441	1.0
193.08621	7.1
195.06624	1.0
201.05482	11.3
205.08615	9.5
206.05714	0.8
206.43594	0.7
219.01674	0.8
219.06512	0.9
219.10106	0.8
221.06123	1.5
221.08093	11.4
222.42166	0.9
233.05838	1.3
233.08113	18.0
235.09647	1.6
237.21538	0.8
249.07605	4.9
261.07690	1.7
270.05237	1.3
271.06027	70.0
285.07654	2.8
286.07867	2.9
287.05505	22.1
287.08194	2.2
289.07083	1.5
293.08209	0.8
301.07196	2.2
327.12204	0.8
387.14423	57.5
388.14774	0.9
403.13937	22.0
415.13931	52.7
416.14755	1.0
417.15506	25.1
433.11069	13.6
595.17084	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	595.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05523	9.4
57.03444	8.2
65.03952	2.2
67.05511	37.4
69.07082	8.1
70.84500	3.1
70.84846	2.1
79.05500	20.5
81.03427	10.8
81.07066	32.4
83.08621	4.2
85.02884	1.5
89.05210	1.5
91.05488	11.8
93.07059	23.2
95.04951	3.4
95.08615	24.0
97.06541	2.3
98.98477	27.6
99.04465	1.5
105.04523	1.3
105.07036	8.4
107.08608	11.9
109.02905	10.4
109.10164	9.5
111.08085	1.9
117.07030	2.5
119.08566	4.0
121.10158	7.0
123.11722	2.9
126.91236	1.3
127.03896	1.5
131.08554	3.3
133.10127	2.1
135.11720	5.2
145.10147	4.5
147.11711	2.6
149.13255	3.5
155.01067	2.3
156.59213	1.3
159.11745	1.8
161.13295	2.2
163.06003	2.2
164.23322	1.3
173.13274	1.7
210.32732	1.3
211.20906	1.3
225.32062	1.5
233.22734	1.5
261.03711	6.3
261.22183	4.5
277.21942	1.5
286.04678	1.5
335.07541	2.4
335.25833	100.0
336.26071	2.4
612.18085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.5
57.03428	1.3
57.07072	1.7
58.37929	0.6
67.05512	2.5
69.07086	2.8
69.20448	0.5
70.94597	0.9
70.94923	0.9
71.08652	1.0
77.09474	0.5
79.05484	1.0
81.07059	2.2
83.08630	1.9
93.07062	1.7
95.08636	1.5
97.10197	0.9
109.10178	1.9
111.08091	0.5
115.42453	0.5
119.08540	0.7
121.10154	1.2
123.22342	0.5
139.96558	0.5
195.09950	7.3
204.99899	0.6
229.14392	0.6
251.12589	2.4
285.13052	1.3
311.25848	1.5
358.76886	0.6
505.35071	100.0
506.35477	1.9
535.25946	0.7
549.37665	0.9
559.41663	0.7
577.37238	1.4
594.57855	0.9
595.28284	2.7
595.38153	11.0
595.47620	1.2
595.58118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.03424	0.8
57.07074	2.7
67.05498	2.4
69.07072	1.1
71.08620	1.8
71.55898	0.7
79.05493	1.4
81.03436	1.1
81.07071	3.1
83.08629	1.3
85.10184	0.9
89.05996	0.9
91.05488	1.5
93.07051	1.6
95.08626	2.7
107.08575	0.6
109.10146	1.4
189.16963	0.5
249.14949	0.6
283.15216	11.1
313.27579	1.2
339.17838	7.8
417.83591	0.6
595.41803	100.0
596.41840	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	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01864	9.3
55.05264	4.5
55.05517	57.7
56.96582	2.9
57.03439	19.8
59.04999	7.2
61.02924	3.2
62.06976	2.6
65.03943	3.2
67.05510	100.0
69.03436	8.0
69.07082	17.4
70.05473	7.2
70.05858	5.3
71.04988	6.0
75.04479	3.1
79.05504	24.4
80.05770	2.7
81.03426	14.4
81.07052	32.1
83.04980	11.1
83.08614	22.0
83.70966	2.7
85.02914	24.6
85.06573	4.5
87.04470	14.7
91.03918	3.7
91.05470	17.8
93.07042	17.8
95.04958	7.6
95.08617	19.5
97.02900	7.9
97.06540	8.0
97.10180	38.5
98.21485	3.6
103.03974	15.0
105.07033	10.0
107.04987	4.9
107.08590	21.4
108.91595	3.8
109.06550	3.7
109.10159	82.8
111.04491	7.9
111.08087	5.7
119.08588	12.6
121.10174	6.8
125.09643	46.0
130.38843	2.9
131.08575	6.1
133.06544	3.2
135.11682	9.4
137.09625	4.5
140.07080	4.6
143.10677	9.3
145.10196	5.4
149.09761	3.0
153.12764	11.9
155.10687	8.2
163.11197	14.2
164.11427	3.0
173.09624	4.6
173.11745	40.5
181.12238	10.4
189.11096	3.6
191.10637	5.4
193.12210	4.7
199.13309	10.5
209.11755	13.5
217.14371	5.0
227.12793	13.7
229.14365	75.0
245.13957	5.6
257.13882	21.2
283.15472	14.5
301.16437	42.5
319.17520	5.9
322.45395	2.9
399.24094	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	596.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.6
55.01867	6.2
55.05506	20.0
57.03432	15.0
57.07052	3.8
67.05505	56.8
69.07067	18.0
71.01363	4.4
71.05002	6.0
79.05499	53.7
81.03417	16.1
81.07053	64.4
83.04990	15.5
83.08624	12.3
83.70728	3.5
85.02911	6.0
91.05489	32.1
93.07058	58.4
95.04974	9.5
95.08607	45.6
97.02890	6.3
97.06547	8.1
97.10184	4.0
99.08096	3.8
105.07051	19.3
107.04963	10.8
107.08600	34.6
109.06524	4.2
109.10160	19.7
111.04448	6.0
111.08100	4.3
117.07013	14.2
119.08585	24.4
121.06493	5.2
121.10152	26.9
123.08098	6.3
131.08582	15.2
131.72421	3.3
133.10143	8.0
135.08119	4.9
135.11729	28.0
145.10124	19.1
147.08113	3.7
147.11740	7.4
149.13275	10.0
153.12772	11.3
163.11214	27.5
181.12285	7.6
191.10732	6.6
209.11697	24.7
227.12811	13.7
243.21046	4.3
261.22220	11.7
265.14294	5.4
283.15436	24.6
301.16510	59.1
335.25851	100.0
335.29849	5.6
336.25717	3.6
385.10745	5.2
406.69812	4.0
444.09412	3.8
484.16208	4.3
525.35773	5.9
543.36646	21.1
561.37866	57.2
596.38452	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49964	1.8
52.71050	2.2
53.03941	5.5
55.05522	23.2
57.02161	1.8
57.03441	14.9
57.07096	9.7
59.99408	1.8
61.05162	2.0
62.37680	2.1
65.03928	3.7
67.05510	70.4
69.03424	3.6
69.07071	25.1
69.30344	15.6
71.04990	2.4
71.08604	2.1
79.05499	32.3
81.03424	89.1
81.07066	77.7
83.04967	8.0
83.08229	2.1
83.08638	26.6
85.06533	4.8
88.07632	3.1
90.25343	2.1
91.05493	34.7
93.07050	32.1
95.04971	23.8
95.08614	48.0
97.02913	3.2
97.06517	7.6
97.10177	7.4
102.09169	2.9
105.07041	27.5
107.04990	4.5
107.08604	19.5
109.06528	4.3
109.10159	17.6
111.08089	6.0
117.07030	5.3
119.08583	23.4
121.06532	4.2
121.10147	12.3
123.08060	2.2
123.11697	6.8
125.09632	3.0
127.73409	1.9
129.06990	6.0
131.08612	11.4
133.06509	5.4
133.10149	16.2
135.11703	6.8
137.09572	3.8
141.06892	2.1
142.07687	1.9
145.10107	6.5
147.08067	4.3
147.11652	10.0
149.09621	4.6
149.13356	2.9
151.11166	3.1
155.08574	3.1
157.10158	12.7
159.11725	2.2
161.13217	3.7
163.11102	2.9
165.16373	2.1
173.13237	2.7
175.11205	7.5
175.14850	3.9
193.12230	22.1
196.65338	2.0
205.12308	2.4
227.12671	4.7
245.22739	4.4
249.14883	3.5
263.23712	8.5
267.15915	100.0
269.41568	2.0
299.14877	3.2
303.26761	3.8
311.29605	6.0
312.32416	4.6
335.26138	2.3
337.27380	91.8
338.27896	2.6
435.27420	2.8
437.34293	4.4
455.34940	5.9
512.87714	2.5
529.38910	63.5
547.39807	22.2
561.40479	2.0
596.37885	5.6
596.47534	5.0
596.59393	16.5
597.26636	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	597.3039
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.27985	1.1
53.03942	2.4
55.05518	14.5
57.03442	7.4
57.07072	3.6
65.03957	1.8
65.07044	1.2
67.05513	28.5
69.03436	2.3
69.07072	18.6
70.94529	2.7
71.08598	1.5
79.05502	12.9
81.03437	7.8
81.07065	31.6
83.04974	1.5
83.08620	9.6
85.02932	1.7
85.06556	1.3
91.05482	10.1
93.07064	13.7
95.04985	2.9
95.08618	25.5
97.06510	3.7
97.10169	5.4
97.73434	1.1
98.98482	20.6
100.17975	1.2
105.07035	6.0
107.08607	8.2
109.02872	8.6
109.10171	10.8
117.07030	1.7
119.08580	7.2
121.10159	8.1
123.08080	3.1
123.11707	4.7
131.08595	1.7
133.10172	5.8
135.11740	3.0
137.09581	1.5
139.11172	2.3
143.08531	2.1
143.30557	1.2
145.10121	3.3
147.11662	2.3
149.09615	2.2
149.13268	1.5
149.96779	1.2
151.07549	1.4
155.01025	2.8
157.10115	1.9
159.11740	1.5
161.13245	2.0
165.16440	1.4
167.10669	2.3
171.11749	1.5
172.95212	1.8
173.13286	1.9
181.10112	1.6
181.12178	1.5
183.11569	1.5
208.42860	1.3
227.12787	1.5
233.15302	1.9
245.13963	2.8
245.22739	2.2
261.03723	6.1
263.23697	3.1
287.05371	1.5
335.07254	1.6
335.25827	4.4
337.27399	100.0
431.98672	1.3
561.37836	1.8
579.25323	2.4
579.38440	2.3
597.23480	3.8
597.39618	6.7
602.15076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01894	1.4
55.05517	7.8
57.07087	8.8
59.05003	7.8
60.23583	1.3
67.05206	1.9
67.05512	13.5
69.03426	1.6
69.07069	5.6
71.08669	1.6
79.05500	9.5
81.03429	6.1
81.07077	15.0
82.03735	1.6
83.04986	14.0
83.08627	2.8
84.06957	1.3
85.06559	11.4
91.05486	10.2
93.07047	12.4
95.04968	7.0
95.08617	12.9
97.06542	5.9
105.07053	14.2
107.04969	1.7
107.08616	11.4
109.06520	1.8
109.10192	7.8
111.08075	2.1
117.07054	3.3
119.08602	20.9
121.06474	1.7
121.10159	10.6
123.08050	2.9
123.11691	2.0
125.06019	22.6
125.09646	6.8
127.22726	1.3
129.07024	4.3
129.33669	1.4
130.07823	3.3
131.08617	11.0
133.10153	12.2
135.08066	2.0
135.11699	11.5
142.07780	3.6
143.08630	6.5
145.10143	13.7
147.08031	2.8
147.11673	2.4
149.09637	1.7
151.11174	2.1
155.08588	1.9
156.09412	2.4
157.10094	7.2
159.11746	4.9
161.09637	2.9
161.13309	2.1
163.11192	29.4
165.12686	3.0
169.10162	3.2
171.11719	2.8
173.13281	5.3
175.14865	5.4
181.12260	53.5
181.13876	2.9
183.11717	3.5
185.13248	2.5
187.14815	5.8
193.12280	2.1
195.09975	4.3
195.11656	3.0
197.13220	3.3
199.14764	1.4
205.16013	2.1
207.11879	2.7
207.13863	4.5
209.13290	1.9
211.13232	1.7
211.15083	1.6
213.12756	1.6
219.11475	1.3
221.09296	1.6
221.13264	1.8
221.15320	3.3
223.14812	1.6
239.17976	1.7
241.19498	2.6
251.12532	2.0
251.16405	3.2
259.17172	1.8
265.19305	1.5
267.15994	3.8
268.16330	3.2
271.16949	1.4
287.19940	1.8
301.21762	1.4
313.27643	1.6
337.27304	3.6
338.27661	4.0
462.30573	1.3
500.99881	1.3
507.36658	100.0
508.36981	1.5
525.37433	2.9
530.39136	4.2
548.40375	1.4
565.40521	8.3
596.59332	2.4
597.37708	10.5
597.42706	23.6
597.60077	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	598.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
56.96574	3.4
57.03423	2.9
60.04519	4.5
61.02919	2.1
63.72184	1.3
67.96372	1.3
69.03427	6.2
70.06586	5.1
70.66904	2.0
70.67265	2.9
71.05003	2.0
78.04723	1.5
79.05504	5.1
81.03422	16.5
81.07043	1.4
85.02917	15.1
87.04454	1.7
91.05477	3.8
93.07051	1.6
93.72614	1.4
93.93128	1.3
95.04980	2.5
95.08608	1.7
97.02883	8.2
98.97598	4.9
99.04459	3.1
103.05470	4.1
105.07031	2.0
107.04968	10.3
109.02889	2.6
110.97589	2.0
112.99129	1.7
115.05456	7.3
116.98592	2.6
117.03366	1.6
117.07050	15.8
119.01826	1.6
119.04916	1.9
121.02902	1.5
123.04438	2.4
124.05192	3.1
125.05975	1.5
127.03909	6.5
128.06140	2.4
128.98611	2.1
129.06999	3.4
131.00169	1.8
131.04939	1.8
131.08549	5.0
132.05690	1.7
133.06464	2.1
137.05946	2.0
141.06944	1.6
144.05679	3.8
145.02858	1.8
145.04958	5.3
145.06488	35.5
147.04442	2.8
153.05568	1.4
155.06027	5.1
155.07121	2.1
156.05666	8.9
157.06447	2.0
159.08058	5.5
161.05989	4.9
163.03897	1.9
167.07060	45.2
173.06000	58.2
174.06435	1.6
177.05518	4.0
180.08655	4.3
187.07529	9.3
190.04651	1.9
190.06273	31.1
190.07973	2.0
191.07031	3.2
193.08665	3.1
202.06238	5.1
203.07071	5.0
205.08617	100.0
208.05392	1.4
217.06555	2.2
217.08611	37.9
219.01755	4.2
219.10164	5.0
223.09607	2.8
235.09644	29.3
237.02814	5.6
245.09579	1.6
247.09645	7.4
262.09988	1.6
263.10751	1.9
264.07639	2.3
264.20947	1.5
265.10773	30.3
301.06760	1.6
302.07489	4.0
304.07803	2.2
305.07910	1.9
308.07291	5.8
315.08636	5.4
319.09955	1.5
330.11130	6.6
331.11700	3.0
332.27762	1.4
336.09827	1.4
337.10764	1.8
350.28830	2.6
351.12289	5.4
371.14963	3.7
371.76721	1.4
383.14944	10.5
401.16101	9.7
517.15094	1.5
598.25879	5.3
598.34253	2.7
599.17590	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	598.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01868	3.0
55.05515	3.0
56.73601	1.5
57.03429	4.9
59.90765	1.6
61.02923	2.7
65.03932	2.8
67.05486	4.8
68.99793	1.6
69.03432	19.4
69.07070	4.4
70.06588	7.0
71.04978	3.8
71.54440	2.7
72.08141	3.0
73.02916	1.7
79.05490	14.0
81.03426	15.2
81.07069	10.4
83.04971	2.2
84.08150	1.8
85.02433	3.1
85.02910	49.4
86.09738	1.8
87.00841	15.5
91.03979	1.5
91.05485	24.3
93.07046	80.8
95.04967	5.5
95.08613	15.5
97.02895	23.8
97.06497	4.4
99.04461	7.1
105.01878	28.7
105.04465	1.7
105.07000	7.7
107.08600	100.0
109.02884	14.6
109.06524	3.7
109.10141	3.1
110.07136	1.8
115.05450	1.6
115.43345	1.7
119.08626	3.7
121.02876	2.4
123.04403	4.0
127.03924	29.1
131.08617	1.9
133.06480	1.6
133.10107	2.5
135.08069	1.9
135.11696	76.8
137.13264	1.7
145.04973	17.9
147.04405	2.8
147.11694	1.9
151.07510	1.8
153.12782	11.9
159.02895	5.0
159.11517	2.0
167.07068	2.5
169.13429	1.6
177.05486	3.2
181.04965	3.3
189.59013	1.6
197.12978	1.7
205.08679	2.5
209.08049	2.0
213.03934	1.8
231.04958	9.2
243.13701	1.6
249.06046	6.3
261.14929	1.9
270.72876	1.6
276.49756	1.4
333.92722	1.9
597.47302	2.5
601.21503	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	598.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01871	6.8
55.05518	23.9
57.03437	3.4
57.07081	16.1
65.03942	3.4
67.05172	5.5
67.05515	84.9
69.03433	4.1
69.07079	27.8
71.04984	4.1
71.08637	6.4
71.55581	4.1
74.02950	3.1
79.05506	30.5
81.03418	6.7
81.07069	100.0
83.08633	21.4
84.04506	11.2
88.53647	2.9
91.05492	27.1
92.05848	3.9
93.07053	40.7
95.04989	7.4
95.08618	80.4
97.02887	6.3
97.06551	10.1
97.10172	12.7
99.04465	6.9
99.08088	5.4
105.07030	21.9
106.18774	2.7
107.08604	24.2
109.02880	9.1
109.06493	3.8
109.10172	43.8
110.03717	4.1
111.11720	5.3
113.11839	2.9
117.07027	4.4
119.08596	22.6
121.10162	33.7
123.08105	4.4
123.11692	19.5
127.03932	10.0
127.11271	3.9
128.06206	2.7
131.08592	6.0
133.10143	20.5
135.11734	21.8
137.13278	8.3
141.44598	3.1
143.08554	4.4
143.29530	2.8
145.10112	5.2
147.11684	13.4
149.05968	3.0
149.13266	16.9
151.14830	7.0
155.14336	4.7
157.10130	6.5
159.11687	7.6
161.13312	16.4
163.14844	11.4
165.16432	11.6
167.10738	3.5
169.10226	3.4
171.11647	3.1
173.13335	4.2
175.14830	13.1
179.08524	3.6
179.17928	5.0
181.10277	3.5
189.16449	6.0
209.13452	2.9
221.15433	4.8
245.22690	63.0
259.15289	4.9
263.23740	92.0
281.24908	5.4
283.05560	3.2
337.27423	45.8
341.10300	3.7
355.28796	3.4
548.11469	3.0
563.28339	5.6
576.66235	3.3
580.41138	3.7
598.37683	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	598.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01882	9.0
55.04129	3.4
55.05516	48.0
57.03434	16.8
57.07069	13.2
59.04995	6.2
62.26737	3.4
65.03952	5.8
67.05179	6.5
67.05514	100.0
69.07079	32.4
71.01366	6.1
71.08626	7.3
71.53616	3.4
71.55259	4.8
78.14641	3.6
79.05126	4.5
79.05507	46.9
81.03429	24.2
81.07068	88.0
82.07363	3.8
83.04993	22.7
83.08611	18.3
85.06552	7.7
89.06030	15.3
91.05486	39.8
92.05807	4.2
93.07050	53.1
95.04987	16.2
95.08612	66.1
97.02873	7.7
97.06521	11.8
97.10161	22.1
105.04520	4.7
105.07044	35.9
107.04974	11.0
107.08597	38.8
109.06523	8.4
109.10173	26.1
110.26734	3.5
111.04401	4.5
111.08089	7.2
111.11745	4.8
117.07004	8.0
119.08594	40.3
121.10182	33.3
123.08096	6.6
123.11683	9.5
125.06022	11.3
125.09650	18.1
129.07001	6.4
131.08572	15.9
133.08594	12.1
133.10153	18.2
135.08066	6.1
135.11662	23.7
137.09544	4.3
142.07787	6.1
143.08586	9.6
145.10124	27.6
147.11674	12.9
149.09644	8.6
149.13165	4.7
151.11151	6.5
153.12750	14.8
156.09402	7.2
156.47701	3.9
157.10144	15.9
159.11697	7.1
161.09561	6.0
163.11177	36.2
164.11482	5.2
165.09140	4.7
165.12766	3.7
167.10701	19.1
169.10100	5.4
173.09671	8.0
173.13289	5.1
175.11179	4.0
175.14914	6.5
181.12248	37.8
182.12540	5.0
183.11774	4.2
185.13290	7.8
189.23795	4.8
191.10663	6.3
195.11745	5.5
197.13223	8.4
199.13248	7.4
207.11697	5.9
209.13390	4.4
219.12007	4.2
221.13260	3.9
221.15370	8.9
222.15654	4.0
227.12758	14.8
233.15317	5.1
235.16649	3.9
267.16049	6.8
268.16101	4.7
283.15396	8.0
313.43713	4.4
337.27448	42.0
338.31412	4.2
426.21490	5.1
465.60461	4.2
494.71472	4.7
506.56436	4.2
508.36707	12.5
517.28296	4.2
518.33923	12.2
598.38898	12.7
598.42194	12.5
598.62341	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	598.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.8
55.05500	24.0
57.03429	20.4
57.07070	6.3
58.89759	6.1
62.98970	5.8
67.05509	82.0
69.03455	5.6
69.07073	23.5
71.04983	5.8
71.30121	11.6
79.05500	54.2
81.03423	97.6
81.07063	76.2
83.08617	24.7
89.87055	5.5
91.05494	44.7
93.07053	65.6
95.04955	27.2
95.08602	60.1
97.06516	10.1
105.07026	34.0
107.08587	40.6
109.06537	9.5
109.10159	20.6
111.08092	11.3
117.07006	18.0
119.08604	38.8
121.10172	36.0
123.11721	7.7
129.07008	17.4
131.08566	26.8
133.10121	28.3
135.11699	19.3
137.09558	6.5
143.08574	10.7
145.10143	16.4
147.11694	15.1
157.10162	11.2
159.11688	10.6
163.03728	8.1
169.10193	6.4
171.11717	6.7
173.13206	15.5
175.11278	10.5
193.12231	24.8
197.65007	6.3
221.15375	8.9
261.22244	16.1
267.15955	100.0
335.25827	98.9
425.48819	7.3
435.32645	9.5
453.33432	10.6
527.37360	53.9
545.38458	21.8
598.39783	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	599.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24282	0.3
53.03944	0.3
54.31112	0.3
55.01877	0.4
56.96563	0.5
57.03437	0.3
67.05518	1.8
68.99792	0.7
69.03454	0.3
69.07056	0.3
70.06578	0.9
71.55202	0.5
79.05487	0.6
81.03391	0.6
81.07048	0.8
85.00639	0.3
85.02912	0.5
91.05503	0.7
93.07034	0.7
95.04949	0.7
95.08624	0.6
95.56143	0.3
97.02867	0.6
97.06550	0.9
98.97621	0.6
99.04482	0.3
102.92653	0.3
105.07002	0.4
107.05014	0.3
107.08566	0.5
115.05487	0.3
117.03407	0.4
123.04443	0.7
124.07726	0.3
127.03918	0.3
135.04451	0.7
139.03879	0.8
141.05453	0.3
141.06918	0.3
145.02881	0.6
145.06575	0.4
147.04436	0.5
151.03964	0.8
152.01045	1.0
153.01814	0.9
153.05470	2.6
155.08568	0.6
160.05318	0.4
160.93214	0.3
161.06026	0.7
163.03929	1.2
166.26006	0.3
167.03419	49.6
168.77061	0.3
169.04805	0.3
169.06602	0.3
170.02190	0.4
173.05986	3.2
174.03706	0.3
174.06779	0.4
177.05547	0.3
179.03413	4.0
180.04187	5.0
181.06447	0.4
181.08638	0.4
183.02821	0.6
187.03938	0.5
189.05511	0.4
197.05946	0.4
199.03935	1.3
200.04674	0.8
201.05424	0.5
209.13092	0.3
213.05467	0.5
215.06952	0.5
221.11739	0.6
229.04982	0.7
237.05435	0.4
239.06958	0.4
250.06360	0.4
255.06766	0.4
257.04578	0.7
259.09589	0.9
260.92792	0.3
272.06808	1.9
275.07224	0.3
291.06381	0.7
293.08118	0.7
295.06042	0.4
297.04449	0.5
297.07654	0.6
299.05521	0.4
300.06293	6.3
301.06888	0.4
307.06458	0.6
308.06747	0.4
309.07684	1.0
310.04721	7.5
311.05524	0.8
311.09198	1.1
312.06363	1.4
313.07126	0.8
320.06979	0.5
321.07620	1.3
322.04590	0.6
322.08209	0.4
323.05536	1.8
323.08896	0.5
324.06262	2.0
325.07083	19.9
326.04254	0.4
335.05594	0.5
337.06976	2.1
339.08676	3.5
340.09512	0.4
341.06778	0.7
349.07034	1.1
351.08539	0.5
353.10446	0.6
363.08530	0.5
367.08154	3.7
368.08972	1.2
393.13348	1.5
409.16525	5.0
419.14844	1.1
437.16010	100.0
438.16452	1.2
575.52344	0.4
599.11652	0.4
599.20270	0.6
599.28192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2505
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
52.35902	0.7
53.03951	1.4
54.24582	0.7
55.05515	3.9
57.07075	3.0
59.05000	0.9
61.47009	0.8
67.05511	5.3
69.03425	1.3
69.07067	2.9
70.59183	2.3
71.08624	1.1
79.05492	3.9
81.07066	7.3
83.04993	1.2
83.08618	0.9
85.06555	1.6
89.06036	3.5
91.05484	6.3
93.07067	6.8
94.78358	0.8
95.04971	1.9
95.08605	5.7
97.06510	0.9
105.07052	9.1
107.04929	0.8
107.08630	4.8
107.45144	0.9
109.06546	1.8
109.10149	2.4
111.04564	0.7
112.10902	0.9
117.07012	2.0
119.08593	8.6
121.06522	1.8
121.10172	7.4
123.08097	3.0
123.11723	1.2
125.06051	1.0
129.07013	1.1
131.08578	3.9
133.08612	2.4
133.10129	5.1
135.08093	2.7
135.11716	3.0
137.09651	3.0
142.07793	1.4
143.08611	2.5
144.09273	0.9
145.10135	5.8
147.08083	3.3
147.11769	2.1
149.09700	1.3
151.07610	1.5
155.08601	1.6
156.09402	1.1
157.10127	4.9
159.08133	1.0
159.11723	1.6
161.09608	1.3
161.13220	1.0
163.11160	3.8
165.09111	6.6
167.08626	1.2
167.10695	2.8
169.10123	2.2
171.11702	3.0
173.09653	1.6
175.14839	1.4
181.10135	1.1
181.12268	2.7
183.11687	2.8
185.13324	1.1
187.11198	1.1
191.10742	1.5
195.11777	0.9
197.13266	1.8
198.13882	0.8
199.14899	1.1
203.14345	3.4
207.13911	1.4
209.13348	1.4
211.14822	1.5
213.12791	1.3
221.10844	1.3
221.13339	1.8
221.15381	15.2
222.11589	1.2
223.12480	1.2
223.14769	1.7
233.15392	1.2
235.12427	1.7
236.13219	1.3
237.13947	2.8
238.14713	1.2
247.17056	2.7
249.10193	1.0
249.13974	2.0
251.11841	2.4
251.15599	1.7
261.13812	1.0
264.12604	1.5
265.13391	1.2
276.15082	1.2
278.94543	0.8
279.14951	2.1
287.20242	1.1
299.14410	1.1
299.20282	1.3
312.15152	1.0
313.21609	0.9
314.16516	2.1
325.14709	1.1
326.16650	1.1
328.18024	0.9
330.19733	1.8
338.15582	1.2
339.15967	4.0
340.17252	2.4
350.15945	1.2
351.16357	1.9
352.17886	2.8
353.17596	6.5
354.18570	6.8
355.19504	1.1
358.19058	2.3
361.15393	1.1
362.15573	0.9
363.16202	2.4
364.17209	2.0
365.17892	3.6
365.24631	1.2
366.18768	1.4
367.19550	2.0
368.20358	1.9
369.20779	17.8
375.16388	1.1
377.17868	1.4
379.19250	10.1
380.15979	1.1
381.16895	1.8
381.21222	1.3
382.18118	1.5
391.19601	1.6
391.26245	1.3
393.21072	1.3
395.18451	1.7
396.19617	1.0
397.20227	9.8
405.21164	1.3
406.20520	0.9
407.18808	1.6
408.19833	0.9
409.20364	2.8
419.19000	1.4
423.21857	3.4
424.22894	1.1
425.19781	26.4
426.21216	1.8
427.21707	1.2
427.28442	1.0
437.20038	3.8
439.21329	1.7
440.22836	1.6
441.22906	2.7
444.22922	1.9
450.18265	0.8
451.21460	14.9
452.22321	4.2
453.19333	2.7
455.24573	3.3
456.25623	5.4
461.19888	1.9
462.20432	4.0
465.23788	1.6
466.20227	1.3
467.24878	3.8
468.21576	2.5
469.22321	2.0
476.18759	1.3
479.20844	0.9
483.24298	3.7
484.24847	6.4
489.19107	1.1
493.22684	1.1
495.24292	2.2
497.21854	3.2
507.34583	1.5
511.23572	6.7
512.24261	53.9
513.25177	1.2
519.34357	2.3
521.21802	5.4
539.22943	59.6
540.23450	3.0
555.26160	1.9
567.22375	1.5
571.25909	0.9
581.24469	1.6
581.39722	1.4
582.22437	3.2
598.61407	1.3
599.25092	100.0
599.39545	10.9
600.25214	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	599.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64678	0.8
55.01881	0.9
55.05507	2.7
56.05035	1.4
56.96571	1.6
57.03447	1.4
59.05019	1.1
62.21065	0.8
65.03967	0.9
67.05502	5.5
69.03428	1.7
69.07076	1.5
71.04995	2.6
79.05502	4.7
79.65569	0.7
81.03423	3.8
81.07044	5.7
83.04994	1.8
83.08633	2.2
84.04510	8.4
85.02937	1.1
88.04018	0.7
91.05484	4.1
93.07066	3.1
95.04956	2.3
95.08614	3.1
96.08158	1.3
97.02912	1.0
97.06525	5.6
97.73927	0.8
98.09655	0.8
99.04484	0.9
102.05542	2.7
105.07050	3.1
107.08620	2.2
109.10174	2.4
114.09184	3.3
117.03416	1.0
117.06995	1.0
119.08583	2.7
121.10187	3.5
123.04439	1.0
123.08064	0.9
125.09666	1.3
129.07050	1.2
130.05028	10.2
131.08588	1.9
133.02827	0.9
133.10149	2.5
135.11751	0.9
145.10211	1.0
147.04424	1.9
147.11752	1.3
149.09584	1.2
157.10101	1.5
158.21484	0.8
159.11702	1.5
160.09688	4.1
163.03943	1.9
169.06136	0.7
173.02386	1.7
173.11792	1.0
179.03439	9.5
185.01134	0.9
187.01237	0.9
193.12329	1.5
196.00055	0.9
215.07112	2.4
223.06383	0.8
229.07579	2.9
241.07532	0.9
247.08611	1.8
258.17178	1.0
259.09750	3.8
259.20517	1.0
267.09137	1.4
283.15201	16.3
285.10199	1.1
293.57462	0.9
320.13907	1.9
323.15298	0.8
337.01300	0.8
339.17807	9.3
467.00897	0.9
483.27298	1.3
495.25650	1.2
501.28253	1.4
599.34106	100.0
600.34430	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	599.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
54.01810	1.5
55.01868	2.0
55.05514	13.9
57.07064	6.8
57.80749	1.8
58.11991	1.6
59.05002	2.3
65.03929	4.3
67.05508	26.2
69.03443	11.2
69.07069	17.0
69.72764	1.7
70.09011	3.2
70.09389	4.4
79.05492	19.4
79.31758	1.7
81.03413	3.2
81.07059	29.0
83.04977	7.2
83.08610	7.9
85.06548	2.2
86.29311	1.6
91.05488	33.3
91.06025	3.7
93.07050	53.7
95.04968	14.6
95.08613	28.4
97.06525	7.8
97.10167	2.4
98.20857	2.7
105.04454	1.7
105.07039	57.6
107.04993	3.4
107.08596	33.6
109.06540	8.5
109.10169	16.8
111.08080	4.7
111.11722	4.2
113.09632	2.0
115.05449	3.7
117.07013	11.7
119.08591	51.6
121.06501	9.7
121.10150	59.3
123.08080	19.2
123.11725	8.5
125.06011	3.0
125.09652	4.4
125.99731	2.1
128.06239	6.7
129.07028	9.2
130.07794	3.0
131.08568	21.7
133.06444	3.4
133.10143	34.1
135.08061	9.1
135.11713	10.6
137.09625	9.1
139.11203	6.5
141.07007	4.8
142.07796	13.0
143.08571	21.6
144.09329	4.6
145.06462	3.2
145.10127	35.0
147.08060	14.7
147.11707	7.9
149.09631	20.0
149.13245	2.2
151.07570	23.4
153.06985	2.0
155.08580	10.1
155.10666	2.5
156.09338	11.6
157.10141	32.0
158.10933	5.0
159.08046	12.7
159.11726	18.2
161.09610	8.3
161.13266	6.2
163.11218	7.8
165.06995	3.6
165.09157	17.7
167.08505	4.3
167.10689	83.1
169.10132	15.3
170.10902	4.4
171.11754	14.2
173.09689	6.3
173.13301	12.4
175.11230	4.4
175.14871	7.0
177.09142	3.1
179.08624	7.0
180.09259	3.4
181.10118	9.4
181.12234	9.7
182.10921	4.8
183.11722	14.3
185.09628	4.2
185.13278	10.0
187.11223	4.9
187.14865	7.5
189.12788	9.9
191.08698	2.1
191.14304	5.4
192.09352	2.1
193.10159	8.1
194.10945	3.2
195.11728	13.6
196.12518	4.8
197.09525	2.3
197.13295	13.0
199.11189	6.9
199.14919	4.2
201.12804	2.5
201.16489	2.6
203.14372	9.2
205.15965	2.1
206.10994	4.2
207.11688	9.2
207.13811	8.0
208.12444	2.8
209.13327	12.3
209.15382	4.1
211.11122	3.4
211.14795	9.7
213.12773	3.7
213.16458	2.7
215.14372	7.9
217.10226	2.9
217.15782	2.4
219.11777	3.1
220.12628	2.6
221.09702	2.5
221.13269	10.4
221.15425	41.5
222.14096	2.3
223.14795	5.2
225.12796	4.2
225.16461	3.4
227.14287	2.9
229.15924	2.9
231.11723	2.6
231.13885	2.1
233.13222	5.4
233.15369	36.8
235.14827	4.7
235.17001	2.2
237.12874	2.4
237.16460	4.8
239.17972	4.1
241.15897	2.3
246.14211	3.1
247.14879	4.3
249.16357	3.9
250.17372	1.9
251.14532	2.0
251.17969	2.5
253.16039	1.9
259.14673	2.4
261.16553	2.6
263.17773	2.4
265.19406	1.9
271.14709	2.2
273.16287	3.3
273.18875	2.8
275.18008	2.5
279.17471	2.4
281.19183	3.4
285.18634	3.3
286.19290	2.0
287.20197	3.6
299.20258	8.8
311.20090	5.0
313.21802	2.4
349.25455	2.8
359.23627	2.4
365.24957	3.2
373.25055	3.2
377.24911	4.7
391.26309	6.7
393.24310	2.6
507.34702	2.8
523.35663	2.0
563.39227	1.9
571.41467	2.5
581.40002	22.5
599.40991	100.0
600.41760	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	599.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
54.08128	0.8
55.01882	0.8
55.05518	4.8
57.07089	5.8
57.45162	0.8
59.05003	2.3
60.66761	0.8
65.03955	1.0
67.05511	11.2
69.03434	7.2
69.07057	4.6
71.05009	1.1
71.24876	2.0
77.03943	1.0
79.05505	9.6
81.03433	1.5
81.07060	14.1
83.04990	3.5
83.08632	2.9
84.91566	0.8
85.06560	2.9
91.05489	19.2
93.07055	27.0
95.04992	6.1
95.08611	16.0
97.06541	5.4
103.05463	1.4
105.04564	1.4
105.07041	28.7
107.05025	1.4
107.08607	15.4
109.06516	8.1
109.10169	6.3
111.04504	1.0
111.08105	1.9
114.45558	0.8
115.05441	1.6
117.07018	7.9
119.05009	1.0
119.08595	29.9
121.06490	5.4
121.10146	19.1
123.08095	12.5
123.11813	1.0
125.06038	3.3
128.06273	3.0
129.07018	4.1
130.07808	2.4
131.08586	12.4
133.06555	1.6
133.10144	12.2
135.08072	9.7
135.11699	5.4
137.06021	1.2
137.09641	12.7
139.07550	1.9
139.11223	1.1
141.07022	3.5
142.07814	7.2
143.08563	10.7
144.09384	3.1
145.10144	18.2
147.08051	23.8
147.11734	3.9
149.09633	6.5
151.07570	11.0
153.07079	1.2
154.07788	1.3
155.08575	6.7
155.10674	1.0
156.09372	6.3
157.10146	18.6
158.10930	1.4
159.06981	0.9
159.08034	4.8
159.11693	8.5
161.09653	6.0
161.13246	6.2
163.11209	9.3
165.06960	2.0
165.09134	52.0
167.08575	1.9
167.10686	11.8
168.09354	3.4
169.10159	8.9
170.10970	3.2
171.11707	13.1
172.12402	1.0
173.09673	5.6
173.13275	4.3
175.11237	3.6
175.14870	2.1
177.09137	2.6
177.12799	1.5
179.08650	2.8
179.10764	1.2
180.09406	1.3
181.10170	4.9
181.12209	6.7
182.10954	2.9
183.11696	11.1
185.09712	2.4
185.13300	6.6
187.11234	3.4
187.14867	2.5
189.12717	5.4
191.10715	4.6
191.14294	1.2
193.10168	2.4
194.10933	2.0
195.11769	5.6
195.13727	2.1
196.12524	1.9
197.13292	5.8
199.11261	3.3
199.14909	1.8
201.12852	2.6
202.13536	1.1
203.14340	17.2
205.10240	1.4
207.11775	3.8
207.13861	5.9
209.13335	5.0
209.15311	1.6
210.14011	1.2
211.11290	2.6
211.14839	5.3
213.12813	3.1
213.16389	1.0
215.14342	2.4
219.11861	1.4
220.12627	1.2
221.15382	100.0
223.14838	2.2
225.12677	1.6
227.14388	1.5
229.16023	2.2
231.13899	1.3
232.12611	1.1
233.13248	1.9
233.15459	6.8
235.14848	1.7
237.12860	1.5
237.16446	1.5
239.17937	1.7
243.13924	1.1
245.13359	1.3
247.14880	0.9
247.16998	15.3
249.16469	1.5
251.18088	1.5
253.16005	1.3
255.17476	0.9
261.16394	2.0
263.18295	1.3
269.19156	1.3
271.17038	1.3
273.18576	1.7
275.17929	1.5
281.19116	2.8
286.19510	1.5
287.20233	5.9
293.19208	1.6
299.20181	5.8
301.21741	2.7
311.20313	3.1
313.21774	1.3
325.21750	2.5
327.23294	1.4
365.24902	4.6
373.25531	1.3
377.25131	1.0
391.26385	9.7
394.33517	1.0
413.26965	1.4
419.29489	3.2
427.28448	7.4
446.67728	1.0
453.30063	1.2
507.34610	8.6
519.35022	2.7
539.92047	0.9
543.34583	1.4
581.39703	4.2
599.41028	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29574	3.0
52.41895	3.3
53.03947	3.4
54.10407	3.1
55.01873	6.3
55.05516	13.8
56.37624	2.9
57.07085	19.2
59.05003	7.3
61.19300	3.6
65.03918	4.3
66.32087	3.1
67.05503	29.6
69.03432	18.4
69.07059	11.1
70.75100	8.3
71.04996	3.6
71.08632	3.2
73.45741	3.4
79.05494	29.3
81.03420	3.7
81.07069	36.2
82.07379	3.5
83.04985	7.6
83.08620	15.3
85.06554	7.0
89.06031	14.9
91.05489	43.8
92.05821	5.1
93.07053	55.6
94.07368	5.2
95.04971	20.4
95.08617	36.4
96.08917	4.0
97.06528	20.5
97.10176	4.8
103.05458	4.9
105.06389	5.9
105.07039	74.0
105.07684	6.1
106.07335	4.1
107.08607	42.3
108.08907	3.1
109.06528	14.1
109.10172	26.7
110.10458	4.7
111.08088	10.0
113.09646	8.3
115.05450	5.3
117.07043	19.6
119.07803	5.5
119.08596	74.7
120.08909	7.3
121.06494	14.2
121.10161	42.5
123.08083	22.0
125.06002	6.9
125.09622	4.7
128.06238	7.1
129.07059	17.9
130.07808	8.0
131.08575	39.6
133.08655	8.1
133.10155	39.7
134.10493	5.5
135.08070	24.7
135.11723	19.1
137.09680	16.9
139.11174	10.3
141.06972	7.4
142.07796	13.8
143.08597	36.3
144.09311	12.7
145.06494	17.3
145.10146	59.9
146.10506	7.5
147.08047	33.4
147.11707	13.8
149.09651	12.5
151.07545	15.3
151.11134	4.2
153.12784	5.8
155.08568	13.8
155.10683	10.3
156.09425	15.8
157.10152	46.6
158.10847	7.8
159.08057	20.6
159.11723	34.0
160.08868	46.5
160.12061	5.3
161.09631	12.1
161.13249	7.9
163.11224	17.4
165.06970	5.0
165.09138	45.4
167.08636	7.3
167.10793	4.2
168.09386	4.1
169.10110	23.3
170.10771	7.1
171.11710	41.4
172.12427	6.3
172.29492	3.6
173.09601	13.5
173.13258	14.0
174.13623	5.4
175.11169	15.6
175.14784	5.5
177.09181	4.3
177.11272	6.4
177.12744	4.8
179.08632	6.2
179.10440	4.2
179.14259	6.5
181.10101	13.2
181.12196	25.5
182.10895	8.1
183.11691	23.2
184.12256	6.9
185.09653	6.4
185.13252	16.5
187.11180	5.4
187.14833	9.2
189.12706	8.9
190.13570	8.4
191.14301	6.8
192.14568	3.7
193.10123	11.9
193.12239	8.1
194.10934	9.7
195.11726	20.1
196.12325	6.0
197.13225	20.6
198.13828	4.6
199.11267	6.8
199.14839	7.9
200.11848	3.6
201.12682	9.2
203.14343	20.0
206.11015	4.3
207.11745	13.6
207.13824	14.4
208.14581	9.1
209.13263	13.0
209.15204	3.5
210.14122	4.4
211.14850	11.7
213.12732	10.9
215.14360	8.0
219.11684	4.6
219.13831	10.1
221.13394	8.1
221.15367	100.0
222.15681	20.2
223.11047	4.8
223.14806	10.9
224.15581	5.0
225.12849	6.2
225.16464	4.9
227.14275	4.8
233.13365	6.3
233.15417	5.1
234.16124	19.7
235.14882	5.2
237.12880	5.1
237.16359	4.6
239.14445	4.2
239.17851	4.4
247.16953	27.1
248.17462	5.0
251.14149	3.6
251.18033	4.6
253.15826	4.0
259.17050	4.1
269.15512	3.8
271.16971	5.0
274.19379	7.4
281.19254	6.4
283.26462	3.9
285.18347	6.3
286.19250	19.2
287.19995	12.7
299.20093	15.6
300.20700	8.7
309.22122	3.7
311.19998	7.0
312.20865	13.8
313.21640	8.2
325.21661	12.4
337.21634	6.1
340.23779	5.2
352.23929	42.8
353.24762	3.6
365.24860	7.3
377.24808	4.9
392.26791	6.6
419.29266	6.8
420.30295	4.0
426.27960	3.9
427.28387	9.4
440.29419	34.8
475.34396	3.6
507.34613	7.2
508.35498	5.9
520.35541	33.9
582.40387	7.7
600.41541	51.7
600.55847	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18779	3.6
53.03948	10.6
55.05522	18.8
57.07069	17.0
59.05005	6.1
65.03947	4.3
65.08018	3.3
65.22023	3.9
67.05509	27.8
69.03432	18.9
69.07067	15.4
70.94277	5.7
70.94615	5.6
71.04996	4.9
79.05495	32.9
81.07065	47.2
83.04985	15.6
83.08624	9.0
85.06557	7.3
89.06008	8.0
91.05493	50.3
93.07057	75.1
95.04974	22.5
95.08614	49.0
97.06512	14.9
105.07040	100.0
107.04966	8.2
107.08604	62.5
109.06544	22.6
109.10163	24.4
111.08091	8.6
115.05418	6.0
117.07033	23.7
119.08594	80.4
120.58633	4.2
121.06507	17.6
121.10159	54.1
123.08087	29.5
125.06013	8.2
125.09673	6.3
128.06242	19.3
129.07042	21.5
130.07809	14.3
131.08595	44.1
131.36279	4.2
133.06496	10.3
133.08569	6.8
133.10146	55.3
135.08072	31.0
135.11691	16.5
137.09654	20.7
139.07539	7.9
141.07005	11.0
142.07796	29.2
143.08577	56.1
144.09314	14.9
145.10136	83.3
147.08069	33.9
147.11699	17.6
149.09631	20.5
151.07587	20.4
151.11201	5.0
155.08565	21.2
156.09290	20.2
157.10146	82.9
158.10889	11.3
159.08040	17.1
159.11702	36.7
160.08823	4.7
161.09633	29.3
161.13258	10.1
163.11195	15.9
165.07016	9.9
165.09152	47.0
166.07755	3.8
166.09344	3.7
167.08588	11.7
167.10704	15.1
168.09372	6.6
169.10143	33.5
170.10866	13.3
171.11705	47.4
172.12384	8.6
173.09648	13.3
173.13277	18.1
175.11189	29.0
175.14847	6.9
176.11937	4.6
177.09190	6.2
179.08543	9.4
179.10738	7.7
180.09393	6.9
181.10150	18.0
181.12227	21.3
182.10941	16.5
183.11722	31.1
184.12436	5.6
185.09552	5.5
185.13229	25.3
186.10364	5.3
187.11189	8.2
187.14888	9.1
189.12773	15.3
190.13550	9.4
191.10696	5.4
191.14465	4.9
192.09331	5.8
193.10159	20.8
193.12161	11.4
194.10898	13.3
195.11717	33.1
195.13316	5.3
196.12483	9.8
197.09613	6.0
197.11771	5.9
197.13300	33.0
198.10437	5.1
198.14029	5.0
199.11232	7.8
199.14784	9.1
201.12715	10.4
203.14352	22.4
205.10181	4.9
206.10910	9.2
207.11723	22.5
207.13837	21.8
208.12537	8.0
208.14494	6.4
209.13293	26.7
209.15036	5.6
210.14041	6.4
211.11186	8.6
211.14799	14.6
213.12750	9.6
213.16406	6.1
215.14380	7.7
217.10161	5.5
219.11858	5.4
219.13817	5.4
220.12260	4.8
221.13289	18.2
221.15358	95.8
223.14822	12.5
225.12732	8.0
225.16367	9.3
227.14420	5.5
229.15846	5.8
231.11798	5.5
232.12337	5.0
233.13419	7.9
233.15434	18.1
234.13980	5.2
234.16208	11.5
235.11176	4.4
235.14886	15.3
235.16934	4.8
237.14670	27.9
241.15837	4.4
245.13286	6.3
247.14804	8.2
247.16975	9.8
249.16367	8.6
253.15829	8.2
255.17419	28.3
261.16327	6.1
269.19083	7.2
270.19812	8.8
271.17059	7.7
273.18616	9.0
274.19330	13.4
279.17477	7.5
285.18781	7.1
286.19290	13.9
287.20145	10.7
295.20477	7.1
297.18665	7.2
299.20056	10.2
303.19650	32.3
307.20786	7.1
311.19986	6.6
312.20871	6.6
313.21643	17.9
325.21725	37.5
337.21664	6.2
347.23672	5.5
352.24011	54.1
365.24829	39.9
374.26254	5.3
383.25949	7.2
502.34308	5.5
503.35480	5.2
507.34726	28.9
508.35162	4.4
520.35559	31.1
564.53082	5.2
567.38824	6.6
600.41943	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05499	6.4
55.70506	1.8
57.07070	9.0
59.04988	3.2
63.56497	1.8
67.05511	11.8
69.03421	7.9
69.07053	6.8
75.70623	1.4
79.05482	9.7
81.07055	17.3
83.04957	4.8
84.66853	1.7
85.06536	3.6
85.94848	1.7
85.95503	1.7
89.06013	2.6
91.05495	23.3
92.06277	2.9
93.07041	29.6
95.04978	9.5
95.08612	17.9
97.06512	4.6
103.05479	2.0
105.07034	36.9
106.07893	1.9
107.04943	2.3
107.08606	19.7
109.06496	8.2
109.10138	6.2
111.08113	2.5
115.05418	2.2
117.07037	12.4
119.07800	3.4
119.08588	48.7
119.09447	2.4
120.08832	4.1
121.06487	7.6
121.10159	19.0
122.07276	2.2
123.08052	16.1
125.05968	7.8
128.06215	6.3
129.07024	11.3
130.07762	2.6
131.08582	20.9
132.63322	1.8
133.06500	4.5
133.10152	18.4
135.08078	15.3
135.11673	5.4
137.05956	4.2
137.09604	14.7
141.06949	3.0
142.07770	7.9
143.08580	20.7
144.09247	6.6
145.10135	31.2
147.06937	2.2
147.08055	27.7
147.11671	5.7
149.09578	7.0
151.07544	10.1
153.07021	2.2
154.07791	2.0
155.08549	11.9
156.09384	8.3
157.10144	26.7
158.10783	6.6
159.08046	5.2
159.11714	21.2
161.09628	12.2
161.13246	5.4
162.10014	2.0
163.11191	16.5
165.06985	2.8
165.09111	48.4
166.09425	7.3
167.08502	3.4
169.04950	1.7
169.10139	12.8
170.10837	3.5
171.11694	16.7
172.08780	2.1
172.12265	2.4
173.09615	9.6
173.13252	5.8
175.11217	15.0
175.14780	2.6
177.09023	3.1
177.12672	1.8
179.10709	2.4
180.09308	2.3
180.11461	3.7
181.10091	7.0
181.12215	13.5
182.10866	5.5
183.11731	13.6
184.12323	3.0
185.09680	2.7
185.13257	11.4
186.13887	2.1
187.11153	4.7
187.14799	4.4
189.12749	8.9
190.13538	5.6
191.10672	5.8
191.14267	2.7
193.10199	2.9
193.12219	7.7
194.10925	3.1
195.11716	9.2
196.12402	4.7
197.13255	14.0
198.10280	2.7
199.11201	6.1
199.14784	3.3
201.12727	7.5
203.14340	16.6
204.14648	2.4
207.11639	4.9
207.13786	8.4
208.12630	4.1
208.14583	6.9
209.13222	6.8
210.13788	2.2
211.11229	4.2
211.14807	6.3
213.12744	2.7
213.16360	2.1
215.14352	2.3
219.11836	2.2
219.13838	6.5
221.13408	5.2
221.15364	100.0
222.13879	2.8
222.15701	14.5
223.14813	5.5
225.12695	3.5
225.16302	2.3
227.14288	3.3
229.12317	1.9
229.15952	2.4
233.13156	3.7
233.15288	2.5
234.16179	17.8
235.14853	2.7
237.12720	4.8
239.14284	3.2
241.15907	3.4
246.13809	1.9
247.16982	22.0
248.17284	3.0
249.16260	2.5
251.14116	2.7
259.17014	2.8
261.16168	2.2
261.18677	2.2
263.17761	2.0
269.15491	2.4
271.16937	2.8
273.18671	2.2
274.19305	10.7
279.17578	1.9
281.18982	2.1
285.18539	3.3
286.19312	3.5
287.20056	12.4
299.20200	14.5
300.20691	3.0
307.20633	2.2
311.19977	4.1
312.20746	5.3
313.21518	5.5
325.21588	12.6
327.22958	2.0
328.23419	1.8
337.21594	4.9
339.23248	4.8
340.23947	16.5
352.23953	27.6
365.24741	5.5
366.25476	3.3
387.25293	4.5
391.26492	4.6
392.26758	2.8
413.26755	3.9
419.29156	8.3
420.30109	2.7
425.26813	4.8
426.27505	2.8
427.28485	10.8
428.28925	3.7
440.29205	35.1
442.30728	3.9
507.34039	2.9
508.34995	6.1
520.35516	23.7
521.36011	2.4
582.40454	2.1
585.39392	2.7
600.41394	36.6
600.55518	3.3
601.41626	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	601.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82009	0.4
55.05507	0.6
56.96555	1.4
57.03439	0.9
58.25560	0.4
59.81377	0.4
62.74057	0.3
67.05507	0.8
67.28281	0.4
69.03423	1.0
69.07070	1.1
70.06580	1.6
71.55522	0.7
79.05489	0.9
81.03422	1.3
81.07063	1.1
83.04993	0.5
85.02912	0.6
89.03938	0.5
91.05463	0.8
93.07026	0.5
95.04964	1.0
95.08593	0.7
97.06557	2.8
98.97599	0.5
105.07045	0.7
115.05478	0.6
115.44519	0.4
117.03426	0.5
119.08603	0.6
121.10137	0.7
123.04424	0.5
127.03915	0.4
129.06992	0.8
131.08588	0.5
133.10110	0.7
142.46841	0.4
143.04956	0.5
147.04402	0.9
151.03905	0.9
153.01855	2.2
153.05478	6.7
157.06538	0.6
161.02422	0.5
161.05995	1.7
161.09639	0.4
163.03902	3.1
167.03423	24.2
170.02165	0.8
173.02370	0.8
173.06010	1.3
177.05551	0.6
185.05983	0.4
187.07567	0.8
188.43324	0.4
189.05478	1.2
189.09158	0.5
213.05780	0.4
215.07109	1.0
229.05035	0.7
241.11391	0.5
253.11070	0.7
257.04492	0.7
259.09708	3.1
265.04956	1.4
271.06131	0.6
272.06815	3.4
279.06644	0.5
285.07397	0.7
286.04794	0.6
287.05539	0.8
293.04672	0.6
298.04663	0.7
300.06314	10.9
301.06934	0.5
309.07468	0.6
310.04745	2.3
311.05573	4.2
313.07181	1.0
322.04474	0.5
323.05411	1.0
325.07126	9.2
325.10950	0.6
326.04373	0.6
337.07031	1.9
341.06711	1.6
353.10336	1.4
405.46542	0.4
409.16342	0.5
411.18088	15.3
421.16376	2.1
439.17587	100.0
440.17871	2.4
559.18372	0.6
601.21832	3.1
601.30591	0.8
621.98627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96230	8.2
64.73521	6.8
69.24949	33.2
69.25375	35.1
84.04526	61.3
84.08154	100.0
86.09731	8.0
89.20773	7.0
90.23370	7.4
94.32001	6.5
113.05941	9.8
114.97901	6.8
130.05008	14.7
130.08661	81.5
154.33830	6.5
180.13399	7.9
185.02867	8.9
192.88962	6.9
196.09654	7.7
230.04414	7.0
242.10271	10.2
259.12912	91.9
280.69656	7.6
472.07971	16.2
472.93784	7.9
486.05029	14.5
557.12006	17.4
601.12970	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28370	0.9
52.28291	0.9
53.03951	9.3
54.81540	1.2
55.01888	6.4
55.05513	2.4
57.03450	6.3
61.02930	4.6
62.28494	1.0
67.05507	4.9
68.99795	4.2
69.03439	38.6
69.07075	1.4
70.09467	4.7
71.04993	4.7
71.45402	0.9
73.02936	7.7
79.05522	5.5
81.03429	37.3
81.07069	8.2
83.01328	1.6
85.02918	61.6
86.09641	0.9
87.00844	22.2
87.04473	1.2
89.27411	1.0
91.03976	1.8
91.05488	6.8
93.07058	8.6
95.08632	10.9
97.02905	20.4
97.06550	1.3
99.04471	13.2
101.02406	1.2
103.03927	1.3
105.01877	16.8
105.07050	11.9
107.08601	12.0
109.02898	36.6
109.06542	3.9
109.10161	7.8
111.08092	1.5
112.26747	1.0
115.03930	1.6
117.01874	4.8
117.07064	2.7
119.08600	10.7
121.06530	27.6
121.07378	1.9
121.10176	7.8
121.58598	1.2
123.08076	11.0
123.11729	1.8
127.03934	54.6
129.01886	5.0
129.06987	1.8
131.08560	5.3
133.06525	2.0
133.10153	6.4
135.08080	17.9
135.11681	4.9
137.05951	1.5
137.09631	3.6
142.07739	1.1
143.08568	3.4
145.04988	18.8
145.10147	6.8
147.02922	2.6
147.08051	8.3
147.11687	6.3
149.09673	2.7
151.07590	2.3
155.08548	2.0
157.10081	4.9
159.02901	19.0
159.08089	2.9
159.11725	4.7
161.09636	9.8
161.13257	2.2
163.03975	1.4
163.11243	1.2
165.09070	1.8
167.08658	1.3
169.10199	2.4
171.11667	5.0
173.09679	3.4
173.13289	2.1
175.11223	4.0
183.11739	2.4
185.09631	1.3
185.13298	2.3
187.11258	1.6
187.14931	1.4
187.67442	1.2
189.04028	2.3
193.12143	1.4
195.11737	1.6
197.13321	3.0
199.11188	1.3
199.14832	2.7
211.14850	2.4
213.03995	2.0
213.12825	1.4
213.16435	2.0
215.14336	1.7
221.13197	1.3
227.18010	1.6
231.05019	11.4
239.18111	1.7
241.19507	2.3
249.06129	1.6
253.19579	3.5
255.17393	1.2
257.19070	3.8
269.19089	7.9
271.20633	4.2
273.18546	2.3
279.19653	1.3
281.18982	5.6
287.05591	4.8
287.20065	7.9
289.21762	1.4
299.05606	1.9
299.20084	10.3
305.21106	7.5
317.21069	10.8
335.22183	23.7
353.23273	100.0
354.23752	1.7
601.28058	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	601.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01862	2.5
55.05517	14.3
56.70032	1.6
57.03429	2.4
57.07083	12.4
65.03948	2.4
67.05508	21.1
69.03431	10.6
69.07072	13.3
71.15956	2.9
79.05497	19.5
81.03423	4.4
81.07063	33.7
83.04977	6.9
83.08620	4.9
85.06535	4.7
89.06010	1.8
89.14876	1.6
91.05491	30.9
92.05798	4.6
93.07051	44.2
94.07373	2.7
95.04980	10.2
95.08066	2.4
95.08620	34.7
97.06518	5.9
97.10133	2.2
103.05447	2.7
105.07040	55.7
106.07349	3.4
107.04963	3.5
107.08606	26.9
108.08953	2.4
109.06529	15.7
109.10165	15.5
111.08073	4.0
117.07024	14.4
119.08588	59.4
120.08904	5.1
121.06562	8.9
121.10162	28.3
122.07305	1.7
122.10448	3.4
123.08087	15.2
123.11721	3.6
125.05996	7.9
128.06200	4.9
129.07022	9.3
130.07826	4.9
131.08577	25.0
133.06506	3.2
133.10135	26.6
135.08073	15.1
135.11711	10.3
137.09624	18.1
139.07544	1.7
139.11110	3.2
141.07039	3.5
142.07802	9.0
143.08580	18.4
144.09166	5.2
145.06497	1.7
145.10144	42.0
146.10481	5.3
146.12010	1.6
147.08058	28.7
147.11703	11.0
148.08386	4.3
148.12045	1.9
149.09677	9.2
149.13237	2.1
151.07552	18.6
151.54764	1.5
154.07806	2.1
155.08601	9.0
156.09290	7.2
157.10139	29.6
158.10634	5.9
159.08020	4.5
159.11732	22.0
160.12169	3.6
161.09650	10.3
161.13197	8.1
162.10046	2.5
163.11195	15.4
164.11627	2.2
165.07001	4.0
165.09126	50.7
166.07845	2.2
166.09412	6.2
167.08539	5.2
168.09256	3.5
169.10165	14.0
170.10789	5.5
171.11708	16.2
172.12204	2.9
173.09612	6.2
173.13228	9.0
174.10144	1.9
175.11208	8.2
175.14822	6.3
176.11577	2.5
177.09154	1.8
177.12715	2.3
179.08623	3.6
179.10616	1.6
180.09186	2.7
181.10115	5.9
181.12213	12.0
182.10825	5.0
182.12575	2.9
183.11696	13.2
184.12344	3.8
185.09630	2.3
185.13264	10.0
187.11220	5.8
187.14830	7.8
189.12717	6.1
189.16464	2.1
190.13457	3.8
191.10696	2.7
191.14290	2.8
193.10068	4.8
193.12253	6.7
194.10854	4.1
195.11743	12.7
195.13330	2.4
196.12225	3.6
197.13263	11.3
198.13737	3.6
199.11143	4.9
199.14757	5.2
201.12660	3.1
203.14343	19.2
204.14709	3.9
206.10925	2.9
207.11734	6.1
207.13799	10.6
208.12201	2.5
208.14368	3.5
209.13202	7.9
209.15125	3.4
210.13673	3.7
211.14798	6.2
213.12694	2.6
213.16341	4.5
214.13248	2.7
215.14233	3.8
219.11682	2.0
219.13776	3.2
220.14346	2.4
221.13327	6.1
221.15361	100.0
222.13797	2.8
222.15677	13.2
224.15569	2.2
225.12820	1.9
225.16452	3.3
227.14401	2.5
233.15358	2.4
234.13785	2.1
234.16071	7.1
235.14615	3.1
235.16550	4.6
237.16417	3.1
240.18544	2.4
247.16914	13.1
248.17305	4.8
249.16171	2.3
252.18706	1.8
260.17560	2.2
265.08362	2.3
265.19833	2.0
267.17459	2.5
271.09210	2.0
271.16986	2.8
274.19284	3.9
277.19263	1.9
283.20627	2.8
285.18649	2.4
286.19351	3.8
287.19995	8.0
288.20432	3.8
299.20135	5.0
300.20605	7.4
301.21664	3.9
311.20160	2.6
312.20731	2.5
313.21542	4.9
325.21887	2.5
326.21930	3.8
337.21475	2.3
340.23779	4.6
341.24298	3.7
352.23917	6.1
353.24188	7.4
365.24286	2.2
366.25369	2.5
367.26202	7.6
371.21481	2.2
377.24203	2.4
378.25253	2.5
388.25549	2.2
392.26959	2.3
393.27832	3.0
399.20752	2.1
409.86081	2.1
413.26648	2.4
420.29657	3.2
421.30743	2.2
427.20480	3.0
427.28366	4.2
428.28784	4.7
440.29031	5.1
441.29599	13.6
469.25439	2.4
491.35083	8.1
508.34943	2.3
509.35947	5.7
514.24902	5.0
521.35974	12.3
541.23236	6.9
583.41718	11.4
584.40790	1.9
586.39478	2.0
601.25134	12.3
601.34900	36.0
601.42297	29.3
602.42993	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.05511	18.0
55.07866	3.0
57.07072	8.6
59.04990	4.3
65.03925	8.1
67.05511	40.2
69.03449	13.7
69.07082	19.3
69.07391	4.3
69.88205	9.8
71.05010	4.9
74.20247	3.2
79.05495	41.2
81.07067	48.9
83.04989	24.6
83.08631	17.4
84.60520	3.2
85.06527	8.3
87.04463	4.1
91.05496	64.1
93.07056	73.6
94.07363	3.4
95.04972	24.4
95.08615	35.1
97.06564	16.0
98.20800	5.2
103.05465	4.7
105.04491	3.4
105.07040	100.0
106.07365	4.1
107.04948	4.8
107.08599	80.2
109.06539	15.4
109.10174	28.6
111.08070	4.1
113.09626	3.8
115.05472	7.2
116.06201	4.0
117.07025	20.7
119.08590	87.5
120.08826	3.3
121.06525	13.7
121.09322	5.3
121.10155	77.6
123.08117	19.6
123.11694	10.0
125.09616	13.6
128.06242	16.7
129.07027	25.9
130.07767	8.6
131.08580	42.3
133.06517	4.7
133.10149	52.9
134.10446	3.8
135.08063	18.3
135.11710	18.0
135.12550	2.9
137.09570	8.8
139.11189	4.7
141.06973	13.4
142.07803	29.8
143.08585	44.4
144.09209	10.2
144.34077	2.9
145.06398	3.4
145.09053	4.0
145.10146	68.1
147.08026	10.4
147.11690	20.4
149.09616	22.0
149.13193	5.7
151.07591	5.8
153.06973	3.8
154.07784	5.6
155.08559	15.2
155.10704	3.7
156.09387	21.5
157.08977	4.0
157.10147	56.1
158.10674	8.8
159.08055	22.2
159.11716	41.2
161.09584	12.4
161.13286	7.3
163.11174	8.6
165.06958	6.3
165.09184	6.7
167.08542	9.4
167.10686	61.7
168.09308	6.4
169.10139	29.1
170.10791	8.6
171.11717	42.9
172.12073	4.2
173.09618	7.8
173.13268	20.1
173.27296	2.9
175.11194	12.6
175.14821	10.2
176.11623	3.8
179.08568	13.1
180.09300	9.2
181.10143	20.5
181.12213	7.7
182.10855	11.2
183.11676	23.0
184.12215	6.3
185.09604	4.7
185.13252	17.3
187.14856	8.2
189.12752	6.8
191.14262	6.4
192.09280	6.9
193.10110	13.6
194.10887	11.3
195.11685	23.8
196.12335	9.5
197.13268	27.6
198.13875	3.2
199.11113	4.8
199.14760	15.2
201.12775	4.7
201.16357	4.9
203.14316	8.1
205.10107	3.9
205.15807	3.7
206.10892	6.1
207.11787	15.3
207.13579	3.9
208.12372	9.1
209.13274	25.5
209.15190	5.6
210.13806	7.3
211.14867	14.2
213.12752	7.9
213.16400	6.9
215.14290	7.3
219.11636	4.4
220.12361	3.9
221.13194	12.2
221.15370	17.7
222.13829	4.3
223.14821	13.8
225.16270	5.5
227.14232	3.5
229.12334	3.1
231.11679	7.0
233.13168	6.8
233.15352	30.7
234.13692	3.3
235.14755	9.8
237.16393	9.1
239.14290	4.9
239.17935	7.0
247.14664	5.4
247.16954	4.5
249.16418	8.0
251.17903	7.0
253.15933	4.4
255.17418	6.7
256.17648	5.0
257.18991	3.3
260.15619	4.5
261.16415	6.0
262.16803	3.2
263.17984	7.3
265.19550	4.5
269.19025	7.7
279.17157	3.7
281.19000	5.5
283.20633	5.5
285.18481	5.2
295.20444	5.1
297.22009	3.3
299.20065	4.5
367.26184	3.1
565.40320	5.6
583.41382	7.2
601.42194	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01876	1.3
55.05505	6.9
57.07075	7.2
59.04994	3.2
64.76394	1.4
67.05508	10.7
69.03429	8.7
69.07073	6.7
69.35101	9.4
77.03949	1.3
79.05491	11.1
81.07064	17.2
83.04990	4.1
83.08606	2.7
85.06539	3.9
91.05490	23.5
93.07051	32.6
94.07898	1.2
95.04971	7.6
95.08066	1.3
95.08614	17.8
97.06513	3.5
98.20695	2.6
103.05469	1.6
105.04540	1.2
105.07039	36.5
106.07346	2.7
107.04954	2.0
107.08605	18.8
108.08928	1.3
109.06533	8.7
109.10183	7.4
111.08088	1.5
115.05428	1.6
116.06210	1.4
117.07028	8.0
119.04929	1.5
119.06082	1.7
119.08594	41.9
120.08936	2.8
121.06507	4.2
121.10163	16.6
123.08078	15.0
123.11689	2.5
125.05994	4.2
128.06224	4.4
129.06981	5.3
129.36504	1.2
130.07732	2.8
131.08580	16.0
133.06496	2.8
133.10146	21.2
135.08070	10.0
135.11681	7.1
136.08427	1.8
137.05972	1.9
137.09598	12.8
141.06999	1.9
142.07809	6.6
143.08588	11.7
144.09369	3.1
145.10146	27.4
146.07243	1.3
146.10483	3.0
146.60699	1.4
147.08057	24.4
147.11639	7.1
148.08420	1.6
148.36623	1.3
149.09595	5.0
151.07556	13.0
154.07840	1.4
155.08600	7.0
156.09319	5.8
157.10153	21.2
158.10716	3.9
159.08046	3.4
159.11697	16.7
160.12112	1.2
161.09634	7.1
161.13226	5.9
163.11200	8.9
164.11476	1.5
165.09122	43.3
166.09435	3.0
166.78415	1.2
167.08559	2.6
168.09315	2.8
169.10121	9.5
170.10852	4.2
171.11705	9.8
172.12172	1.8
173.09637	3.6
173.13293	6.0
175.11153	6.0
175.14848	5.0
177.09128	1.7
177.12776	1.2
177.61092	1.2
179.08524	1.6
179.10732	2.2
180.09372	1.4
181.10159	5.8
181.12253	7.8
182.10947	2.2
182.12512	2.3
183.11737	8.8
184.12227	2.4
185.09698	1.9
185.13251	7.8
186.13763	1.6
187.11223	3.2
187.14833	5.7
189.12743	5.7
190.13422	1.8
193.10164	3.5
193.12149	2.6
194.10886	1.9
194.28677	1.3
195.11699	7.4
196.12418	3.7
197.13286	6.9
199.11046	1.3
199.14742	2.0
201.12715	3.7
203.10692	1.3
203.14316	17.8
204.14772	2.8
206.10846	2.2
207.11810	3.0
207.13806	6.0
208.14439	1.7
209.13232	6.9
209.15190	2.6
210.13864	1.8
211.11143	1.9
211.14830	4.1
213.12656	2.5
213.16437	2.7
215.14200	1.5
219.11763	1.6
219.13829	1.4
221.13498	3.9
221.15375	100.0
222.15788	8.2
223.14795	2.4
225.12721	1.4
225.16373	1.7
229.12267	1.8
233.13237	2.0
233.15352	2.0
234.13963	1.5
234.16142	4.5
235.14648	2.7
235.16698	3.1
237.16325	1.7
247.16943	5.2
248.17297	3.4
250.16933	1.5
253.16154	1.5
259.14691	1.5
259.17221	2.2
264.14725	1.4
269.18906	1.3
274.19281	2.4
275.19827	1.5
277.33105	1.3
279.85834	1.2
283.20502	1.4
286.19244	2.3
287.20190	6.4
288.20450	1.4
295.20383	1.5
297.22040	1.9
298.19217	1.4
299.20090	5.1
300.20697	5.0
301.21542	4.3
311.20160	1.7
313.21317	1.9
325.21503	3.6
326.21924	2.4
340.23807	3.8
341.24292	3.1
352.23859	3.9
353.24313	6.8
357.25568	1.5
365.25061	1.3
366.25247	2.3
367.26379	7.9
393.27942	2.7
419.29739	1.7
420.29843	2.2
421.30533	2.8
427.28122	2.6
428.29044	3.6
440.29150	5.4
441.29575	9.4
443.30951	1.6
455.29684	1.3
491.35187	6.3
509.36240	3.6
521.35992	8.4
583.41455	11.4
601.42371	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.1
55.05508	23.2
57.07072	11.6
59.04983	3.6
65.03932	4.1
67.05508	34.1
69.03448	11.7
69.07076	19.9
69.31902	22.0
71.04997	4.3
71.17306	2.4
79.05499	40.6
81.03410	4.2
81.07066	48.0
83.04994	21.1
83.08618	16.9
85.06564	5.5
87.04465	4.7
89.06042	8.8
91.05482	68.5
92.05820	3.8
93.07050	81.1
94.07376	2.7
94.71254	2.7
95.04965	20.7
95.08618	36.1
97.06534	13.9
97.10121	2.8
103.05444	4.9
105.04548	2.9
105.07040	100.0
106.07321	3.9
107.04973	3.5
107.08604	68.1
108.08914	3.1
109.06512	16.1
109.09452	3.4
109.10165	34.2
111.08086	5.1
113.09620	4.7
115.05456	9.3
116.06277	3.0
117.07039	19.0
119.08595	89.9
119.09460	4.8
120.08903	3.0
121.06525	10.2
121.09306	5.0
121.10154	71.4
122.10484	3.1
123.08086	18.6
123.11713	7.3
125.06014	3.5
125.09660	15.5
128.06268	11.7
129.07054	19.9
130.07748	7.5
131.08588	41.5
133.06480	6.7
133.08583	3.8
133.10136	51.3
135.08061	16.6
135.11656	19.7
137.09633	6.8
139.11194	7.9
141.06993	8.4
142.07814	24.6
143.08598	40.6
144.09416	12.3
145.10139	70.3
146.10439	3.2
147.08084	14.1
147.09071	2.3
147.11708	22.3
149.09621	18.3
149.13318	5.1
151.07565	6.0
151.11119	3.8
153.07007	4.3
154.07834	2.5
155.08591	17.8
155.10689	7.9
155.92474	2.2
156.09361	18.2
157.10144	52.8
158.10764	9.8
159.08084	18.1
159.11702	30.9
161.09641	11.3
161.13275	6.7
163.11194	9.7
165.06990	4.8
165.09143	15.8
166.07774	3.9
167.08530	9.7
167.10680	48.8
168.09308	4.6
169.10129	25.6
170.10858	9.1
171.08121	2.6
171.11690	31.1
172.12317	4.8
173.09607	6.6
173.13239	18.9
175.11159	8.5
175.14818	11.3
179.08563	10.3
180.09186	7.1
181.10133	17.8
181.12254	7.5
182.10953	11.4
183.08058	3.9
183.11703	21.1
184.12297	3.4
185.09558	4.1
185.13301	18.4
187.11179	5.7
187.14830	10.7
189.12784	8.0
191.08533	2.9
191.14169	3.7
192.09396	2.7
193.10234	14.8
193.11925	3.0
194.10820	7.2
195.11696	22.9
196.12419	8.3
197.13255	27.9
198.13867	2.7
199.11168	4.5
199.14824	11.3
201.12639	4.4
201.16396	6.9
203.08510	4.3
203.14337	8.0
205.15945	2.4
206.10875	3.6
207.11687	16.6
207.13594	4.1
208.12340	9.6
209.13300	24.2
209.15154	5.3
210.13948	3.5
211.11119	3.7
211.14914	18.4
212.15263	5.5
213.12715	4.0
213.16420	4.3
215.14334	6.9
217.10173	3.7
217.15825	3.6
219.11728	4.2
220.12244	4.1
221.13225	12.3
221.15398	41.2
222.13867	4.7
222.15807	4.0
223.14813	14.6
224.15359	4.4
225.12807	4.4
225.16371	8.7
227.14386	6.5
228.14740	2.5
232.12387	2.9
233.13249	6.0
233.15306	23.4
234.15997	4.9
235.14771	7.7
236.15372	2.8
237.16374	8.7
239.17979	3.7
241.15843	4.0
245.13373	3.9
246.13882	3.5
247.14774	3.3
249.16307	6.4
251.17944	5.3
253.19460	2.7
255.17448	7.8
259.14719	4.0
260.15662	3.8
261.16376	7.0
265.19516	6.2
269.18973	6.9
271.20349	3.0
273.18683	3.1
275.18002	3.8
277.19537	3.3
281.19031	3.8
283.20560	6.5
285.18658	3.3
287.20172	3.9
295.20416	4.2
299.20169	3.6
301.21725	3.1
349.25323	4.1
361.25000	2.6
565.40472	4.1
583.40979	9.5
601.27356	22.8
601.36102	8.8
601.42065	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.5
55.01872	3.6
55.05518	26.4
57.07085	22.9
59.05008	4.4
65.03936	4.2
67.05175	3.2
67.05512	42.0
69.03438	18.7
69.07073	23.8
71.08632	5.0
76.91076	3.0
79.05503	37.9
81.03428	27.8
81.07072	53.9
83.04989	26.3
83.08609	15.8
85.06547	8.0
89.06011	4.1
91.04973	5.5
91.05491	76.5
93.07059	86.7
94.07402	3.1
95.04991	25.4
95.08068	3.4
95.08621	52.2
97.06539	14.6
99.08052	3.4
103.05472	6.9
105.07042	98.5
106.07332	5.0
107.04945	6.6
107.08607	79.9
109.06522	23.7
109.10168	39.6
111.08076	9.3
113.06073	3.1
113.09618	4.4
115.05471	13.6
116.06245	6.7
117.07030	27.1
119.08594	100.0
121.06504	14.5
121.09325	5.7
121.10159	89.5
123.08089	24.3
123.11717	8.9
123.48450	3.0
125.05954	3.6
125.09644	15.1
128.06242	16.0
129.07031	23.6
130.07773	11.0
131.08589	50.3
133.06523	7.3
133.08614	3.5
133.10136	67.1
135.08083	20.3
135.11713	24.9
137.09621	17.4
139.11208	5.9
141.07021	12.9
142.07800	28.3
143.08585	41.0
144.09427	16.9
145.10139	72.0
146.10550	4.5
147.08063	28.9
147.11720	27.2
149.09634	21.6
149.13271	5.0
151.07585	11.2
153.07007	5.4
154.07765	4.0
155.08623	19.6
155.10631	4.5
156.09367	14.6
157.10150	53.6
158.10689	10.8
159.04465	4.7
159.08133	17.0
159.11731	48.4
160.05222	4.4
160.12122	5.9
161.05956	10.6
161.09637	26.3
161.13266	13.5
163.11224	14.6
165.07050	7.4
165.09137	32.6
167.08554	10.7
167.10701	54.7
168.09337	6.4
169.10135	31.6
170.10815	11.9
171.11700	41.6
172.12062	5.8
173.06024	11.7
173.09645	8.8
173.13271	22.7
175.11185	12.1
175.14815	13.0
177.12643	3.3
179.08583	9.8
180.09216	5.8
181.10173	18.4
181.12254	9.2
182.10838	11.9
183.11703	28.0
184.12401	5.4
185.09537	4.6
185.13326	23.2
186.13638	4.4
187.11150	4.8
187.14824	15.2
189.12724	7.5
191.14316	8.0
193.10170	14.4
193.11932	2.8
194.10756	9.2
195.11713	23.5
196.12274	10.7
197.09689	4.1
197.13258	28.0
198.13924	3.5
199.11275	5.4
199.14795	14.6
201.12714	8.3
201.16383	10.3
203.14378	19.8
205.10078	3.3
206.10970	5.4
207.11642	14.6
207.13654	6.1
208.12366	11.4
209.13290	31.4
209.15138	5.1
210.13826	4.7
211.11313	5.8
211.14853	19.4
212.15147	4.7
213.12805	8.4
213.16365	7.0
215.14355	6.9
217.10187	5.1
217.15976	5.8
219.11749	4.6
220.12425	4.7
221.13249	18.9
221.15381	85.7
223.14874	15.3
224.15564	4.3
225.12970	4.7
225.16376	9.2
227.14285	5.3
227.17970	3.5
229.15800	4.2
231.11607	4.7
232.12302	4.2
233.13222	7.1
233.15396	29.6
235.14751	8.1
236.15364	4.7
237.16382	10.4
238.16612	3.5
239.17870	4.8
243.13852	6.2
245.13234	7.7
246.13986	4.8
247.14729	7.1
248.15565	3.8
249.16461	10.9
251.17990	7.7
253.15991	6.4
253.19261	3.1
255.17538	7.8
256.17853	4.9
259.14761	6.0
261.16357	5.9
262.16937	3.5
263.17944	3.6
264.18521	4.6
265.19543	4.5
267.20804	3.3
269.18872	8.3
271.13159	16.1
281.19003	5.6
283.20520	9.7
285.18536	3.8
287.20227	6.1
289.14319	4.8
295.20389	4.7
301.21899	4.5
313.27316	11.8
331.24219	4.4
345.17102	4.3
347.23648	3.8
349.25290	3.4
365.24811	5.7
431.29175	4.1
440.30066	5.2
491.35153	7.8
514.17975	4.2
521.35669	3.9
525.21228	6.4
565.40399	4.4
583.41461	18.7
601.22784	16.9
601.41937	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01866	6.1
55.05515	53.5
57.03426	10.1
57.07087	17.9
67.05241	3.2
67.05511	43.4
69.07072	56.8
71.08620	11.1
71.15083	7.5
73.14112	3.1
79.05495	39.8
81.07062	46.0
83.05002	7.2
83.08621	50.6
85.10171	7.6
89.06004	5.9
91.05484	69.2
91.98941	3.1
93.07048	40.0
95.04946	12.1
95.08598	32.7
96.05308	3.9
97.06520	6.9
97.10170	33.4
103.05457	3.7
105.07029	58.5
107.04942	6.9
107.08608	20.5
109.06534	10.4
109.10125	10.1
111.08105	4.0
111.11736	7.0
115.05447	6.2
116.06178	5.6
117.07008	34.1
119.08591	39.3
121.06515	8.3
121.10152	25.9
123.08057	5.6
123.11712	6.9
125.09637	4.5
128.06213	25.6
129.07004	20.4
130.07765	8.3
131.08571	74.6
133.06485	5.6
133.10109	23.9
135.08075	5.7
135.11655	11.7
137.09538	5.0
141.06982	11.1
142.07797	11.0
143.08569	71.1
143.09662	5.3
144.05838	3.4
145.10132	79.7
147.08028	7.9
147.11694	6.1
149.09619	6.0
155.08572	9.0
157.10130	21.4
159.08025	6.4
159.11638	17.3
161.09627	10.3
161.13268	6.0
163.11076	4.7
165.09087	7.1
167.08652	5.2
169.10103	12.8
171.11659	20.8
173.13292	5.9
173.92336	3.3
175.11208	5.5
181.10110	11.4
183.11694	9.7
185.13264	8.0
195.11667	18.8
197.13409	4.6
209.13287	5.3
213.16309	3.5
221.15416	12.6
227.17879	3.4
237.16327	15.2
237.22148	3.9
245.19235	5.5
255.17357	16.4
273.18506	32.7
275.30756	3.9
311.25824	100.0
328.63721	3.7
329.20953	4.8
347.22141	21.5
398.08994	3.4
583.43738	30.0
595.06250	4.2
601.43750	15.3
601.54199	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	603.3172
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03951	10.4
55.01873	10.2
55.05516	41.8
56.96568	2.3
57.03442	14.3
67.05511	45.2
69.03439	10.3
69.07066	11.2
71.04999	7.3
71.55429	4.1
79.05502	56.7
81.03425	62.8
81.07070	47.5
83.04989	14.2
83.08620	21.4
83.74704	2.7
84.08216	2.6
85.02911	28.4
85.06568	3.1
90.78099	2.6
91.05492	51.6
93.07056	32.5
95.04976	49.6
95.08615	23.3
97.02921	8.9
97.06548	7.7
97.10185	23.9
99.04482	3.3
103.05485	6.3
105.03439	2.5
105.07036	33.2
106.57659	2.6
107.04967	19.0
107.08598	17.2
108.62921	2.5
109.02888	13.8
109.06549	10.3
109.10191	8.7
111.04443	13.9
111.08093	10.6
115.05470	13.6
117.07032	21.5
119.04964	11.3
119.08586	19.4
121.02890	9.2
121.06516	18.5
121.10165	12.3
123.04465	8.5
123.08091	8.6
123.11707	4.4
125.09592	14.2
128.06210	4.2
129.07025	21.5
131.04941	14.9
131.08598	17.7
133.06508	14.4
133.10161	11.1
135.04442	4.6
135.08093	9.7
135.11700	6.1
137.02386	4.8
137.06009	4.4
141.07013	10.4
142.07825	4.1
143.08578	11.9
145.06477	27.1
145.10153	10.9
147.04434	21.3
147.08128	9.0
147.11766	8.5
149.06029	6.9
149.09644	8.4
151.03941	9.2
153.07086	3.5
153.09131	3.1
154.07756	2.8
155.08603	11.4
157.06526	9.2
157.10184	11.1
159.08131	10.2
160.05205	7.2
161.05992	24.5
161.09654	8.3
161.23271	2.9
163.03967	7.0
163.11229	12.2
167.08627	6.0
169.06529	7.1
169.10117	4.1
170.86720	2.6
171.08072	10.7
171.11754	2.8
173.05986	39.3
173.09627	6.2
173.13228	2.5
174.06830	9.4
175.03955	6.2
175.07605	7.8
175.11223	7.9
179.08516	3.1
181.06563	3.4
181.10124	4.5
181.12315	6.8
183.08076	3.8
185.06023	6.2
185.09698	4.6
185.13312	3.2
186.06720	3.3
187.07510	22.5
189.05458	28.8
189.09157	5.1
189.11247	8.7
191.07057	3.3
191.10664	5.1
193.10490	4.9
193.12308	24.7
195.08186	4.2
195.11742	5.0
196.08649	2.8
197.13216	2.5
199.07594	7.7
201.05518	4.2
201.09264	3.2
203.06981	4.7
203.10699	3.3
205.12216	2.9
209.09618	3.2
209.13466	3.4
211.07675	8.0
211.11464	4.7
211.13321	26.3
213.05734	2.9
213.09154	4.7
215.07111	5.4
215.14268	2.5
227.12810	10.7
229.08624	3.3
237.12717	4.8
238.57574	2.5
239.14284	3.0
243.13846	3.4
245.09042	2.4
255.13928	9.3
257.15451	6.8
265.12262	3.5
267.15994	7.8
268.32150	2.6
269.15604	2.8
271.13336	3.5
273.14822	22.8
283.13156	19.5
285.14352	13.3
285.17139	9.2
289.14444	5.4
291.16037	2.9
301.14340	83.6
301.17554	4.8
303.16235	5.9
311.16464	4.0
313.18066	3.5
315.16086	7.5
319.15280	14.3
323.16565	6.5
325.14096	3.7
327.15588	2.6
339.15833	4.1
341.17532	16.2
343.15598	14.5
357.17068	5.5
361.16452	4.5
375.18033	18.2
393.19049	4.8
447.25354	2.9
465.26358	4.3
475.24808	3.7
493.25833	12.6
511.26917	12.7
525.28906	5.1
529.27747	4.5
539.30005	3.1
543.29620	22.5
549.28131	3.7
555.29523	3.4
567.29657	25.3
573.30615	17.7
585.30682	100.0
603.23224	6.2
603.31714	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	11.4
53.42255	2.0
55.01872	10.5
55.05515	35.8
57.03452	13.5
65.91102	2.2
67.05168	3.6
67.05513	47.8
69.03435	9.6
69.07083	12.0
70.78946	2.7
70.79286	4.0
71.04988	10.2
79.05067	2.8
79.05505	51.9
81.03425	84.0
81.07064	40.9
83.04984	20.4
83.08636	27.5
85.02915	34.5
91.05495	57.7
93.07055	35.9
95.04982	61.7
95.08612	19.0
97.02911	8.6
97.06524	7.6
97.10190	15.1
99.04478	2.4
103.05470	6.8
105.03412	3.3
105.04556	3.0
105.07047	42.6
107.04961	24.4
107.08613	21.8
109.02884	23.7
109.06547	8.8
109.10159	7.2
111.04477	16.6
111.08115	11.3
113.06098	2.4
115.05446	13.5
116.06225	2.7
117.07056	20.8
119.04971	9.4
119.08611	22.6
121.02888	9.0
121.06512	15.5
121.10152	13.4
123.04446	7.1
123.08099	8.5
125.09653	11.6
127.03983	4.0
128.06239	8.1
129.05560	2.6
129.07024	24.5
130.07753	2.9
131.04936	16.9
131.08583	20.6
131.48752	2.3
133.06516	16.6
133.10120	11.3
135.04390	5.1
135.08061	8.6
135.11743	6.9
137.02412	7.4
137.06006	4.6
137.09685	2.5
141.07027	7.1
142.07747	4.8
143.08585	10.1
145.06494	22.1
145.10185	11.8
147.04439	7.6
147.08087	9.9
147.11671	15.5
149.06009	10.1
149.09636	7.0
153.09100	2.4
153.12794	3.9
155.08583	6.7
157.06514	12.1
157.10129	16.6
159.04469	3.8
159.08087	9.1
160.05290	3.5
161.05995	24.1
161.09569	3.4
163.03899	2.9
163.07629	4.6
163.11226	9.6
165.06967	2.6
167.08621	6.3
169.06522	5.5
169.10187	4.1
171.08057	10.4
171.11693	2.2
173.06004	33.3
173.09708	7.2
174.06822	8.7
174.09302	2.4
175.03951	5.6
175.07497	5.8
175.11194	16.5
179.08566	3.9
181.06573	3.4
181.10149	3.8
181.12268	4.9
183.08041	4.5
183.11592	2.6
185.05980	4.6
185.09631	4.9
185.13446	2.7
186.06709	3.3
187.07520	12.5
189.05499	26.2
189.09245	3.9
189.11241	4.1
193.12254	39.1
195.08061	3.3
195.11711	3.6
197.09688	3.2
199.07533	5.8
201.09152	4.0
203.10657	2.6
205.12233	3.1
209.13367	3.7
211.07553	2.9
211.11351	3.3
211.13327	39.3
213.12708	2.7
217.12161	2.5
225.05434	2.4
227.12802	7.9
227.14684	3.9
237.12804	5.1
255.13823	13.1
257.15497	6.6
259.13333	3.7
265.12210	2.9
267.16040	7.4
271.13156	4.8
273.14908	26.8
283.13092	13.8
285.14764	9.4
285.17441	18.7
287.05609	4.5
289.14441	5.4
291.16101	5.5
301.14343	100.0
303.16129	5.6
315.16220	2.9
319.15460	18.8
341.17618	5.1
345.17081	2.7
357.17068	7.4
359.18774	5.1
375.18063	22.5
385.23627	2.4
393.19232	7.5
447.25092	3.4
459.27469	5.7
493.26108	7.0
511.27213	6.1
539.30170	3.8
543.29614	3.5
549.28674	3.2
555.29449	3.4
557.31287	3.6
567.29761	10.0
573.30756	21.6
585.30743	84.0
603.23279	3.5
603.31763	84.1
609.32385	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	603.3873
Annotation	UNII-5M144D60TC
Peak:m/z	Relative Intensity
51.05560	0.4
53.03947	0.4
55.05508	1.8
57.03447	0.8
66.17506	0.5
66.90051	0.4
69.03432	0.4
69.07068	1.5
70.35807	1.6
71.08595	0.4
73.21157	0.4
79.05496	3.1
81.03416	0.5
81.07059	3.8
83.04991	0.6
83.08617	1.3
86.60572	0.4
91.05482	2.5
93.07063	3.4
95.04980	0.7
95.08624	3.4
97.10213	0.5
105.07052	2.3
107.05000	0.4
107.08596	2.1
108.08925	0.6
109.06526	0.5
109.10169	1.4
117.06998	0.6
119.08591	1.8
121.10172	1.7
123.08134	0.7
125.09684	0.5
128.06184	0.5
129.06987	1.0
131.08601	0.9
133.10141	1.2
134.10403	0.5
135.08086	0.5
135.11723	0.4
145.10126	1.4
147.08096	0.4
157.10159	0.6
159.11653	1.0
163.11143	0.4
165.09117	0.5
171.11819	0.6
183.11699	0.5
221.15268	0.6
247.34799	0.4
251.12529	3.3
269.10727	0.9
269.13632	12.1
269.16403	0.8
279.85254	0.5
325.16183	2.2
335.25815	0.9
366.55664	0.5
461.41229	0.4
465.55429	0.4
514.94794	0.4
559.35889	0.6
585.37415	6.2
585.44574	0.5
603.38696	100.0
604.39069	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	603.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01875	7.5
55.05519	54.4
57.03432	13.3
57.06833	3.5
57.07082	45.4
67.05515	58.3
69.03442	3.7
69.07072	36.7
71.04991	6.3
71.08649	31.8
71.55654	5.4
72.04534	3.1
73.74203	2.9
75.11272	3.2
79.05504	45.3
81.07069	57.5
83.04987	9.0
83.08636	26.9
85.10194	18.7
89.15544	3.1
91.04971	5.8
91.05494	80.0
93.07056	48.1
95.04970	10.9
95.08627	50.4
95.87925	2.9
97.06527	9.0
97.10154	20.0
99.08130	7.9
103.05492	6.1
105.07043	67.8
107.04940	5.9
107.08611	23.6
109.06514	8.6
109.10181	18.6
110.77423	3.1
115.05453	9.9
116.06248	6.7
117.07037	45.4
119.08593	33.6
121.06495	3.8
121.10149	10.0
123.08059	7.4
123.11711	4.8
125.09628	4.1
128.06233	25.0
129.07004	29.1
130.07793	11.1
131.08582	91.9
133.06471	7.5
133.10138	16.3
135.08078	6.4
135.11696	7.8
137.09579	3.4
141.07014	11.6
142.07770	9.0
143.07495	6.3
143.08582	100.0
144.58099	3.3
145.10141	83.4
145.11284	4.5
147.08064	6.3
147.11679	11.4
149.09576	5.7
150.32719	3.0
155.08527	9.1
157.10173	28.7
159.08022	6.3
159.11697	26.2
161.09612	8.9
161.13271	5.4
163.11174	6.3
166.07864	3.9
169.10136	15.8
171.11671	22.0
172.94037	3.2
173.09677	3.5
177.12808	6.7
180.09386	5.5
180.49443	2.8
181.10031	8.3
183.11732	8.7
185.13293	7.8
186.62544	3.8
187.11197	4.0
189.71040	3.2
195.11746	23.3
201.12729	6.0
209.13261	4.2
211.14969	5.3
227.17987	5.3
237.16431	24.5
241.14287	4.4
245.19128	5.6
255.17458	21.2
273.18503	53.4
275.20056	9.1
291.19440	7.8
293.20972	7.5
311.25790	3.8
313.27405	81.7
319.76425	3.3
329.21039	4.2
335.92520	3.1
347.22253	18.1
349.23804	4.6
577.33252	3.5
585.45319	19.6
589.54248	3.2
603.46515	22.9
603.80743	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	604.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
53.26934	2.7
55.01894	3.4
55.05268	3.0
55.05521	55.7
57.03430	3.1
57.65813	2.6
59.04994	4.3
65.02953	2.4
67.05516	71.7
69.03422	5.5
69.07076	8.0
69.97076	9.4
79.05505	24.0
81.07064	22.1
81.26188	2.7
83.04993	5.1
83.08621	36.0
86.64371	2.6
91.05476	7.2
93.07038	12.4
93.64303	3.1
95.08620	5.9
97.09546	5.2
97.10180	90.6
98.21479	5.1
98.22166	2.5
104.10737	2.8
107.08598	26.8
109.10169	45.5
111.08078	7.1
119.08599	5.8
125.08752	5.4
125.09639	80.5
131.10229	3.0
135.08070	9.2
143.10748	4.4
153.09079	5.6
171.10220	6.6
173.11729	6.1
189.11256	44.8
210.96645	3.0
227.12804	100.0
229.14415	3.3
245.13773	3.8
360.10678	2.6
381.22778	17.2
397.22238	41.3
399.23859	82.2
399.43362	2.7
415.23303	37.6
464.19705	2.7
471.18164	4.1
551.32379	21.4
569.33282	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06665	0.1
53.03947	0.2
55.05542	0.1
58.16593	0.1
60.32798	0.1
64.82362	0.1
67.01866	0.6
68.99464	0.1
68.99774	0.4
69.03424	0.3
69.77199	0.3
79.05515	0.1
81.03443	0.3
81.07060	0.1
85.02924	0.2
87.00835	0.1
91.05473	0.3
95.05014	0.1
95.31998	0.1
97.02894	0.3
97.06547	0.1
99.04462	0.2
105.01846	0.1
109.02876	0.4
119.04955	1.9
121.02886	0.7
127.03934	0.7
129.01837	0.1
145.02853	0.8
145.04909	0.1
145.10030	0.1
149.70889	0.1
153.01843	4.9
159.02968	0.1
163.03928	0.5
166.05852	0.1
171.02908	0.4
173.05887	0.1
187.03943	0.1
197.06062	0.1
203.07074	0.2
213.03847	0.1
225.05508	0.4
229.04933	0.3
229.47145	0.1
231.05118	0.1
243.06514	0.4
247.05998	0.1
271.06036	100.0
272.06329	0.9
519.11487	1.0
561.12317	0.1
587.10364	0.2
605.11407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
57.07075	1.5
61.35288	0.7
65.82742	0.5
66.35365	0.5
67.05505	2.2
69.07070	1.5
70.70391	1.2
70.70769	0.8
71.08634	1.0
79.05489	1.2
80.40223	0.6
81.07070	2.2
91.05489	1.5
93.07027	0.9
95.08620	2.0
105.07043	1.8
107.08604	1.0
112.87123	0.5
119.08590	1.2
120.52187	0.6
121.10139	0.8
131.08551	0.5
133.10187	0.9
137.09677	0.6
154.05389	0.6
205.19292	0.5
216.52037	0.5
223.09531	0.5
243.33585	0.6
275.20145	1.5
313.27438	1.4
341.00891	0.5
349.23541	0.7
352.34253	0.5
388.17920	0.6
400.17102	0.7
401.17627	1.1
402.19016	0.7
413.17816	1.2
414.18661	2.0
415.19464	4.3
416.20117	2.2
417.20908	0.8
428.20334	1.1
429.20895	7.5
430.21570	5.0
431.22397	1.7
443.22531	4.4
444.23535	7.2
445.24203	3.9
456.19775	0.8
457.19406	0.7
457.24496	1.2
458.25299	2.8
459.20950	2.0
459.25769	3.3
471.21933	1.5
472.22714	3.6
473.23447	5.3
474.24387	2.7
485.23364	4.6
486.24371	1.4
487.24951	20.9
488.25864	0.8
489.22787	0.9
503.24561	1.9
517.26123	3.2
531.23676	1.1
532.24115	0.7
545.25494	17.0
545.33557	1.1
546.26239	3.2
573.25140	1.7
577.27875	0.7
592.51459	0.6
605.27625	100.0
606.28070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.03439	1.5
57.07073	1.2
63.08271	0.9
67.05502	4.3
69.07059	3.1
71.54991	1.6
79.05476	2.9
81.07056	6.8
82.68999	1.0
83.08613	1.9
92.96702	1.1
93.07059	1.8
95.08596	4.6
97.10177	1.2
105.07050	1.3
107.08593	1.9
109.10172	2.3
117.07047	1.1
119.08589	1.8
131.08488	1.4
133.10114	1.4
147.47798	1.2
195.61609	1.0
215.14233	1.1
221.08571	1.1
251.12706	1.4
269.13608	9.9
325.16284	4.3
337.27353	1.4
429.21017	1.4
458.24734	1.1
504.38251	1.2
545.25513	8.3
561.37842	2.0
587.39337	4.3
605.28387	3.7
605.40271	100.0
606.40723	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	607.2558
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
67.05512	0.4
68.63789	0.3
69.25684	2.2
70.26081	0.3
71.15325	0.3
71.30910	0.3
79.05486	0.3
81.07075	0.3
91.05515	0.3
93.07072	0.3
95.05020	0.2
119.08601	0.3
138.83995	0.3
197.10851	0.3
223.12486	0.4
225.10223	0.3
286.13171	0.3
326.16940	0.3
373.14645	0.4
374.15555	0.4
375.16156	0.9
376.17639	0.3
387.16162	0.6
388.17102	1.1
389.17673	2.8
390.18317	1.0
391.19315	0.8
401.17999	0.5
402.14398	0.4
402.18893	0.7
403.19586	4.4
404.20184	1.8
405.20776	3.3
415.19785	0.4
416.16422	0.9
417.16348	4.6
417.21359	1.3
418.17136	1.3
418.22592	0.5
419.17841	0.6
419.22507	6.0
420.23062	1.1
430.17978	1.1
431.18396	7.3
432.19156	3.1
433.20181	3.9
434.20663	0.4
443.18835	0.3
445.20181	4.9
446.21091	7.3
447.21808	8.9
447.27655	0.5
448.22980	0.4
449.19711	0.3
459.17215	0.5
459.22986	1.7
460.17978	0.4
460.23343	0.6
461.19519	1.9
462.24713	0.5
462.83447	0.3
463.20959	0.9
463.26331	0.4
473.19766	1.0
473.24805	0.4
474.20505	4.7
475.20990	4.4
477.23447	0.6
478.23874	0.6
487.21304	1.2
490.23901	0.6
491.19888	2.8
501.22949	1.0
504.21442	0.6
505.22470	0.6
506.22885	0.5
519.24158	15.3
520.24567	0.6
529.22778	0.4
533.21857	0.4
547.23450	11.4
548.24127	0.6
551.26733	0.4
561.25183	0.5
579.26129	5.6
589.24554	0.4
607.25580	100.0
608.25928	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	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
58.36505	0.3
71.04564	0.8
71.04912	0.4
140.30591	0.4
172.75204	0.4
185.67795	0.3
193.46713	0.4
328.70322	0.4
349.11011	0.4
387.16245	0.6
388.16843	0.8
389.17685	1.5
401.17987	0.9
402.18555	1.1
403.19281	4.4
404.19995	1.1
405.20782	2.0
415.19553	0.7
416.20193	0.8
417.16669	1.4
417.21536	4.1
418.21912	2.3
419.22366	4.2
421.49612	0.5
430.17502	0.8
431.18140	8.6
431.23636	0.8
432.19537	1.7
432.24066	0.8
433.24207	7.7
434.24725	1.1
445.19907	10.8
446.20825	4.5
447.21848	4.9
459.21475	4.8
460.22513	13.5
461.23438	11.6
473.23297	2.9
474.24026	0.6
477.22684	0.5
487.25064	1.3
488.25638	0.5
491.24933	0.8
492.25275	0.8
505.21616	2.1
506.26779	0.5
515.24414	0.5
518.23157	0.7
519.24097	1.3
519.28510	1.1
532.24799	0.9
547.27094	28.8
548.27765	0.8
575.26581	0.9
607.29175	100.0
608.29529	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	607.2918
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.59862	0.4
92.07986	0.4
126.60243	0.4
136.08717	0.4
159.28732	0.5
256.86014	0.4
388.16891	0.8
389.17670	1.0
402.18344	1.0
403.19247	3.8
404.20325	0.9
405.20764	1.9
415.19489	0.9
416.20444	0.7
417.16025	0.7
417.21320	4.9
418.21628	2.4
419.22495	3.7
420.23175	0.5
430.17282	0.7
430.22232	0.6
431.18234	8.6
432.19312	1.7
432.24292	0.6
433.24097	9.5
434.24692	1.1
443.18854	0.7
445.19711	9.0
446.20779	4.4
447.21555	3.9
459.21692	4.8
460.22598	13.3
461.23416	16.2
473.23373	3.2
474.24261	1.1
487.24966	1.9
488.26123	0.6
491.24631	0.6
492.25653	0.9
505.21725	2.3
506.26831	0.5
519.27539	1.8
532.24799	1.1
533.25690	0.8
547.27087	48.5
548.27490	1.8
575.26508	0.9
579.29834	1.0
607.29181	100.0
608.29639	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	608.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	3.0
70.67136	4.2
78.24418	1.5
85.02906	5.7
97.02920	3.6
98.20714	1.4
98.97578	2.9
101.00875	9.1
110.09664	2.4
110.97598	1.7
113.00880	3.7
119.01933	15.5
124.02390	1.7
127.02446	4.1
127.03947	2.0
131.01918	12.7
133.03502	1.6
138.09174	1.6
139.02481	1.9
142.03506	11.2
143.01924	21.6
145.03476	16.0
145.04616	2.4
155.01901	16.9
157.03497	5.5
157.66737	1.6
160.04604	12.3
161.02975	18.4
167.01917	12.5
169.03444	3.6
171.05029	3.6
173.02989	16.6
175.04510	2.2
178.07227	4.7
179.01903	4.4
182.06824	1.9
184.04622	1.7
185.02968	37.0
185.66629	1.5
186.09784	11.3
187.04469	4.2
194.06700	2.2
196.08228	28.2
197.03020	15.6
197.11385	1.9
198.06204	2.5
203.04044	9.2
204.10843	5.4
208.04529	2.6
209.03018	1.9
210.06245	1.9
212.07748	2.1
214.09227	15.9
215.04036	6.9
220.08197	62.9
222.06140	3.4
224.07703	5.0
227.04111	7.4
230.08905	2.0
232.08185	13.5
234.09827	2.0
238.09262	100.0
240.07240	3.9
241.10338	2.0
245.05103	72.2
246.05276	2.0
246.09860	2.1
247.04883	2.3
250.09277	35.9
256.10309	2.4
257.05173	4.4
261.10706	2.7
262.09290	11.4
263.06149	7.9
264.07230	20.7
264.10599	2.9
274.09277	8.2
275.06253	8.9
276.07169	5.5
280.10318	12.4
282.08270	24.0
284.06238	2.7
285.09335	4.7
292.10391	8.9
294.08163	9.5
304.10251	2.8
305.07208	5.2
310.31726	1.9
312.09326	3.0
322.11356	10.6
324.09283	21.1
326.07187	5.5
335.08099	3.2
340.12341	2.3
348.09326	3.0
365.09277	6.1
366.10391	31.3
384.11444	54.3
385.11646	2.7
386.01843	1.9
410.09296	3.2
428.10181	4.1
446.11386	4.6
546.16785	21.4
547.16711	1.9
590.16016	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.182
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.51789	0.1
57.03436	0.5
70.00632	0.2
70.01031	0.1
71.05000	3.6
82.49544	0.1
85.02913	3.8
111.04406	0.1
111.87251	0.1
129.05495	0.8
147.06511	0.1
149.05928	0.1
153.01837	0.6
175.03873	0.2
229.04950	0.2
240.87999	0.1
258.05264	10.9
259.05750	0.1
286.04739	34.9
287.05139	0.4
301.07080	100.0
302.07434	1.5
447.13025	0.1
463.12405	14.4
464.12915	0.3
609.18134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.1
57.03439	0.6
69.43549	0.4
71.04994	3.9
75.04450	0.2
85.02906	4.6
86.12882	0.1
111.04401	0.1
129.05484	1.1
147.06502	0.2
149.05919	0.1
151.03874	0.1
153.01817	0.8
184.08305	0.1
229.04950	0.2
258.05237	9.8
259.05536	0.1
286.04712	31.7
287.05130	0.3
301.07053	100.0
302.07431	1.6
423.54053	0.1
463.12350	15.2
464.12701	0.2
546.65619	0.1
609.18201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1813
Annotation	Neodiosmin
Peak:m/z	Relative Intensity
55.43918	0.1
60.04528	0.2
67.05493	0.2
69.03436	0.2
69.94774	0.8
70.06602	1.2
72.08167	0.4
79.05479	0.2
81.03398	0.5
84.04488	0.5
84.08142	1.6
85.02902	0.2
86.09693	0.6
88.03991	0.3
91.05479	0.7
93.07045	0.2
95.04978	0.2
96.33935	0.2
97.02866	0.2
98.97549	0.2
101.07088	0.2
115.08638	0.1
116.07069	0.2
121.02949	0.2
128.01918	0.2
129.10228	1.0
134.03651	0.3
136.07584	2.1
136.74135	0.2
137.02339	0.2
153.01816	0.9
157.10110	0.2
167.03392	0.4
170.02058	0.2
174.76317	0.2
183.14940	0.2
208.28201	0.1
213.05342	0.2
229.05028	0.4
235.23293	0.2
258.05267	4.5
269.04425	0.6
270.05194	1.0
285.03958	1.9
285.07584	2.7
286.04730	29.4
287.05035	0.4
294.15421	0.2
300.06110	0.2
301.07074	100.0
302.07339	1.3
309.16986	0.2
447.09274	0.5
463.12549	0.2
513.29388	0.2
609.18054	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	609.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24235	8.1
70.06610	1.6
76.43472	0.9
84.03011	2.3
84.79708	0.9
87.90733	1.0
98.04576	1.9
98.21499	2.8
101.00880	7.0
102.04014	1.0
108.02998	1.1
110.04610	1.3
113.00834	1.1
116.05607	2.4
118.03542	1.5
119.01919	5.0
123.04057	1.5
124.02491	3.0
126.04029	13.5
127.02486	1.1
127.07217	4.6
128.05571	4.8
130.07169	3.6
131.01949	2.7
132.05069	1.7
134.06609	1.4
137.10735	1.3
141.05090	3.9
142.03494	9.5
143.01891	8.6
143.06686	1.7
144.05075	20.7
145.03461	3.4
154.07051	5.1
155.01936	5.3
155.10323	2.4
156.05022	4.8
157.03470	3.5
160.04593	3.3
161.02936	5.6
166.03534	1.5
167.01949	4.3
168.05017	1.4
168.08868	1.3
169.03464	1.4
169.04723	1.1
170.06662	2.9
172.08208	18.1
173.03049	5.7
177.08774	2.1
179.01849	2.0
179.10303	28.4
182.06639	2.7
184.04642	2.2
184.08237	2.7
185.03003	12.5
186.09804	2.2
187.05852	1.4
190.09274	3.7
193.08267	3.0
195.09814	24.9
196.08252	3.3
197.03017	3.4
197.11365	35.4
198.06142	4.3
199.93541	1.0
200.07722	4.0
203.04025	2.8
204.10846	1.2
211.09192	1.8
213.10873	22.7
214.09215	1.5
215.03958	1.8
215.12421	9.7
216.07077	2.3
223.09273	6.5
226.05687	1.4
227.04012	2.6
230.05125	4.7
240.07195	1.4
241.10342	61.8
245.05115	25.5
245.07362	0.8
249.07280	1.3
257.05081	1.8
258.08289	3.8
259.08795	0.8
259.11407	22.6
263.06158	2.7
267.08203	6.0
272.06107	3.8
275.06104	2.3
283.11484	3.1
285.09329	100.0
286.09882	1.5
300.09409	4.6
303.10364	11.6
305.07260	5.0
306.04822	1.1
308.10999	1.7
314.07208	3.8
318.10419	4.1
327.10382	82.8
328.10721	2.6
332.08231	3.0
339.10443	11.0
351.10281	4.0
357.11414	10.3
365.09546	3.8
367.13773	1.2
369.11432	1.9
381.11514	3.6
387.12518	29.3
411.12390	4.8
429.13562	26.3
447.14633	26.7
480.15546	11.5
494.13788	1.9
523.71161	1.0
583.62708	1.0
609.19836	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	609.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01033	0.6
69.03433	0.7
70.06588	0.9
71.53624	0.6
81.31750	0.6
82.01432	0.8
84.03018	1.6
86.00901	1.0
100.02491	1.4
101.00901	3.4
102.04013	1.6
106.36542	0.6
108.08096	1.6
110.04524	0.8
112.02474	1.7
114.04003	1.6
114.78902	0.7
115.02399	0.8
116.05573	4.1
118.03511	2.0
119.01938	5.7
120.40303	0.8
123.04076	1.6
124.02444	1.6
126.04028	11.0
127.02425	1.5
127.07188	3.6
128.05579	3.0
129.03952	0.9
130.03497	1.6
130.07162	1.2
131.01912	1.9
132.05064	1.6
134.06673	0.9
136.04599	1.0
137.10747	1.7
141.05077	2.7
142.03508	10.8
143.01920	8.2
144.05077	22.7
145.03477	4.0
145.08244	1.1
146.06609	2.1
148.08182	1.9
154.07147	2.6
155.01912	4.8
155.10347	1.9
156.05061	2.9
157.03461	1.9
158.06645	1.0
159.06177	1.0
160.04616	4.7
161.02930	4.4
167.01913	4.2
168.08691	0.8
169.03421	1.4
169.04715	0.9
169.11844	1.2
170.06657	2.0
171.09708	1.0
172.08202	15.2
173.02954	5.3
174.06088	1.5
177.08673	1.8
179.01947	1.2
179.10303	23.2
182.06642	2.3
184.04495	1.4
184.08183	2.1
185.02963	11.1
186.06154	1.1
186.09778	2.3
187.05699	2.1
188.07703	0.9
190.09290	4.7
193.08209	2.8
195.09807	20.1
195.11589	1.0
196.08197	2.6
197.03035	3.8
197.11369	28.0
197.13202	1.5
198.06126	3.5
200.07681	4.0
203.04001	2.7
204.10777	1.8
210.06224	1.1
211.09131	1.6
212.04059	1.6
213.10870	22.4
214.09183	1.6
215.04033	2.8
215.12427	9.4
216.07217	2.6
221.04979	0.8
223.09241	6.7
226.05620	0.9
227.03998	2.8
230.05191	3.5
239.08739	2.0
240.07143	1.0
241.10347	63.0
245.05084	26.0
249.07098	1.3
257.05060	1.1
258.08194	4.0
259.11423	26.7
263.06192	2.0
264.11780	1.3
267.08160	6.4
272.06146	2.6
275.06195	2.1
283.11322	4.2
285.09323	100.0
286.09747	1.0
300.09286	6.3
302.07205	1.0
303.10352	11.1
305.07120	4.3
308.11020	0.9
309.09302	1.6
314.07196	4.0
318.10355	4.2
327.10385	76.7
328.10461	1.0
332.08313	3.8
335.08176	1.3
339.10379	9.4
351.10349	3.4
357.11469	9.2
363.10635	0.9
365.09689	4.0
369.11420	2.1
374.09256	1.3
381.11411	2.5
385.14554	1.2
387.12497	24.6
399.12350	0.8
411.12592	5.8
412.11047	0.8
429.13599	22.4
447.14691	23.3
480.15591	10.9
494.13562	2.1
519.16803	0.8
609.19861	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.29198	0.5
53.65068	0.4
55.05521	0.7
57.03416	0.5
58.26448	0.4
67.05492	1.5
67.47996	0.5
69.07077	0.6
69.18586	2.9
69.19011	1.8
78.55653	0.5
79.05475	1.4
81.07065	1.5
87.02290	0.4
90.44611	0.5
91.05471	1.3
93.07071	1.5
95.08628	0.9
105.07037	0.9
107.08601	0.9
112.06182	0.5
112.81363	0.6
119.08569	0.8
120.83099	0.5
132.98924	0.5
145.10149	0.9
147.11703	0.7
159.78215	0.5
221.10817	0.5
223.12321	0.6
225.13995	0.5
239.15303	0.5
275.20126	1.1
376.17310	0.8
377.17816	0.9
389.18585	0.9
390.19009	0.7
391.19257	2.2
392.20093	1.3
401.17664	0.9
403.19598	0.6
404.20728	1.0
405.21130	3.0
406.21591	2.3
407.22333	4.6
413.17841	0.8
415.19345	2.1
416.19928	0.9
419.18573	1.4
419.23111	1.1
420.23120	1.3
421.23959	5.1
427.19257	1.1
428.19870	0.8
429.21222	2.2
430.21802	1.2
433.20282	1.7
442.21710	1.4
443.22522	1.1
444.23264	1.3
445.20331	1.6
447.17316	2.5
448.18466	0.6
449.23587	1.2
451.20770	0.5
452.22174	0.7
457.24268	2.5
458.25000	0.6
459.22018	1.8
460.22870	1.6
461.19028	4.8
462.20361	2.5
463.21402	1.6
472.22632	0.7
474.20718	0.8
475.20883	7.4
476.21899	8.3
477.22540	5.4
478.23654	0.9
479.24591	1.0
485.23645	9.4
486.19980	3.4
487.25464	0.9
489.22943	6.2
491.24420	0.6
493.22144	0.7
493.26236	0.5
494.26593	1.1
497.23285	0.8
499.21362	2.7
500.22302	1.5
502.23489	0.7
503.24582	6.6
504.24738	1.6
507.24338	0.7
513.22943	2.0
515.24396	8.5
517.22174	1.2
521.26300	3.3
531.23920	17.7
532.24640	0.7
541.22882	0.6
548.24292	1.1
549.24695	2.9
550.25964	3.9
559.23376	7.7
577.24579	0.9
591.26050	37.7
592.26477	0.8
594.24487	0.6
609.27087	100.0
609.44287	2.3
610.27496	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	609.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05510	0.8
67.05508	3.0
69.07068	0.9
75.88573	0.3
79.05083	0.3
79.05489	1.9
81.07050	2.7
83.08625	0.6
91.05492	2.1
93.07055	2.1
95.04964	1.0
95.08625	1.9
99.11038	0.3
105.07046	1.4
107.08603	1.6
109.10152	1.1
117.06989	0.7
119.08593	1.0
121.10141	0.5
122.70252	0.3
127.70232	0.3
129.07027	0.7
131.08574	1.4
131.58517	0.3
133.10175	0.6
135.11737	0.5
143.08542	0.6
145.10143	1.3
147.11668	0.5
157.10138	0.7
159.09099	0.4
159.11731	1.0
171.11601	0.4
173.13269	0.5
211.12300	0.5
219.17491	0.5
223.12370	0.3
229.39610	0.4
233.10750	0.4
237.13976	0.4
244.64545	0.5
251.15599	0.4
257.19086	0.5
275.20129	1.0
313.35522	0.3
376.17340	0.7
377.17700	1.1
378.19131	0.5
388.18213	0.5
389.18134	1.1
390.18726	1.0
391.18958	1.7
392.20255	1.1
402.18726	0.4
403.19778	0.7
404.20462	1.2
405.16675	0.3
405.21005	2.9
406.21484	1.9
407.22406	3.0
413.17560	0.6
414.18024	0.7
415.19156	1.9
417.21289	0.6
418.21719	0.6
419.18414	1.3
419.22705	1.2
420.23233	0.7
421.23926	3.3
422.24673	1.0
429.20834	1.7
430.22119	0.8
431.18542	0.5
432.19482	0.5
433.20197	2.5
434.25159	0.5
442.21875	0.5
443.22849	0.6
444.23587	0.8
445.20551	1.7
447.17197	1.9
449.23532	1.0
457.24661	1.7
459.22174	2.1
460.22998	1.1
461.19162	5.4
462.20584	2.3
463.20941	1.7
465.23306	0.6
471.17661	0.4
472.22531	0.8
473.19519	0.8
474.20682	1.3
475.21063	8.2
476.21933	5.8
477.22629	5.0
478.23431	0.9
479.24612	0.6
483.18771	0.5
484.18707	0.5
485.23627	4.9
486.20337	2.4
487.20798	0.5
488.21881	0.9
489.23047	4.2
493.22141	0.6
499.21402	3.1
500.22037	1.2
502.23996	0.7
503.24567	6.7
504.21906	1.3
505.22418	0.7
507.24420	0.5
513.22821	1.4
515.24445	6.6
517.22443	1.8
521.25903	3.0
531.24030	8.1
535.23499	1.1
541.22150	0.6
549.25140	1.7
550.25800	4.1
559.23480	4.3
563.26434	1.4
577.24414	2.1
591.16461	0.9
591.26007	14.6
609.27087	100.0
609.44739	3.9
610.27380	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	609.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82016	2.0
53.03952	11.9
53.62786	2.0
55.01885	10.5
55.05516	33.6
56.96563	2.1
57.03444	16.8
61.02936	4.0
65.03944	6.2
67.05514	61.7
69.03436	24.0
69.07070	15.8
69.60752	5.6
69.61166	8.0
69.84379	2.1
70.06595	4.5
71.01360	4.9
71.04998	11.5
73.02942	3.4
79.05500	64.4
81.03423	100.0
81.07070	45.6
83.04995	26.3
83.08636	20.7
85.02921	19.5
85.06563	4.3
91.05486	48.2
91.06012	3.9
93.07053	61.7
93.07629	3.7
95.04984	31.1
95.05578	3.4
95.08618	18.9
97.02924	18.5
97.06544	14.7
97.10191	14.1
99.04448	7.2
99.08134	2.3
105.07039	24.3
107.04967	12.6
107.08611	25.7
109.02889	20.0
109.06538	10.7
109.10170	12.2
111.04456	17.2
111.08130	7.4
115.05494	6.2
117.07026	10.9
119.04965	3.6
119.08593	18.7
121.06537	8.3
121.10132	13.2
123.08109	5.9
123.11764	3.9
125.09652	6.1
127.03934	12.1
128.06346	2.1
129.05547	2.8
129.06985	10.9
130.54230	2.0
131.04921	2.4
131.08614	12.4
133.06520	4.3
133.10141	14.7
135.04424	2.5
135.08072	4.6
135.11713	35.0
137.09619	2.7
141.07002	4.8
142.07753	3.4
143.08598	4.3
145.06424	4.3
145.10139	12.8
147.04459	4.0
147.08092	5.3
147.11671	11.9
149.09663	8.6
153.12762	5.1
157.10133	11.8
159.11748	3.7
161.05954	2.9
161.09676	3.0
163.03935	3.6
163.11220	13.2
167.07114	7.7
167.08614	2.7
169.10068	3.1
171.11765	2.8
173.04536	2.9
173.06036	2.2
173.09680	3.1
173.13205	2.0
175.11192	10.5
177.05510	3.0
178.37183	2.1
181.05096	3.4
181.10834	2.0
181.12291	13.5
185.13356	2.4
189.11302	3.4
191.07076	3.6
191.10680	6.7
193.12262	29.8
211.13295	51.9
215.07048	2.2
227.12883	9.7
229.14330	4.1
249.14998	3.5
255.15962	11.4
258.05307	2.7
267.16006	6.5
283.15381	4.4
285.16992	3.3
286.04761	8.4
301.07123	15.7
322.13470	2.4
325.16400	5.4
337.16980	3.6
345.24445	2.4
355.17499	10.4
355.22290	5.6
373.24030	2.3
381.19589	2.3
384.87082	2.6
411.20175	5.3
429.26718	4.8
447.27408	30.2
465.28461	15.0
471.27286	2.8
550.99750	2.6
577.20477	7.5
591.31927	6.4
609.23431	12.1
609.32794	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4518
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03942	2.0
55.01879	1.6
55.05517	12.8
55.63536	0.8
57.03432	3.9
57.07082	2.3
60.57766	0.8
64.29719	0.9
65.03951	1.3
67.05513	28.2
69.06721	1.3
69.07075	12.4
71.04994	2.1
71.08632	1.0
71.55816	1.5
71.56184	0.9
79.05502	17.4
81.03405	1.0
81.07064	25.3
83.05014	1.1
83.08642	6.1
85.06556	3.2
91.05491	17.1
93.07057	19.9
95.04980	1.8
95.08615	20.9
97.06524	2.4
97.10179	3.2
99.08109	1.1
105.06377	1.7
105.07040	18.1
107.08611	12.9
109.10168	10.0
111.08105	1.5
115.05486	2.7
117.07019	9.2
119.08584	16.0
121.10163	8.2
123.08073	1.0
123.11765	1.8
125.09634	1.4
128.06229	1.9
129.07014	11.6
130.07835	1.5
131.08589	17.2
133.10147	10.4
135.11726	4.2
139.26202	1.0
141.06981	4.7
142.07811	2.1
143.08568	14.1
144.09341	1.1
145.10135	15.7
147.11697	7.3
149.13280	3.1
153.07034	1.3
154.07809	1.7
155.08549	11.4
156.09351	1.7
157.10127	14.4
159.11716	10.3
161.13277	5.1
163.11201	1.7
163.14966	1.5
167.08586	4.4
168.09384	1.6
169.10139	15.2
170.10915	1.2
171.11723	10.1
173.13252	5.2
175.14886	2.6
179.08556	1.7
181.10156	7.5
182.10983	1.8
183.11710	15.0
185.13264	8.3
187.14851	3.6
193.10222	3.0
195.11717	7.3
197.13313	12.0
199.14856	5.7
201.16516	1.2
203.18039	1.5
207.11717	2.6
209.13254	8.0
211.14845	6.1
213.16476	4.0
215.18021	1.1
219.11722	2.1
221.13332	3.3
223.14867	5.4
225.16382	4.8
227.18114	1.6
229.19662	1.6
235.14891	2.4
237.16376	4.9
239.18022	3.6
245.19092	1.3
249.16391	2.0
251.18019	2.9
255.21291	1.2
257.19138	2.8
261.22073	1.5
265.19559	2.2
271.20712	1.2
273.22031	1.1
275.20062	4.5
290.08902	1.0
301.07019	1.9
305.22617	1.3
313.21686	1.1
323.23828	1.8
337.25394	1.6
341.25177	1.1
347.23715	0.9
349.25571	1.3
351.27039	1.6
365.24350	1.1
365.28711	2.3
383.29327	1.3
433.30774	1.1
447.32755	1.4
499.39395	1.9
501.75421	1.1
517.40485	13.2
525.36200	1.2
535.41821	6.7
539.37036	2.1
573.43964	1.2
591.44275	14.4
609.45215	100.0
610.45380	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	609.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.7
51.02359	1.0
53.03946	3.9
55.01871	2.8
55.05515	12.9
57.03441	8.7
57.07046	1.6
57.52261	0.4
65.03948	3.0
67.05510	41.7
69.03416	1.2
69.07076	11.5
71.04958	1.5
71.08607	0.4
73.39911	0.4
77.03909	1.2
79.05499	42.0
81.03382	1.9
81.07063	38.9
83.04980	3.4
83.08624	4.6
84.31984	0.5
84.80513	0.5
85.06551	4.0
88.51444	0.4
91.05487	44.7
92.05800	0.6
93.07053	45.1
95.01305	0.7
95.04440	0.6
95.04980	5.9
95.08616	26.1
97.06526	4.1
97.10167	2.6
98.21573	1.1
99.04476	2.9
99.08064	0.9
103.05428	1.6
105.04491	1.8
105.07038	34.6
107.04966	5.1
107.08602	20.3
109.06528	5.3
109.09485	0.5
109.10171	8.3
111.08090	2.6
113.09639	0.6
113.19807	0.5
115.05434	1.6
117.06241	0.7
117.07027	11.9
119.08594	23.7
121.06482	2.1
121.10149	15.0
123.08064	2.8
123.11701	1.5
125.09597	0.9
128.06200	0.9
129.07034	4.0
131.08575	20.9
133.10141	18.5
135.08057	3.7
135.11702	10.0
137.09602	2.2
141.06998	0.8
142.07828	0.6
143.08575	2.9
143.43837	0.5
144.09315	0.6
145.10129	13.5
147.08052	0.8
147.11693	8.2
149.09605	3.0
149.13303	2.4
151.11182	0.9
153.12727	1.9
155.08612	0.7
157.10149	2.7
159.11697	8.3
161.09628	0.5
161.13275	3.4
163.11143	1.4
163.14835	0.8
169.10170	0.8
171.11678	1.7
173.13287	4.2
175.14813	2.0
177.12744	1.2
179.14302	2.1
183.11691	1.3
185.13290	3.2
187.11241	0.8
187.14809	0.7
191.14343	0.8
195.09793	0.5
197.13251	1.4
199.14801	0.8
201.12869	0.6
201.16399	6.4
203.14340	3.9
209.15393	1.3
214.04510	0.4
217.15918	0.7
219.17456	100.0
229.19427	1.0
239.17929	1.5
243.21191	0.7
247.20706	0.8
257.19028	4.1
261.22165	1.5
275.20093	28.0
293.21112	1.7
331.22638	0.6
335.25885	0.7
349.23819	1.6
408.22296	0.5
423.73569	0.5
505.35001	4.8
543.40631	1.0
609.45251	35.9
610.45416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.39768	0.1
62.19801	0.1
62.28684	0.1
67.01863	0.3
70.06580	0.1
70.68242	0.3
70.68613	0.2
89.03941	0.1
97.02850	0.1
98.97556	0.1
135.04411	0.9
137.02330	0.4
151.03871	0.2
153.01840	2.7
161.02307	0.2
171.02859	0.3
179.03339	0.2
200.02727	0.1
200.25655	0.1
203.03453	0.1
211.53230	0.1
241.04942	0.3
269.04404	0.3
281.09305	0.1
287.05487	100.0
288.05850	1.2
295.95816	0.1
317.19736	0.1
384.39346	0.1
449.10788	14.5
611.15912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44461	0.1
67.01834	0.4
67.05478	0.1
68.69102	0.1
68.99786	0.3
69.03397	0.5
70.06605	0.2
79.05498	0.1
80.76824	0.1
81.03410	0.3
81.20976	0.1
85.02914	0.5
91.05507	0.2
92.47568	0.1
93.07020	0.1
96.27386	0.1
97.02853	0.3
98.20746	0.2
105.07030	0.3
109.02847	0.2
111.04464	0.1
117.03382	0.1
117.07059	0.1
119.08569	0.3
121.02862	0.2
127.03859	0.3
129.01817	0.1
131.08559	0.3
133.10172	0.1
135.04434	1.2
137.02287	0.4
143.08517	0.2
145.10048	0.1
153.01843	3.3
158.10916	0.3
161.02373	0.4
163.03822	0.1
166.99091	0.1
171.02884	0.3
173.13313	0.9
179.03416	0.2
191.14282	0.4
193.10294	0.1
203.03421	0.2
213.05467	0.1
241.04936	0.3
245.04245	0.1
269.04361	0.3
286.04730	0.2
287.05527	100.0
288.05823	1.4
345.25815	0.2
401.10477	0.2
449.10855	37.4
450.11215	0.7
611.15784	1.0
611.31982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01875	1.8
55.05519	21.3
57.03452	6.4
57.07086	2.8
65.03943	1.5
65.14837	1.2
65.43019	1.2
67.05513	46.1
69.07076	18.6
71.04999	2.6
71.28712	2.4
74.09723	5.5
79.05505	36.0
81.07063	43.4
83.05000	2.7
83.08624	9.8
84.09206	1.2
85.06557	2.8
91.05489	31.2
91.65118	1.3
93.07057	41.7
95.04967	2.9
95.08615	37.3
97.06557	2.8
97.10190	4.4
99.08055	1.4
105.07049	37.7
107.08604	25.4
109.10178	16.5
111.08083	2.3
117.07022	15.7
119.08588	32.0
121.10138	18.9
121.85852	1.3
123.11731	6.0
123.96976	1.2
125.09698	1.9
128.06277	2.6
129.07008	10.0
130.07770	1.6
131.08575	24.8
133.10136	28.8
135.11714	13.3
137.13245	1.8
141.07014	3.8
142.07811	2.4
143.08569	11.8
145.10143	24.2
147.11697	20.0
149.13316	7.1
155.08600	6.6
157.10176	12.3
159.11710	17.9
161.13263	12.1
163.14833	3.0
167.08598	1.6
169.10127	6.8
171.11725	11.0
173.13271	16.7
175.14871	4.7
181.10168	2.6
183.11690	7.3
185.13304	11.0
187.14857	7.2
189.16399	1.5
195.11804	3.4
197.13297	5.9
199.14792	8.0
201.16418	3.7
203.18089	2.3
209.13312	3.5
211.14908	3.6
213.16396	3.9
215.17967	2.5
219.17633	1.6
223.14787	2.2
227.18016	2.2
231.21086	2.2
233.19165	1.4
239.18027	1.4
241.19632	8.6
243.21066	1.7
257.19046	6.1
259.20609	23.0
261.22198	4.5
299.23529	1.6
311.23523	1.9
311.58167	1.5
315.23318	2.5
315.44794	1.3
333.24307	13.0
335.25848	19.2
337.27292	2.0
501.41183	2.0
515.38208	1.8
519.42102	8.7
537.42761	2.6
541.38971	2.8
593.45978	8.4
611.46753	100.0
612.47546	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	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.1
53.03950	3.9
55.01886	1.7
55.05520	20.1
56.89799	0.9
57.03441	6.9
57.07069	3.8
60.62921	0.9
65.03941	3.5
67.05512	49.1
69.07076	19.5
71.01080	1.6
71.01389	1.2
71.04994	2.3
71.08633	1.2
75.53510	1.0
79.05500	37.8
80.05854	1.0
81.03436	1.7
81.07066	50.1
83.04993	2.5
83.08622	9.3
85.06560	2.2
91.05486	34.7
93.07052	40.9
95.04988	2.7
95.08615	42.9
97.06543	3.9
97.07128	1.1
97.10176	4.4
99.08136	1.2
103.05475	1.5
105.07043	30.6
107.08607	23.8
109.06530	1.3
109.10172	15.5
111.08095	1.8
115.05428	1.4
116.06201	1.5
117.07035	14.6
119.08590	32.4
121.10157	19.1
123.11722	6.1
123.74243	1.1
125.09673	2.0
128.06264	2.6
129.05573	1.6
129.07030	7.7
130.07822	2.2
131.08580	27.7
133.10139	23.5
133.11089	1.6
135.11717	15.1
137.09581	1.5
137.13243	2.1
141.07024	3.0
142.07791	1.9
143.08566	13.6
145.10132	23.9
146.10934	1.2
147.11703	20.5
147.12790	1.6
149.09677	1.2
149.13298	7.3
151.11310	1.0
154.07803	1.0
154.10362	1.0
155.08603	6.2
157.10136	14.2
157.11299	1.4
159.11705	18.4
161.13298	10.7
163.14853	2.6
167.08594	1.3
169.10152	9.2
171.11696	13.4
173.13277	13.3
175.14838	6.4
181.10199	3.7
182.10959	1.2
183.11749	6.6
183.13174	1.0
185.13249	9.8
187.14853	6.3
195.11731	2.8
197.13313	4.2
199.14885	7.5
201.16435	4.0
209.13266	3.2
211.14925	4.3
213.16443	3.7
215.18002	2.8
217.19618	1.7
223.14917	2.0
225.16476	1.7
227.18172	2.2
229.19655	1.2
231.21184	1.3
237.16475	2.3
239.18031	2.4
241.19652	6.8
243.21172	2.3
257.19028	4.8
259.20599	17.8
261.22287	4.0
267.16089	1.4
271.20715	1.0
273.22144	1.1
275.20309	1.1
277.21777	1.7
285.22357	1.5
295.42786	1.0
299.23773	1.5
315.23300	1.4
317.24924	1.6
325.25476	1.9
331.22903	1.1
333.24207	11.8
335.25894	20.1
337.27267	1.2
353.28470	2.1
515.36951	1.3
519.41870	8.3
521.32574	4.2
527.37457	2.7
537.43115	3.8
541.38568	1.5
593.26031	1.3
593.45721	7.6
611.27496	4.5
611.46759	100.0
612.47192	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01871	2.0
55.05514	16.9
57.03449	5.0
57.07083	4.1
64.07847	1.0
65.03945	1.8
67.05510	31.1
69.07075	11.2
70.79144	1.0
70.87008	0.9
71.05003	1.5
71.08623	2.2
71.55774	1.2
79.05500	21.1
81.03409	2.1
81.07061	31.5
81.07523	2.1
83.05012	2.2
83.08622	8.1
85.06539	1.3
91.05473	18.7
93.07047	21.6
95.04984	3.4
95.08613	21.2
97.06573	2.9
97.10194	3.6
105.07034	18.6
107.08596	12.6
109.06544	1.7
109.10168	11.7
111.08115	1.3
111.33326	1.3
115.05444	1.2
116.55511	1.1
117.07018	9.0
119.08588	15.9
121.10164	8.2
123.08123	1.2
123.11734	3.2
128.06259	2.7
129.07005	9.0
131.08572	17.7
131.09474	1.2
131.65666	1.0
133.10106	10.4
135.08109	1.2
135.11673	5.5
137.13365	1.4
139.11304	1.0
141.07045	2.6
142.07869	1.6
143.08556	11.7
144.09413	1.4
145.10144	17.2
147.04459	1.2
147.11688	6.8
148.67807	1.1
149.13315	3.0
151.11182	1.5
155.08546	10.0
155.09479	0.9
157.10117	11.9
159.11719	12.1
161.13290	5.1
163.14894	1.4
167.08594	4.4
169.10086	7.3
171.11717	9.9
173.12024	1.6
173.13278	7.5
175.14856	1.9
177.16516	1.3
181.10190	2.9
183.11679	6.3
185.13214	8.1
187.14792	5.3
189.16428	1.5
195.11783	4.0
197.13281	5.9
199.13283	1.8
199.14951	5.3
201.16519	3.1
204.18510	1.0
209.13365	3.4
211.14803	4.9
213.16463	3.7
215.18080	2.6
221.13504	1.5
223.14934	2.1
225.16467	2.1
227.18158	1.9
229.19595	2.9
233.30879	1.2
235.14871	1.2
237.16486	1.3
239.18170	2.9
241.19667	1.9
243.21053	1.1
251.18111	1.4
253.19672	1.7
255.21193	2.8
257.19269	1.6
275.20233	3.2
277.21692	2.5
285.22324	1.4
325.25305	1.4
339.26996	1.3
344.67804	1.3
353.28699	1.8
431.93350	1.2
501.41428	1.9
513.35889	1.7
519.42096	9.2
523.38373	1.4
537.43225	5.0
541.39185	1.7
575.44617	1.3
588.08978	1.1
593.45715	11.9
611.46899	100.0
612.47058	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	612.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.0
55.01860	0.8
56.74707	0.8
57.03438	24.9
69.03432	1.7
70.06579	1.7
70.11599	2.6
71.01355	1.9
75.04478	9.2
81.03407	1.5
81.11689	0.7
85.02896	3.5
91.05470	2.1
93.05519	9.0
97.02883	1.7
97.13126	0.7
97.37283	0.7
98.20776	0.7
98.97556	1.0
99.00819	27.2
103.05403	0.8
107.04942	5.6
110.07137	0.6
117.01854	3.3
119.04221	0.7
119.04974	4.7
121.02858	1.8
121.06548	1.2
123.04405	1.6
137.05986	0.8
145.04971	0.9
145.06441	1.1
147.04390	1.6
149.05983	3.1
152.29527	0.8
153.06943	1.2
155.08507	2.0
165.07001	7.9
173.04460	100.0
177.05408	1.9
179.08620	1.2
181.06444	0.9
182.07291	0.8
183.08052	12.4
189.05464	1.9
189.07057	1.0
193.06412	1.1
207.08083	3.8
211.07547	18.5
225.09160	1.0
228.07805	8.5
234.06757	1.5
235.07553	11.3
242.09467	1.1
243.10194	19.9
252.07843	1.5
262.06241	2.2
263.07053	7.1
264.07742	1.1
267.10184	5.0
277.08618	2.6
287.05426	4.1
288.05807	5.0
291.08945	1.1
292.07196	0.9
295.09659	12.5
305.08105	2.4
308.06705	1.1
323.09143	12.8
341.10135	1.7
397.12866	19.6
415.13907	3.8
612.47614	0.9
624.94641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
57.07068	1.7
57.40786	0.5
58.95246	0.6
60.06722	0.5
64.24621	0.5
67.05512	2.7
71.08626	1.2
71.55728	0.7
79.05505	0.7
81.03432	0.6
81.07047	1.9
83.08611	1.1
87.04445	0.6
91.05469	1.1
95.08601	1.6
98.98460	2.0
105.07035	0.7
109.10137	1.1
117.07020	0.7
118.06554	4.2
125.00011	6.0
132.08076	1.6
133.08919	0.6
144.08098	12.1
145.10120	1.0
146.09685	1.4
157.10168	0.6
158.09674	5.2
159.10420	2.9
159.11667	1.0
162.09111	3.0
172.11185	3.4
176.10693	1.5
176.14357	23.3
186.12738	0.6
190.12271	0.8
190.43187	0.5
202.15926	100.0
203.16223	0.8
210.58940	0.6
220.16985	93.7
221.17311	1.0
224.68686	0.5
278.28012	0.5
300.13626	65.6
306.36340	0.6
315.45389	0.6
374.17255	0.6
490.01642	0.7
594.39191	6.6
612.40210	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	612.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88204	4.6
53.03944	7.6
53.80901	4.4
55.05510	31.8
57.03434	21.2
57.07074	5.6
61.11970	4.7
67.05508	100.0
69.07069	25.8
70.79221	13.6
71.04980	4.3
79.05498	60.3
80.05833	4.6
81.03420	73.7
81.06590	5.4
81.07061	87.7
82.07401	7.0
83.04977	9.1
83.08634	23.4
91.05492	60.4
91.49932	5.0
93.07055	67.3
95.04983	33.9
95.08621	61.0
96.08936	7.0
97.06522	6.7
97.10176	7.3
105.07024	50.2
107.08604	34.7
108.08907	5.2
109.06508	7.8
109.10146	30.2
111.08058	7.8
115.05461	4.8
117.07026	15.5
119.08598	37.1
120.08875	7.4
121.10160	28.5
122.10485	6.2
123.11686	9.0
129.07034	15.4
131.08575	36.8
132.08926	6.1
133.10132	22.0
135.11705	20.7
143.08525	11.2
145.10132	28.4
147.11700	21.3
149.13284	10.7
157.10170	18.4
159.11690	20.6
161.13251	14.8
171.11707	9.9
173.13306	15.2
175.11229	10.7
183.11711	6.1
185.13448	6.2
189.11208	6.1
193.12271	19.0
241.19638	5.3
243.21152	8.7
259.20493	6.2
261.22119	16.3
267.15900	83.0
327.16583	4.8
333.24188	5.7
335.25790	79.5
336.26215	9.3
356.87231	6.2
453.33566	8.5
471.34863	7.2
488.24045	5.5
494.88498	5.2
527.37225	44.7
534.24933	6.0
545.38263	16.6
594.26447	16.7
594.45630	7.4
612.27942	38.8
612.37482	6.0
612.47198	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.266
Annotation	Karajinone B
Peak:m/z	Relative Intensity
52.87154	0.5
53.03955	0.3
55.05506	1.0
57.03443	0.5
62.27855	0.3
67.05497	1.6
69.07045	0.6
70.66222	0.8
70.66589	0.9
79.05494	1.6
80.52898	0.4
81.03433	0.4
81.07079	2.3
91.05482	1.1
93.07057	1.1
95.01318	0.5
95.04967	0.9
95.08612	1.2
97.01556	0.3
105.07038	1.5
107.08627	0.9
109.06529	1.6
109.10145	0.8
117.07032	0.5
119.08587	1.6
121.06531	0.4
121.10155	1.1
126.07616	0.3
129.06967	0.4
131.08600	1.0
133.10147	0.9
133.59729	0.4
135.11665	0.6
143.08498	0.4
145.10132	0.4
147.04454	0.7
147.08058	0.4
148.04813	0.3
155.08632	0.4
159.11613	0.4
169.67627	0.4
183.09094	0.4
185.39336	0.4
204.06583	0.4
211.13239	0.5
221.15358	0.8
251.11752	0.4
263.11777	0.7
294.21582	0.9
326.30585	0.4
329.15073	0.4
336.26297	0.4
338.15582	0.4
340.13770	0.5
353.17621	0.8
366.14838	1.0
367.15363	0.7
367.19318	1.3
379.15497	0.6
380.16443	1.0
381.17020	2.2
382.17978	0.5
393.17209	0.7
394.18188	0.6
395.14749	0.4
395.18823	3.1
396.19550	3.6
397.20282	1.2
407.18945	0.5
408.15384	0.5
409.16437	1.6
409.20602	1.4
410.16806	0.5
410.21524	0.8
411.22070	2.3
422.94177	0.4
423.17584	3.6
423.22931	0.7
424.18878	3.6
425.19843	1.2
436.19473	0.7
437.15948	1.8
437.20319	1.3
438.20663	2.6
439.21378	6.2
449.19733	0.9
450.20929	0.5
451.17105	5.0
452.17911	1.7
453.19302	0.8
464.18509	0.8
465.19006	1.2
465.24173	0.6
466.20026	5.3
467.20651	2.8
479.21045	2.8
482.23151	1.6
483.23987	1.1
493.22360	1.6
495.19809	0.6
497.17892	0.5
497.25656	1.1
506.20612	0.4
510.22781	1.4
511.20023	0.7
521.21692	0.7
525.25043	10.4
535.23779	0.9
538.22229	1.7
539.22888	1.3
553.24463	16.7
581.24054	0.8
585.26709	0.5
598.23889	0.8
613.26514	100.0
614.26764	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	613.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	30.2
67.05505	1.8
69.07069	1.6
71.55315	1.5
71.95264	3.5
72.96046	1.0
74.97580	1.1
79.05505	2.5
81.07056	2.8
84.96043	2.7
91.05494	2.6
93.07056	2.6
95.05032	1.6
95.08595	2.0
98.97596	74.8
100.99168	1.1
105.07042	2.8
107.08627	2.0
109.10165	1.4
110.97573	5.4
112.99142	28.9
116.98644	27.1
119.08576	2.0
121.06506	1.1
121.10172	1.5
122.64684	0.8
124.99142	3.1
128.06253	1.0
128.98618	7.7
129.07098	0.8
131.00186	39.2
131.08586	1.4
133.10110	1.4
134.99681	8.0
135.11688	1.5
140.00233	3.2
140.98659	2.6
142.07846	0.9
143.00174	8.5
143.08578	0.9
145.10129	1.8
146.99709	2.4
149.01231	26.6
149.09665	1.2
152.98677	1.1
154.01753	3.5
155.00172	1.1
157.01801	1.0
158.99675	33.0
161.01248	8.0
163.11180	1.0
166.01924	1.0
167.02304	3.8
170.99689	4.2
172.02930	2.2
173.01212	5.5
177.00740	38.1
182.01234	1.2
184.02852	1.5
185.01242	4.1
189.00687	4.6
191.02226	6.5
195.01810	2.7
199.02806	7.9
200.02255	4.9
201.00668	1.3
203.02237	5.1
209.01341	1.8
209.13297	1.1
215.02264	2.9
217.03749	4.9
219.01796	9.3
227.02370	3.2
227.09532	1.2
233.03400	1.6
237.02840	6.3
260.04602	1.4
261.22101	0.9
275.04401	17.4
279.12698	1.0
293.05466	48.3
311.06494	8.7
316.07172	6.0
317.17914	100.0
334.08032	2.8
335.18954	28.3
358.20535	8.9
359.18765	1.2
373.20844	1.4
377.20114	6.1
391.21536	2.5
497.24182	3.6
553.26917	46.6
613.40991	1.6
614.36902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
56.96289	2.8
56.96567	34.4
57.07044	1.3
60.04501	1.2
67.05510	5.1
69.88428	2.8
69.88839	4.6
71.95271	3.8
72.96061	1.7
79.05497	3.9
81.03423	1.8
81.07056	4.5
83.08608	1.6
84.96056	6.0
85.06512	2.0
91.05491	4.2
92.05727	1.4
93.07027	4.3
95.08611	4.1
97.06573	1.5
98.97590	80.9
105.07043	5.6
107.08604	4.4
110.97588	5.7
112.99139	31.1
116.98631	34.5
119.08607	3.7
121.10157	2.8
123.08099	2.5
123.11722	1.5
128.98610	6.6
129.06992	1.4
131.00179	42.6
131.08575	2.5
133.10104	3.8
134.99675	8.5
140.00209	5.0
143.00140	7.8
143.08589	2.1
145.10080	3.6
146.99667	3.4
149.01236	29.8
149.02431	2.1
149.09576	2.1
153.04269	1.2
154.01761	2.5
155.00215	1.5
157.10225	2.2
158.01273	2.0
158.99669	33.2
159.11696	2.7
161.01219	7.5
163.11249	1.7
167.02266	4.2
167.10785	1.5
170.99727	3.1
172.02834	3.0
173.01218	6.8
175.02815	1.9
177.00735	36.1
179.02200	1.3
185.01266	5.8
189.00726	4.6
191.02296	8.7
192.72221	1.3
195.01756	3.3
199.02771	9.1
199.27290	1.2
200.02286	6.4
201.00757	2.5
203.02266	5.8
209.01207	3.7
215.02321	5.2
217.03871	5.2
217.07385	1.3
219.01813	9.5
221.15424	2.2
226.20181	1.3
227.02229	2.8
227.09557	1.6
233.03296	2.4
237.02843	6.9
245.10628	1.8
259.13104	1.5
275.04407	19.6
293.05466	52.5
294.86694	1.4
299.20145	1.7
311.06613	9.1
316.06992	5.7
317.17908	100.0
333.16971	1.6
334.08090	2.3
335.18942	25.4
345.57324	1.4
358.20508	9.7
359.19000	1.6
377.20016	10.4
391.21481	3.8
403.21417	1.4
480.30493	2.1
497.24152	4.5
535.25653	1.7
553.26929	66.4
554.27032	1.6
596.56616	1.4
613.23126	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03942	3.5
55.01876	0.9
55.05259	1.6
55.05512	16.4
57.03444	4.5
57.07074	3.6
57.07405	0.7
65.03932	2.6
67.05508	51.5
69.06722	1.5
69.07073	18.9
69.56123	4.4
71.04992	1.5
71.08631	4.3
79.05498	28.3
81.07062	51.7
83.04977	1.6
83.08623	10.9
85.06521	1.8
91.05482	19.0
93.07050	34.8
94.64675	0.7
95.04962	3.4
95.08612	39.9
97.06541	2.8
97.10155	5.6
98.21497	1.3
99.08112	2.0
105.04545	0.8
105.07036	21.3
107.08604	23.0
109.06509	1.2
109.09455	1.7
109.10162	23.1
111.08076	2.4
115.05475	1.1
117.07032	9.6
119.08589	22.3
121.10149	19.7
123.08041	1.2
123.11722	9.1
129.06967	4.2
131.08574	17.9
133.10146	17.9
133.11195	1.0
135.11697	14.8
137.09592	1.3
137.13220	4.0
142.07829	1.2
143.08583	5.0
145.10132	17.5
147.11690	15.5
149.09608	1.2
149.13264	8.7
151.11209	2.0
151.14796	1.2
155.08647	2.1
157.10129	4.7
159.11697	12.5
161.13260	9.4
163.11220	0.9
163.14876	3.5
169.10164	1.4
171.10454	1.0
171.11659	5.0
173.13255	8.7
175.14767	4.4
177.16463	1.9
179.14334	8.1
183.11707	2.0
185.13214	4.9
187.14806	4.7
189.16388	2.4
191.17966	1.6
197.13380	1.4
199.14873	2.8
201.16335	3.9
203.18019	1.3
206.03807	0.9
211.14790	1.4
213.14648	1.1
213.16495	2.0
215.18077	2.3
217.19475	1.0
225.16257	1.1
227.18248	0.9
229.19463	1.3
231.21133	1.1
241.19661	3.1
243.21263	1.4
247.20737	0.9
257.18991	0.9
259.20526	7.7
261.22180	8.0
263.23697	1.6
268.12051	0.8
273.22159	1.2
275.23834	0.9
277.21671	8.1
285.22476	1.5
287.23663	0.9
295.22546	0.9
299.23834	1.5
306.63895	0.8
317.24756	1.3
323.26065	1.0
327.26865	1.9
333.24252	4.5
335.25824	11.8
337.27423	7.9
489.35699	2.2
503.36969	1.7
512.02551	0.9
521.43665	5.2
539.44598	2.7
543.40460	1.8
595.47363	8.9
613.48279	100.0
614.48254	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.62429	0.9
53.03943	3.0
55.01855	1.0
55.05515	16.5
57.03442	6.6
57.07071	3.0
65.03928	1.9
67.05508	51.2
69.07073	17.2
70.78486	2.9
71.04976	1.3
71.08618	1.4
77.01274	1.0
79.05498	34.2
79.77239	1.0
80.52924	1.1
81.07063	51.2
81.48063	1.0
83.05003	1.2
83.08626	9.9
84.99343	1.1
85.06548	2.1
91.05486	25.5
93.07053	37.4
95.04974	2.6
95.08614	49.4
97.06546	2.6
97.10185	5.1
99.08116	1.5
103.05476	1.3
105.07041	26.6
105.07758	1.5
107.08612	24.0
109.06522	1.2
109.10164	22.3
111.08083	2.0
117.06493	0.8
117.07047	8.3
119.08587	24.3
121.10159	19.5
123.08011	1.6
123.10064	1.0
123.11739	9.3
125.09652	1.6
129.07027	4.3
129.73526	1.1
131.08577	16.5
133.10161	19.2
135.11705	13.8
137.09711	1.4
137.13277	4.1
139.11246	1.2
143.08543	6.4
145.10127	15.8
147.11700	14.8
149.09785	1.1
149.13258	9.1
151.14828	1.1
153.06458	1.2
155.08607	2.8
157.10185	6.3
159.11707	13.2
161.13269	9.9
163.14882	3.6
169.10170	2.9
171.11714	6.5
173.13275	10.0
175.14807	5.2
183.11690	2.7
185.13303	4.2
187.14856	5.7
189.16406	2.0
199.14888	2.3
201.16364	3.1
203.17998	1.3
213.16522	2.6
215.17979	1.6
217.19531	1.3
241.19664	2.1
243.21149	1.3
259.20590	9.7
261.22174	12.4
262.22556	1.3
263.23730	2.7
273.21945	1.3
275.23666	1.7
277.13635	1.2
277.21820	1.5
287.23853	1.6
299.23679	2.0
307.89923	1.1
315.26779	1.2
317.24713	2.5
323.25952	1.2
333.24368	7.6
335.25851	17.1
337.27463	9.6
353.27740	1.2
489.36041	2.4
503.36990	1.4
518.19482	1.2
521.43665	6.7
539.44598	3.2
595.47253	14.6
613.48285	100.0
614.48669	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	614.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01868	2.5
55.05261	2.5
55.05514	34.3
57.03442	14.6
57.07072	6.8
59.04990	4.8
65.03934	2.9
67.05510	77.8
69.03416	3.0
69.07067	12.4
71.04994	4.0
71.08637	2.3
73.06556	3.0
79.05497	33.1
81.03422	2.9
81.07063	52.3
83.04979	4.6
83.08625	10.3
85.02911	7.8
85.06554	2.0
85.10191	3.4
87.04473	11.5
89.06039	100.0
91.05478	20.8
93.07050	29.7
95.04955	5.0
95.08612	34.6
97.06513	2.5
97.10183	16.6
98.20721	4.2
99.08092	1.7
105.07024	12.6
107.07060	3.1
107.08606	21.1
109.06506	3.3
109.09473	3.3
109.10168	36.6
111.08083	1.9
113.07996	1.6
117.07065	7.0
117.07751	1.5
119.08596	10.6
121.10161	15.8
123.08082	3.1
123.11712	2.9
125.09631	20.3
129.07001	1.6
130.08650	2.8
131.06993	2.1
131.08572	10.7
132.50162	1.3
133.08614	67.2
133.10092	7.9
135.08095	1.9
135.11714	11.0
137.09602	2.7
143.08566	1.6
143.10687	1.6
145.10126	11.5
147.08025	1.4
147.11702	5.3
149.13251	4.5
153.12741	1.6
155.10661	2.4
157.10054	2.7
159.11694	5.6
161.13246	3.1
163.11240	3.3
163.14766	2.1
173.09697	2.0
173.11703	10.3
173.13269	3.9
175.14893	1.6
177.11241	26.7
181.12289	2.1
187.14801	1.7
189.12988	1.5
199.13271	8.3
221.13745	4.6
227.12840	3.0
229.14345	23.4
243.21149	1.7
261.22150	5.7
267.16028	1.7
283.17456	2.4
301.16443	4.7
312.20303	1.8
327.20148	3.5
335.25845	44.9
336.26358	1.4
337.27219	1.7
371.22708	2.1
415.25357	23.6
477.35785	5.6
489.35660	7.6
534.33197	4.2
561.37579	3.1
592.35193	1.8
614.38995	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.0
53.24379	3.7
55.01863	7.9
55.05520	53.5
57.03436	19.7
57.07076	11.3
59.04988	7.2
65.88917	4.3
67.05170	7.0
67.05512	100.0
69.07091	22.6
71.01355	7.3
71.04999	4.9
71.55200	7.3
78.44238	3.9
79.05503	55.1
81.03420	6.9
81.07063	73.2
83.04973	10.5
83.08621	20.9
85.02909	13.9
85.06551	6.4
87.04478	7.8
89.06039	51.5
91.05495	32.5
93.07056	46.2
95.04971	11.3
95.08619	52.4
97.06556	9.0
97.10182	26.3
101.90816	4.6
102.23153	4.7
105.07040	24.1
107.08597	31.3
109.06565	5.7
109.09570	4.5
109.10191	46.1
111.08068	7.1
117.07021	7.1
119.08594	21.0
121.06582	5.8
121.10165	17.2
123.11722	9.0
125.09647	29.9
128.72667	4.0
131.08582	14.7
133.08627	30.3
133.10147	11.2
135.08055	6.3
135.11656	12.2
137.09659	5.0
142.07787	5.4
143.08571	8.0
143.10638	5.1
145.10124	16.3
147.07945	4.6
147.11702	10.2
159.11699	7.2
161.13248	8.7
163.11243	6.2
171.11731	6.3
173.11842	7.6
173.13258	5.4
177.11223	15.3
187.14986	5.0
199.13322	10.8
221.13519	7.0
221.15582	6.1
227.12753	7.1
229.14368	26.3
261.22266	5.3
289.50427	4.4
299.15002	31.2
301.16367	11.6
335.25864	48.6
337.27451	49.7
397.23831	6.6
415.25256	11.1
477.35443	7.3
524.41455	4.9
561.38019	25.1
614.48474	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	614.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
53.67269	3.5
55.01867	5.7
55.05521	25.3
57.03439	17.7
57.07081	9.6
65.03944	4.9
67.05512	60.0
69.03445	5.1
69.07065	28.5
70.78985	8.6
79.05495	28.5
81.03424	77.3
81.07063	68.5
82.07365	3.6
83.04967	6.2
83.08633	29.7
89.06049	6.7
91.05506	32.1
93.07055	29.2
95.04980	39.4
95.08630	47.9
97.06531	9.4
97.10184	11.9
102.02856	3.9
105.07040	26.7
107.05000	5.4
107.08588	22.8
109.06502	4.8
109.10145	23.3
111.08086	7.2
117.06973	6.1
119.08591	33.3
121.10134	19.8
123.08070	11.7
123.10786	4.4
123.11701	5.5
125.09657	4.5
129.07016	10.5
131.08595	12.9
133.10138	14.9
135.08038	7.8
135.11679	9.8
137.09622	4.6
142.07788	6.1
143.08549	10.1
145.10135	14.7
147.11699	15.3
155.08531	5.1
157.10146	16.1
158.10861	4.2
159.08034	7.7
159.11684	4.6
160.12175	3.6
161.13173	4.8
163.11235	6.0
163.14870	5.4
169.10181	5.2
175.11137	7.7
175.14941	4.6
181.12282	6.6
183.11597	5.7
185.09613	5.9
193.10516	6.7
193.12222	25.3
199.11363	4.2
225.12688	4.7
245.22632	4.8
263.23712	6.4
267.15927	99.9
273.18463	5.2
293.18829	4.3
329.47549	4.0
337.27417	100.0
352.24054	15.1
384.23035	14.1
397.70673	4.1
455.35889	5.0
466.51807	4.7
476.29260	8.1
529.38959	76.3
530.39642	5.6
547.39941	23.3
614.30786	6.9
614.39771	15.9
614.48669	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	615.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01874	1.5
55.05261	1.8
55.05515	21.1
57.03432	4.2
57.07080	6.5
57.44440	1.1
57.82623	1.0
59.05036	1.0
63.87929	1.1
65.03949	2.4
67.05511	51.5
67.62971	1.2
69.06728	1.5
69.07076	21.5
70.84177	1.2
70.84496	1.9
71.04997	1.8
71.08630	2.9
79.05499	28.8
81.07065	59.9
81.77006	1.1
83.04971	1.6
83.08633	13.5
85.06539	2.2
89.06017	1.8
91.05486	22.1
93.07053	37.7
95.04982	2.5
95.08615	45.5
97.06527	2.8
97.10194	8.5
99.08037	1.3
100.38463	1.0
105.07040	22.6
106.10042	1.1
107.08596	22.5
109.06522	1.7
109.10159	22.2
111.08074	2.5
111.11725	2.8
117.07037	7.7
119.08595	26.0
121.10146	19.3
121.67734	1.2
123.08105	2.3
123.11718	9.8
125.09660	1.3
129.07018	2.8
131.08560	15.2
133.08661	1.4
133.10139	19.7
135.11705	12.4
136.88585	1.1
137.13295	2.2
139.11182	1.1
143.08607	3.9
145.10127	12.5
147.11707	12.6
149.09677	1.3
149.13271	8.8
151.14865	1.3
157.10179	3.9
159.11717	11.2
161.13272	9.1
163.14868	4.5
165.16420	2.2
169.10110	1.9
171.11739	4.6
173.13275	6.0
175.14864	4.6
183.11723	1.5
185.13304	5.0
187.14857	4.1
189.16364	1.3
191.17995	1.7
197.13394	1.3
199.14928	2.7
201.16357	2.6
203.17911	1.7
205.19583	1.6
211.15034	1.3
213.16473	1.5
215.17915	1.3
217.19569	2.5
219.21054	1.8
229.19446	1.6
231.21082	1.4
233.22679	2.7
241.19685	2.0
243.21111	2.5
247.20724	1.2
259.20667	4.6
261.22113	8.2
277.21533	1.4
281.21240	1.2
301.25262	1.6
317.24948	1.6
333.24411	3.0
335.25830	7.9
337.27423	12.7
339.29111	4.8
355.30130	1.3
377.60046	1.3
385.35068	1.2
402.19476	1.1
517.39124	1.5
523.44995	6.8
541.46484	3.9
597.48584	12.6
615.49896	100.0
616.50098	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	615.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01875	1.3
55.05262	1.4
55.05515	20.3
57.03443	5.9
57.07076	7.2
64.76278	0.7
65.03939	3.0
67.05510	57.0
67.15526	0.7
69.07076	24.7
70.98510	1.9
70.98895	0.8
71.04987	1.9
71.08630	2.6
78.13548	0.7
79.05498	28.6
81.07064	55.9
83.05003	1.8
83.08622	14.2
85.06538	1.7
85.10194	1.5
89.06010	1.1
91.05490	21.9
93.07052	38.6
95.04972	2.7
95.08612	47.4
95.96568	0.8
97.06533	3.5
97.10183	8.2
105.04536	1.0
105.07039	23.0
106.84857	0.7
107.08603	26.8
109.06528	1.2
109.10161	22.0
111.08096	1.8
111.11707	1.6
113.09663	1.3
117.07033	6.3
119.08591	22.6
121.10148	20.7
122.35284	0.8
123.11710	8.8
125.09679	2.1
129.07047	3.6
131.08591	13.8
133.10149	17.6
133.11098	1.5
135.11690	13.5
137.09653	1.0
137.13269	3.9
143.08575	3.8
145.10138	14.0
147.11708	12.2
149.13278	8.7
151.11183	1.0
151.14857	1.8
157.10181	3.3
159.11711	10.8
161.13257	9.2
163.14841	4.4
165.16373	1.4
169.10205	1.2
171.11740	3.9
173.13289	6.7
175.14816	6.7
177.16397	2.8
183.11732	1.3
185.13309	3.7
187.14809	4.4
189.16434	2.5
191.17911	1.0
199.14865	2.0
201.16460	2.7
203.18059	1.2
205.19582	2.0
208.39125	0.9
213.14845	0.9
215.17961	0.9
217.19617	1.0
219.29379	1.0
220.91568	0.8
229.19569	1.8
231.20914	1.1
241.19518	2.3
243.21162	3.7
245.22780	1.2
247.20647	0.8
247.24362	0.9
257.19012	1.2
257.22806	1.3
259.20633	6.0
261.22180	9.9
263.23724	2.2
273.22311	1.8
279.23358	1.1
287.23792	1.5
289.25244	1.0
301.25336	1.4
315.26804	1.1
317.24646	2.0
333.24323	3.3
335.25803	9.5
337.27393	14.4
339.28922	5.4
349.27838	1.0
351.28970	0.9
357.31613	1.0
445.36929	1.0
505.44739	1.5
517.38208	1.1
523.45349	5.6
541.46112	3.3
545.41992	1.1
597.48755	15.5
615.49896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01873	5.0
55.05270	3.2
55.05517	53.7
57.03448	15.7
57.07073	7.3
59.05013	4.0
59.88222	2.3
65.03944	4.2
67.05511	100.0
69.03434	3.8
69.07071	35.8
70.48370	7.6
71.04993	5.3
79.05506	33.5
81.03436	3.1
81.07065	81.6
82.07359	2.7
83.04985	7.8
83.08624	26.9
85.02904	9.9
85.06556	9.2
87.04485	5.6
89.06094	2.7
91.05481	22.1
93.07053	35.5
95.04980	5.0
95.08612	58.2
97.02810	3.0
97.06531	9.3
97.10182	27.9
105.07036	21.9
107.08610	26.2
109.06516	5.8
109.10170	61.3
109.10917	4.3
109.55873	3.1
111.08097	8.4
111.11719	3.3
117.07021	5.8
119.08606	22.6
121.10145	20.6
123.08093	7.3
123.11696	7.8
125.09655	29.3
129.07059	3.3
131.08568	7.8
133.10150	15.2
135.11699	11.0
137.09633	5.3
137.13187	3.1
139.11208	3.2
143.08612	6.8
143.10669	4.3
145.10135	12.8
146.10529	3.5
147.11731	6.6
151.07553	3.7
154.36967	3.3
155.10722	3.7
157.10118	7.6
159.11716	5.7
161.13319	4.9
163.11198	8.2
163.14894	3.7
165.09146	4.0
171.11729	3.1
173.11732	13.9
173.13148	4.0
175.11150	3.9
175.14827	4.5
181.12254	7.3
183.39151	2.5
187.14842	2.8
195.11687	3.8
199.11481	3.8
199.13226	16.6
201.12685	2.8
203.14290	3.0
219.17406	3.5
221.15363	6.1
227.12801	5.3
229.14337	33.6
263.23758	6.2
301.16519	12.2
321.81357	2.7
337.27386	99.7
366.85516	2.7
461.36331	4.5
479.37598	13.3
491.37341	19.0
563.39142	6.4
616.41510	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	616.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57172	1.6
53.03942	4.2
55.01880	4.0
55.05516	49.5
57.03450	17.3
57.07070	5.2
59.05005	4.8
60.05632	1.8
65.03950	3.9
67.05512	100.0
69.03434	3.7
69.07074	28.2
70.59171	2.8
71.05002	4.1
79.05503	30.6
81.03423	3.8
81.07064	72.8
82.07378	2.9
83.04975	7.9
83.08619	20.2
85.02915	13.7
85.06540	6.1
87.04464	8.1
91.05491	20.4
93.07053	25.1
94.07375	1.9
95.04976	6.1
95.08619	51.4
97.06526	4.9
97.09562	2.5
97.10175	24.9
99.08096	2.1
105.07040	18.5
105.39963	1.7
107.08615	24.5
109.06516	7.1
109.09463	3.3
109.10167	49.1
111.08065	5.1
111.11697	1.9
115.96991	1.9
117.07013	6.0
117.79015	1.8
119.08585	24.8
121.10159	15.8
122.10529	1.7
123.08068	8.2
123.11700	6.8
125.06049	2.3
125.09647	21.8
129.06973	2.4
131.08580	9.4
133.10150	13.9
134.10471	3.9
135.11681	7.8
137.09628	3.2
137.13277	3.4
138.38657	1.7
139.11195	2.7
142.07674	3.0
143.08571	5.2
143.10648	3.9
145.10152	12.6
146.10457	4.2
147.08044	2.3
147.11694	7.1
149.13284	2.0
151.07526	2.7
151.11115	2.7
155.08521	2.2
155.10652	2.3
156.09323	2.1
157.10072	3.9
159.11673	3.3
160.12035	2.9
161.09578	1.9
161.13284	4.2
163.11192	5.5
163.14828	2.6
165.09148	4.7
169.10092	2.8
171.11627	3.3
173.11746	12.9
173.13095	2.5
175.14816	5.7
176.15300	1.9
181.12358	1.9
185.13315	3.2
193.12273	3.5
197.13219	3.5
199.13228	12.2
199.14810	1.9
203.14302	2.0
221.15427	4.8
222.15843	2.0
227.12790	3.4
229.14397	35.2
245.22667	3.5
257.13702	2.3
262.16797	2.1
263.23700	5.5
267.15912	2.2
283.15375	1.9
296.46918	1.9
301.16473	11.4
337.27393	71.7
460.47595	2.0
461.36584	2.1
479.37094	5.8
491.37592	11.3
556.25922	5.2
563.39252	3.7
584.41595	3.1
616.43341	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	616.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58708	5.7
52.64838	6.0
53.03952	6.8
55.01875	9.3
55.05521	69.7
57.03440	17.2
57.07068	19.3
59.04992	18.8
59.06116	6.4
63.25535	7.0
67.05515	94.3
69.03437	10.4
69.07078	48.1
69.28455	66.2
71.05001	8.7
79.05497	42.4
81.07065	100.0
83.04993	14.6
83.08624	28.5
84.04516	9.3
85.02897	13.8
85.06546	18.5
91.05492	49.9
92.05788	7.3
93.07050	63.0
95.04983	14.7
95.08615	74.2
97.06526	12.1
97.10182	22.5
105.07027	50.7
106.07373	10.3
107.08610	54.9
109.06528	11.3
109.10177	63.3
111.08098	9.4
117.07055	14.8
119.08602	48.8
121.06557	8.5
121.10152	30.9
123.08065	28.5
123.11703	9.8
125.06026	13.6
125.09681	36.7
129.06982	9.6
131.08589	23.6
133.10138	39.0
135.11708	18.8
136.11989	8.2
137.09663	10.7
142.07806	9.3
143.08614	12.7
144.06540	10.7
144.08960	6.5
145.10130	34.1
146.10443	9.7
147.08003	13.9
147.11696	17.2
150.35179	6.7
151.07556	20.5
155.08664	8.3
156.09335	8.9
157.10121	23.5
158.10519	7.9
159.08040	10.2
159.11702	17.2
161.13182	8.8
163.11200	19.7
165.09167	22.3
173.11794	12.1
173.13263	17.4
181.10278	9.9
181.12242	28.5
182.12592	14.6
183.11581	7.0
187.14795	10.6
188.60797	7.2
197.13243	7.9
198.13818	8.4
199.13213	15.7
207.13911	12.1
221.15440	38.3
222.15767	14.6
229.14384	23.2
237.16281	8.1
241.60133	6.8
278.17834	9.7
301.16473	17.1
337.27390	74.7
348.26025	8.7
387.54062	7.9
491.37418	16.9
540.24835	50.7
584.40796	8.2
616.36871	8.0
616.45624	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58595	7.8
55.01385	6.4
55.01879	13.5
55.05526	45.3
57.03434	20.1
57.07084	15.8
59.04993	21.2
59.06105	8.4
60.35915	7.8
63.17459	7.7
67.05515	100.0
69.03416	10.3
69.07079	40.3
71.55708	8.2
79.05502	50.4
81.03361	9.0
81.07063	97.9
82.07335	7.6
83.04996	11.8
83.08617	28.5
84.25976	7.8
85.02847	8.7
85.06533	25.9
89.66165	7.0
91.05477	44.2
93.07057	65.1
94.07378	15.8
95.04984	13.4
95.08617	69.0
97.06544	13.5
97.10185	20.8
105.07036	49.6
107.08592	46.3
109.06567	19.5
109.10172	44.2
111.08105	13.4
117.07028	11.3
119.08577	60.7
120.08913	12.6
121.10128	33.3
123.08074	19.2
123.11711	8.2
125.06002	15.9
125.09649	22.7
127.60604	7.9
129.07001	10.4
131.08578	16.5
133.10110	43.5
135.08090	9.3
135.11711	17.1
143.08524	14.8
144.06552	10.8
145.10120	33.4
146.10487	11.4
147.07979	10.9
147.11685	10.9
151.07529	15.0
152.23764	9.1
156.09264	10.8
157.10146	12.9
159.11714	9.1
161.09627	15.8
161.82426	7.2
163.11183	21.8
164.11580	9.8
165.09113	16.0
169.10092	11.2
171.11638	15.8
173.11679	11.4
173.13156	8.0
181.12218	26.4
182.10805	9.0
182.12590	8.9
185.16560	6.8
189.12700	11.1
198.15973	7.8
201.12814	9.4
203.14337	11.0
207.13861	10.6
209.13155	9.5
211.13257	12.7
221.15443	37.3
222.15730	20.1
223.11029	7.8
225.16306	10.0
229.14343	18.1
300.20258	8.0
301.16473	20.1
337.27481	55.4
347.25842	13.4
491.37173	12.7
540.24438	78.1
563.40002	10.4
584.41730	21.9
616.38464	27.4
616.43921	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35619	0.4
53.03925	0.4
55.01859	0.4
55.05497	0.5
56.96567	0.6
57.03426	0.4
67.01848	0.7
67.05502	0.9
67.36364	0.4
68.99797	0.4
69.03407	1.0
70.06595	3.3
71.55406	0.5
74.74931	0.4
74.83505	0.4
77.59594	0.3
79.05473	0.7
81.03383	1.2
81.07057	0.9
84.08129	0.9
85.02876	1.5
86.06004	0.4
86.09642	0.5
91.03973	0.5
91.05460	1.1
91.78300	0.3
93.07034	1.0
95.04951	0.9
95.08591	0.7
97.02885	0.8
97.06532	2.6
107.08599	0.5
109.02864	1.4
109.10124	0.6
111.04417	1.0
113.05969	0.5
117.03379	0.5
117.06997	0.5
119.08559	0.4
127.03936	3.3
132.06268	0.3
135.04424	1.9
137.02281	0.5
139.03922	2.7
141.05473	1.4
147.04427	0.5
153.01848	5.4
155.03397	6.5
161.02354	1.0
163.03882	1.6
169.05002	1.1
170.05753	25.2
171.02911	0.7
171.06538	2.1
173.02324	0.6
203.03461	0.8
215.07062	0.9
216.07333	0.5
229.05026	1.0
241.04887	0.8
257.04462	7.3
258.05234	6.3
259.09634	2.2
260.10007	1.8
269.04541	0.5
271.05850	0.4
285.03702	0.5
286.04745	12.1
287.05511	100.0
288.05777	0.8
362.04422	1.1
377.06497	1.3
405.06039	0.8
423.06934	2.5
437.08795	8.6
437.15530	1.0
449.10962	2.7
455.09863	19.4
455.16437	1.3
573.26257	0.4
580.34924	0.5
581.34503	0.5
617.14954	25.5
618.14819	0.5
628.76837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
54.32841	0.3
55.05508	1.4
57.03434	0.8
59.05007	0.4
67.05518	3.6
69.03426	0.4
69.07072	1.2
71.04990	0.7
71.56015	0.7
79.05501	2.5
81.03429	0.4
81.07066	3.8
83.04970	0.4
83.08628	1.2
85.06543	0.4
91.05496	1.5
93.07063	3.0
94.84225	0.3
95.08616	3.0
97.06539	0.3
105.07037	1.7
107.08598	2.2
109.10175	1.2
117.07063	0.5
119.08560	1.6
120.08937	0.4
121.10161	1.6
123.08099	0.7
125.09597	0.5
131.08588	1.3
133.10168	1.3
135.08089	0.3
135.11766	0.4
137.09602	0.4
137.40950	0.3
145.10162	1.1
147.08076	0.3
147.11697	0.4
149.09676	0.6
149.13249	0.4
151.07634	0.4
154.98947	0.3
157.10175	0.4
165.09206	0.5
173.13275	0.5
181.12166	0.4
197.08110	0.4
203.14557	0.3
221.15436	0.8
222.15810	0.7
233.11601	0.6
283.15182	15.2
310.66299	0.3
335.25943	0.9
339.17792	5.5
617.40289	100.0
618.40869	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
53.66727	5.3
55.01869	6.6
55.05521	27.3
57.07056	16.0
63.09597	5.0
65.03937	5.4
67.05508	43.2
69.03417	25.8
69.07082	25.3
71.55414	6.0
79.05125	4.5
79.05499	47.7
80.11798	5.6
81.03399	7.1
81.07066	54.6
83.04980	31.4
83.08608	20.3
85.06538	11.3
91.05489	73.3
93.07050	83.1
95.04977	37.0
95.08621	49.4
97.06548	27.1
103.05453	8.6
105.07035	100.0
107.08595	83.3
109.06521	28.5
109.10165	40.0
115.05439	8.0
117.07015	26.6
119.08588	87.4
121.06504	11.7
121.10152	97.2
122.10479	6.2
123.08051	24.1
123.11686	7.9
125.05990	27.3
125.09615	20.3
128.06212	17.1
129.06996	16.5
130.07799	10.2
131.08575	42.9
133.06509	10.2
133.10139	58.1
135.08031	20.0
135.11705	11.8
137.09599	15.2
141.06975	11.9
142.07793	24.8
143.08566	45.8
144.09303	12.7
145.10152	57.6
147.08038	20.7
147.11711	23.2
149.09631	27.8
151.07527	22.0
151.11188	8.3
153.07027	5.2
155.08530	14.5
155.10683	6.6
156.09328	15.3
157.10139	60.6
159.08061	20.6
159.11710	34.5
161.09612	25.4
161.13214	9.2
163.11185	50.0
165.07018	8.5
165.09119	18.1
167.08510	13.4
167.10687	83.7
168.09369	9.3
169.10172	31.4
170.10979	6.9
171.11722	35.2
173.09615	11.5
173.13304	26.5
174.91055	4.3
175.11160	11.1
175.14832	7.1
177.12892	6.0
179.08588	11.1
180.09415	7.1
181.10133	25.5
181.12213	33.4
182.10942	5.8
183.11702	31.7
185.09645	6.9
185.13274	12.5
187.11160	5.9
187.14767	9.8
189.12764	15.1
191.14293	6.0
192.09344	5.9
193.10141	11.1
194.10941	9.4
195.11719	17.9
196.12451	8.3
197.13268	19.9
199.14761	11.8
203.14238	8.2
206.11006	6.9
207.11749	11.1
207.13754	10.1
208.12450	6.7
209.13254	18.4
209.15276	10.5
211.11234	5.7
211.14845	14.2
213.12714	6.9
215.14366	6.6
217.15942	6.1
220.12497	9.1
221.13243	13.5
221.15376	21.5
223.14777	22.8
225.12816	6.5
225.16458	8.2
227.14256	8.7
231.11705	8.9
231.13930	6.7
233.13295	7.5
233.15340	32.9
235.14868	7.3
237.16420	9.0
245.13403	5.2
253.15839	5.7
254.93179	4.9
261.16385	7.0
269.18958	9.0
271.16937	7.2
273.16272	6.3
281.18890	6.5
295.20587	7.6
299.20074	11.6
301.21783	7.6
307.20377	6.6
361.25067	8.1
370.32010	5.5
525.35889	10.3
576.97583	4.9
581.39679	11.0
599.40851	25.0
617.42322	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
51.25929	0.7
52.51414	0.7
53.03947	2.4
54.21245	0.7
55.01870	1.7
55.05517	7.5
56.96571	29.1
57.03450	1.2
57.07090	5.3
57.15972	0.8
59.04999	3.1
64.10304	0.8
65.03931	1.2
66.46548	0.8
67.05505	15.7
69.03436	3.9
69.07067	6.9
71.04993	0.8
71.48340	0.8
71.55405	1.0
71.95260	1.4
73.02909	0.8
74.97635	0.9
79.05500	12.6
80.05842	0.9
81.03427	3.1
81.07066	18.0
83.04996	7.0
83.08620	3.1
84.96043	22.1
85.02935	1.9
85.06554	3.7
88.21995	1.0
91.05496	17.1
93.06471	1.7
93.07054	23.8
94.07379	0.9
95.04987	9.3
95.08619	14.8
97.06522	4.3
98.97598	20.5
100.45768	0.9
102.97081	2.1
103.05479	1.5
105.04504	1.1
105.07040	28.1
107.04968	1.9
107.08604	17.3
109.06524	9.5
109.10171	9.9
110.97607	4.9
111.08130	2.3
112.99165	2.7
115.05474	1.6
116.06270	1.1
116.98635	8.3
117.07037	7.0
119.08600	21.3
121.06521	4.4
121.10155	15.5
123.04430	0.8
123.08079	14.9
123.11724	1.2
124.99109	6.3
125.06007	5.3
125.09653	3.5
128.06244	5.2
128.98628	3.6
129.07036	5.8
130.07828	1.9
131.00194	5.0
131.08578	12.8
133.06520	2.6
133.10152	15.2
134.99661	3.6
135.08047	6.4
135.11734	3.8
137.09647	6.5
139.11198	1.5
140.00177	1.8
140.98605	4.2
141.07047	2.9
142.07819	7.5
143.00186	17.8
143.08595	13.5
144.09349	2.8
144.98085	6.4
145.10146	19.7
146.99689	3.4
147.08058	10.7
147.11708	4.8
149.01236	8.6
149.09651	3.7
149.13316	1.1
151.07561	14.4
154.07805	1.4
155.00195	3.3
155.08571	5.6
156.03642	1.5
156.09392	4.8
157.01767	1.4
157.10152	15.5
158.10880	1.5
158.99692	4.3
159.08098	3.9
159.11713	8.9
161.01247	15.5
161.09653	3.9
161.13281	3.4
162.10545	1.0
162.99179	5.3
163.11203	9.9
165.07104	1.8
165.09123	17.9
167.02339	2.8
167.08598	2.2
167.10704	3.7
168.09383	1.4
169.10156	7.4
170.11003	2.4
171.08148	1.2
171.11722	12.8
172.94356	1.3
173.01292	3.1
173.09679	3.3
173.13240	5.4
175.02835	1.8
175.11234	3.6
175.14873	2.4
177.00809	1.6
177.09175	1.5
179.02187	1.7
179.08606	2.1
180.09355	1.3
180.94824	3.2
181.10208	2.5
181.12268	9.7
182.01297	1.1
182.10979	2.2
182.99692	8.3
183.11717	6.8
184.02901	2.3
184.12547	0.9
185.09717	1.3
185.13234	6.1
186.10402	1.2
187.11212	2.4
187.14870	2.1
189.12674	4.3
190.95280	1.1
191.02303	1.5
191.10669	1.2
191.14430	2.1
193.08530	1.4
193.10201	2.5
193.12166	1.6
194.10999	1.5
195.11761	4.5
196.12433	1.3
197.13354	3.2
198.95886	5.6
199.11238	1.5
199.14850	3.2
201.00737	11.1
201.12830	1.4
203.14328	8.9
205.10283	1.1
206.11154	1.4
207.11784	3.1
207.13875	7.6
208.12494	0.9
209.13283	5.1
209.15251	1.2
210.95868	1.0
211.11296	2.2
211.14862	2.7
212.97626	1.4
213.12926	1.4
213.16444	1.6
215.14401	1.6
216.97029	1.1
219.01813	2.5
219.11729	1.6
219.13847	0.9
220.20045	0.9
221.13362	3.1
221.15375	50.3
222.15854	1.4
222.95984	1.2
223.14859	2.2
224.97531	1.8
225.12851	1.7
225.16458	2.5
227.14464	1.2
228.96936	2.0
229.12210	1.1
231.11572	1.3
233.13287	1.5
233.15437	3.2
235.14891	1.3
239.14526	1.5
239.17999	1.1
240.96939	4.5
242.98540	1.9
246.14255	1.1
246.95923	2.4
246.98128	1.5
251.18069	1.9
253.16042	1.3
254.98593	0.9
264.96924	10.4
271.16953	2.1
273.18649	1.0
278.14639	2.3
278.64807	1.6
282.97980	19.5
285.18637	1.4
286.19370	6.7
287.20169	2.6
293.05240	1.4
299.20117	2.2
300.20837	1.6
300.99081	8.5
305.99817	2.2
312.20929	1.5
317.17932	24.8
318.18243	1.8
335.18942	7.0
357.01730	3.2
358.20578	2.4
359.17227	11.0
359.67422	11.3
360.17587	2.8
375.02942	3.1
379.68597	1.4
391.21762	1.3
391.26401	1.1
525.35828	1.6
535.80688	2.0
537.35724	3.3
581.20911	1.3
581.40295	2.1
599.21997	2.4
599.40802	5.9
617.23120	100.0
617.43274	26.8
618.23688	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	617.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26449	3.6
51.91486	3.8
53.03951	9.4
55.01877	4.8
55.05516	29.0
57.07064	17.2
65.03940	6.9
67.05511	45.0
69.03428	14.4
69.07076	24.9
69.62140	16.2
69.62561	8.2
71.04990	3.7
79.05499	36.5
81.03444	3.8
81.07070	58.0
83.04990	24.0
83.08611	19.8
85.06541	10.6
87.04482	7.6
91.05482	70.4
93.06480	6.2
93.07050	85.4
95.04975	33.3
95.08134	4.2
95.08620	40.6
97.06515	16.6
103.05459	6.5
105.04513	5.4
105.07041	100.0
107.08596	70.8
109.06548	23.5
109.10160	40.5
111.08103	9.1
113.09617	4.9
115.05454	9.0
116.06248	5.4
117.07004	19.5
119.08586	74.3
121.06493	16.4
121.09328	6.0
121.10161	98.0
123.08083	24.9
123.11732	5.5
125.06021	25.3
125.09648	15.3
128.06226	12.6
129.07019	22.2
130.07758	9.6
131.08583	43.8
133.06429	5.7
133.10158	42.2
135.08055	28.0
135.11679	17.7
137.09621	10.8
139.11151	4.6
141.06976	11.7
142.07785	25.0
143.08565	42.5
144.09312	13.3
145.10144	59.6
147.08054	20.7
147.11678	18.2
149.09616	23.1
151.07520	12.5
151.11206	8.1
155.08578	22.0
155.10612	6.5
156.09340	13.4
157.10149	55.2
158.10970	5.8
159.08067	17.7
159.11679	36.5
161.09607	13.4
161.13255	11.0
163.11188	38.4
165.06982	8.4
165.09123	15.0
166.07776	6.1
167.08534	9.7
167.10683	73.5
168.09389	7.8
169.10104	26.4
170.10889	5.6
171.08060	4.9
171.11684	29.3
173.09578	11.6
173.13264	18.5
175.11171	8.2
175.14838	7.3
177.12741	6.5
179.08630	8.7
179.10585	5.2
181.10086	15.3
181.12234	37.6
182.11002	8.7
183.11749	20.4
185.09557	7.4
185.13202	19.5
187.11147	8.5
187.14859	5.3
189.12743	13.1
191.14291	7.8
192.09337	7.6
193.10138	15.3
194.10933	10.9
195.11707	16.0
196.12421	4.3
197.13274	23.8
199.11195	5.0
199.14906	4.9
203.14328	12.7
205.10172	5.5
207.11697	16.4
207.13771	9.4
208.12462	7.3
209.13342	21.4
209.15210	4.5
211.14827	15.2
213.12737	5.0
213.16385	4.7
215.14389	6.8
217.15810	4.1
221.13197	12.0
221.15352	32.7
223.14857	20.8
224.15649	5.3
225.16492	8.6
227.14368	10.0
231.11789	5.9
233.13376	6.1
233.15398	28.8
235.14795	8.7
237.16273	6.4
239.17940	5.4
247.14859	6.1
249.16507	6.0
269.19012	8.3
273.16333	5.5
281.18912	4.7
287.20135	6.4
289.19601	4.4
299.20074	11.3
350.48819	4.3
361.25143	4.5
379.26120	4.8
485.04541	3.9
599.40875	16.6
617.42908	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.2
55.01872	17.5
55.05521	39.4
56.96563	3.8
57.03438	14.8
59.05009	2.8
61.02911	2.2
65.03940	5.1
67.05509	49.4
69.03446	25.3
69.07076	17.7
69.66734	2.4
70.43198	5.4
70.43530	2.5
70.44610	2.3
71.01358	3.3
71.04974	7.2
73.02911	2.2
73.33009	2.2
79.05062	4.3
79.05500	61.2
81.03427	100.0
81.07066	45.3
81.08929	2.7
83.01363	4.1
83.04990	24.9
83.08628	24.9
85.02907	17.3
85.06529	2.8
91.05484	53.6
91.77568	2.3
93.07055	38.2
95.04973	33.4
95.08607	17.8
97.02899	20.9
97.06519	12.0
97.10177	26.5
99.04449	7.3
99.08105	2.7
102.49156	2.1
103.05499	4.5
105.03355	2.5
105.04581	2.4
105.07038	28.5
107.04962	23.0
107.08601	20.7
109.02870	26.6
109.06541	10.9
109.10155	10.8
111.04472	8.0
111.08084	6.3
112.66909	2.4
115.05477	6.9
117.03416	5.3
117.07030	17.7
119.04963	16.5
119.08588	20.7
121.02893	3.6
121.06531	12.8
121.10188	12.5
123.04465	11.9
123.08083	9.7
125.02386	12.9
125.09630	22.3
125.10307	2.1
127.03962	11.2
128.06267	4.5
129.07021	17.9
131.04953	9.7
131.08606	17.4
133.06485	8.4
133.10149	7.9
135.04472	5.3
135.08058	10.3
135.11725	15.4
137.06018	2.9
137.09636	4.0
141.07033	3.2
142.07800	3.8
143.08612	8.4
145.02843	11.9
145.06494	11.4
145.10146	16.6
147.04422	41.0
147.08080	6.8
147.11691	10.2
149.06033	8.6
149.09615	6.1
151.69064	2.6
153.09180	4.0
153.12772	5.8
155.08559	5.0
157.06459	6.7
157.10138	11.0
159.08089	4.7
159.11699	3.4
161.06044	9.2
161.09639	4.0
163.03992	5.3
163.11183	16.6
165.05544	3.5
167.08589	3.6
169.06566	2.6
169.10170	3.7
171.08101	7.3
173.04491	3.5
173.05997	6.4
173.09642	7.6
175.11206	6.3
177.05502	19.8
181.10152	4.9
181.12204	5.0
183.06581	2.8
183.08115	4.8
183.11758	3.7
185.06110	3.9
185.09619	3.6
187.07596	6.7
187.11163	3.0
189.05580	5.4
189.09357	4.5
189.11244	15.0
189.12801	4.0
191.10715	8.1
193.10515	2.4
193.12242	13.8
197.05859	2.8
201.09160	2.9
203.07011	3.1
205.12273	4.9
209.11708	5.5
211.11429	4.7
211.13359	14.2
213.12817	3.9
217.12314	2.5
221.08090	3.3
223.11378	2.7
223.25572	2.5
227.12718	14.1
231.13841	4.7
235.13376	4.6
237.09215	3.5
239.02255	3.1
247.13585	2.3
249.15057	3.0
251.09064	3.5
255.13640	3.5
265.08759	3.5
267.16052	7.8
271.13477	4.4
273.14816	13.5
283.15567	18.3
289.14407	4.6
291.16269	2.9
301.07138	3.0
301.14313	16.0
306.73279	2.7
311.16431	4.3
319.15552	9.7
323.09094	5.5
329.17569	2.6
337.16672	3.0
339.15985	7.2
353.16122	3.0
357.17017	4.9
365.21069	3.2
375.18054	5.5
383.22141	11.2
391.17615	3.1
393.19153	4.8
401.23489	6.1
439.17670	7.7
457.18607	12.3
457.26172	2.8
475.26898	12.1
491.25375	3.2
493.28052	7.4
509.25626	3.1
527.26208	5.6
541.27637	4.6
545.27136	4.7
555.29529	5.0
565.28113	5.3
583.28864	11.6
584.56860	2.8
601.22369	4.8
601.30341	19.7
619.22656	7.5
619.31268	87.4
620.31335	2.9
638.07794	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	619.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01878	15.7
55.05517	39.2
56.96570	11.0
57.03437	11.0
67.05509	42.0
69.03434	26.3
69.07075	13.4
70.06584	3.1
70.84580	5.9
70.84911	3.3
71.04990	10.1
77.03898	2.7
79.05501	52.9
81.02982	5.5
81.03428	67.7
81.07068	39.7
83.04993	12.3
83.08642	23.0
84.03120	3.6
85.02904	16.8
91.05498	35.9
93.07051	35.3
95.04971	32.2
95.08625	20.7
97.02932	15.6
97.06551	15.2
97.10175	27.4
99.04490	9.1
103.05490	5.1
105.07037	27.3
107.04967	17.4
107.08602	27.0
109.02898	12.0
109.06543	12.1
109.10157	14.9
110.60563	2.6
111.04462	14.2
111.08109	5.4
117.03384	4.6
117.07029	19.2
119.04958	14.0
119.08622	15.1
121.02925	4.9
121.06523	16.1
121.10188	8.8
123.04444	10.1
123.08070	7.3
123.11743	3.4
125.06062	3.2
125.09637	26.0
127.03938	8.2
128.06242	3.6
129.07047	12.2
131.04959	11.2
131.08612	12.2
133.06537	8.2
133.10184	9.7
135.04460	3.3
135.08083	8.3
135.11720	7.0
137.06009	4.4
143.08580	9.3
145.02873	13.4
145.06534	15.5
145.10147	14.4
147.04434	61.6
147.08113	9.4
147.11758	4.8
149.01256	3.4
149.06030	7.5
149.09625	5.7
153.01929	3.1
153.07031	3.2
153.09085	5.5
153.12727	6.8
155.08604	5.6
157.06554	5.9
157.10129	5.0
159.08136	7.3
161.05971	14.3
161.09622	7.0
163.03963	7.7
163.11263	20.7
165.06964	4.3
169.10207	3.9
171.08092	8.0
171.10245	2.8
171.11783	6.1
173.04524	5.6
173.06113	8.0
173.09694	4.0
175.07620	5.2
175.11217	4.7
177.05464	17.7
181.06514	5.8
181.10175	4.9
183.08035	7.8
185.05997	7.7
185.09689	4.0
187.07610	8.3
189.05563	7.6
189.09293	4.8
189.11261	14.5
189.12793	5.1
191.10616	3.8
193.12247	7.0
195.08163	4.6
197.06059	3.6
197.09724	4.1
199.07591	3.7
199.11215	3.1
201.09251	4.3
205.12398	7.9
209.11647	5.9
211.07558	5.7
211.11333	2.8
211.13324	3.8
213.12738	3.8
221.08055	3.7
223.07463	3.4
227.07433	3.0
227.12775	7.9
231.13979	6.4
235.13383	4.3
249.14914	3.7
251.09248	7.1
255.09183	3.9
255.13898	3.3
257.03391	3.2
261.80988	2.8
271.13467	3.2
273.14862	19.7
283.15573	8.3
285.15097	3.9
287.16412	2.8
289.14429	5.4
301.14435	15.4
311.05768	5.4
311.16260	3.1
319.15692	6.3
323.09271	5.0
339.15936	6.9
345.16885	3.7
355.22824	6.3
357.17178	6.4
381.13666	4.9
383.22363	19.5
393.19046	4.6
401.23621	10.5
407.22415	3.9
417.23892	4.0
439.17300	7.5
449.23538	3.9
457.18716	12.9
457.25342	6.4
463.24667	4.1
467.24368	3.4
473.23450	4.2
475.27170	7.6
483.15936	3.4
491.24069	5.6
499.27255	7.2
509.25601	3.8
527.26459	6.6
541.28369	6.2
545.27295	6.3
553.28418	4.6
555.21857	4.0
563.28174	4.0
565.28137	11.2
583.29462	24.1
601.22632	7.9
601.30701	24.4
619.22742	9.2
619.31354	100.0
620.31488	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	619.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57379	0.4
52.59090	0.4
54.88487	0.4
55.05525	2.6
57.03447	1.0
57.07063	1.2
65.30594	0.4
67.05221	0.5
67.05518	4.6
69.07074	3.0
70.79233	0.6
70.79571	0.7
71.08637	1.0
79.05489	1.4
81.03396	0.6
81.07061	3.9
83.08616	1.6
83.44506	0.4
83.46333	0.4
86.71571	0.4
87.04453	0.9
91.05463	0.9
93.07058	1.3
95.08627	2.9
97.10185	0.9
98.98502	0.6
105.07059	1.0
105.43034	0.4
107.08604	0.7
109.10178	1.6
114.30378	0.4
119.08575	1.1
121.10154	1.0
123.11749	0.5
131.08557	0.7
133.10196	0.6
135.11728	0.7
147.11713	0.6
149.71538	0.4
150.07645	0.5
150.60030	0.4
151.11200	0.4
155.01120	1.0
193.12332	0.5
211.13358	1.7
233.11530	0.8
283.15204	14.2
291.19516	0.6
337.27441	1.0
339.17831	4.6
551.61401	0.4
619.41852	100.0
620.42230	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	620.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.01863	1.4
65.03953	2.7
65.59905	1.0
67.05533	1.3
69.03426	1.2
70.06602	4.7
70.70387	3.0
72.08148	1.1
75.04493	2.5
78.04723	2.1
79.05539	1.4
80.45795	0.9
84.08147	1.3
85.02913	3.8
86.09734	1.4
90.25494	1.0
91.05495	9.7
93.03424	9.9
93.07054	4.4
95.04994	3.6
97.06536	2.2
98.97581	1.1
103.05477	4.0
105.04514	1.2
105.07055	2.3
106.04183	23.8
107.05039	1.4
109.06563	1.3
109.10231	1.1
119.04997	1.9
120.08105	1.4
121.02876	1.7
121.06522	23.4
122.02688	1.5
123.04446	1.7
124.80493	1.1
125.06024	6.3
131.04918	1.7
133.06470	2.9
134.03656	3.9
137.06000	3.7
139.07596	1.7
140.50534	1.0
145.02867	1.5
147.04414	1.6
148.05185	1.4
149.05997	38.4
151.07544	2.5
153.09126	10.2
161.05977	2.0
163.03960	2.1
163.07599	2.0
167.07076	3.9
177.05498	17.5
181.08606	14.3
191.07092	1.4
193.08661	1.7
209.08109	100.0
219.01903	0.9
223.04250	5.3
238.18385	1.1
248.38544	1.0
284.74240	1.0
419.17178	1.3
427.39621	1.2
464.17554	1.2
531.84119	1.1
620.17963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55600	0.5
55.01886	0.6
55.05520	8.6
56.05051	1.1
57.05819	1.1
60.04535	18.1
69.07081	1.1
70.02975	0.7
70.06595	1.3
71.06553	1.3
72.08163	100.0
72.70340	0.5
74.00681	0.6
76.02178	0.6
82.02985	1.1
82.05318	0.5
83.06115	5.6
84.04517	11.2
84.08153	0.9
85.02927	0.6
85.04040	1.2
85.19669	0.5
86.09711	4.2
87.05595	1.1
88.03996	3.1
91.05456	0.6
98.99077	1.8
99.05602	1.3
100.02220	1.2
100.07671	0.7
105.06615	3.2
106.05040	11.8
109.04022	3.5
110.02429	1.7
111.05593	2.1
112.02225	2.6
113.10735	0.9
114.00143	0.7
115.03307	1.8
115.05069	1.9
116.01680	3.5
116.03492	1.9
117.10286	1.8
118.03277	1.1
126.05560	0.6
129.06627	1.3
133.04314	2.2
137.03523	1.1
139.05057	1.4
140.01666	2.9
141.10269	1.6
144.06606	2.1
147.64427	0.6
151.03969	0.6
151.05061	0.9
151.08722	0.6
152.01591	0.5
156.01128	1.2
157.04333	5.6
157.06126	6.2
158.02783	2.8
162.02232	0.8
162.07686	2.5
163.03946	1.9
163.05435	2.1
168.01140	2.7
169.06143	2.0
171.02388	0.6
171.07727	2.0
171.14978	2.7
180.11450	1.0
182.12990	1.9
184.04308	0.9
185.03816	7.9
186.02379	0.6
189.03413	1.1
191.04900	1.4
197.05617	6.7
199.05554	0.8
199.14558	0.7
202.06313	1.0
203.04842	0.9
209.03854	1.6
209.08145	1.4
210.12451	1.5
211.08972	0.8
213.03278	0.9
214.08257	7.4
215.06628	5.3
226.11903	1.3
227.04898	3.5
228.13435	0.8
230.05977	0.6
231.04417	1.8
232.11093	0.7
238.11900	2.0
243.08195	2.3
244.07578	4.9
247.03876	1.4
248.07059	9.3
249.05429	9.3
254.05927	0.8
255.04381	2.8
256.10623	1.3
256.13031	17.1
260.10733	4.4
262.12332	0.8
266.08093	12.5
267.08023	0.8
272.07007	9.9
272.09714	0.7
273.05487	3.8
275.16083	1.0
276.06689	1.6
285.14563	1.8
288.10220	1.6
290.08224	3.8
290.11789	6.4
296.16107	0.9
310.17563	0.7
313.14395	0.8
317.09006	0.9
318.07635	1.6
320.12979	0.9
332.09308	0.9
335.10446	1.1
343.14426	1.7
347.13937	1.1
348.12695	0.6
353.13245	0.8
355.19992	0.8
359.10434	0.7
361.19019	0.8
365.14890	4.0
371.13809	10.2
371.18152	0.6
387.09586	0.8
388.16656	1.2
389.18738	3.7
399.13461	0.9
404.12271	0.8
405.11017	2.1
411.17886	0.6
416.16058	1.3
422.13568	3.9
428.19348	0.6
442.21362	6.5
452.19333	1.1
470.20770	10.7
486.16721	0.9
487.23395	12.6
488.22772	0.7
498.20288	1.1
503.19324	2.7
504.17316	4.2
515.22894	8.0
516.21606	0.9
521.20544	4.4
533.23535	1.0
559.25330	0.8
561.23242	1.6
574.26825	0.8
575.25146	0.8
585.23645	0.8
592.27985	1.6
602.26025	3.7
603.24420	2.4
620.27130	8.4
621.21503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01862	5.8
55.05264	3.6
55.05515	46.7
56.05630	1.9
57.02327	1.6
57.03440	2.1
59.05003	2.9
65.90829	1.6
67.05508	23.2
68.89284	1.5
69.03432	6.5
69.07079	9.4
71.01630	1.4
71.10802	3.6
74.37383	1.8
77.22790	1.7
79.05499	20.7
81.03438	2.6
81.07065	19.5
83.04990	3.4
83.08624	34.2
85.06561	2.1
91.05491	5.0
93.07064	10.0
95.08637	2.3
97.10178	87.4
105.07027	2.8
106.81700	1.7
107.08598	25.5
109.10168	5.7
111.08076	4.1
117.07036	3.4
125.09641	81.1
131.08545	1.6
135.08067	9.1
143.10652	2.4
153.09129	22.4
171.10197	4.3
189.11223	46.9
227.12791	100.0
245.13896	8.4
291.76013	1.8
305.17468	2.2
337.34399	2.1
379.21249	5.3
397.22263	61.9
415.23322	72.4
549.30652	13.5
567.31622	25.7
585.32745	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	621.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00092	0.1
53.03952	0.1
67.01874	0.6
68.99797	0.5
69.03425	0.2
71.14045	0.1
71.14391	0.1
79.05506	0.1
81.03421	0.4
81.07048	0.1
81.43172	0.1
85.02927	0.1
87.00815	0.2
89.03925	0.2
91.05500	0.1
95.04978	0.1
97.02888	0.3
99.04469	0.1
105.07069	0.1
107.04981	0.1
109.02889	0.5
110.11163	0.1
111.00829	0.1
117.03374	0.3
119.08643	0.1
121.02908	0.1
125.02319	0.1
127.03929	0.5
129.01863	0.1
135.04436	1.6
137.02359	0.6
137.05957	0.1
153.01846	5.5
157.06490	0.1
161.02357	0.7
163.03978	0.1
171.02930	0.5
171.04289	0.1
177.05406	0.1
179.03424	0.3
195.04335	0.1
203.03531	0.2
213.05461	0.2
231.04817	0.1
241.04959	0.5
245.04471	0.1
259.05997	0.2
263.05734	0.1
269.04419	0.4
278.50507	0.1
287.05527	100.0
288.05872	1.1
290.06186	0.1
535.10748	1.0
577.11456	0.1
603.09784	0.2
621.11090	1.6
642.48486	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	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37092	0.5
59.58643	0.6
65.88256	0.5
71.00591	1.3
71.00928	0.6
113.74248	0.5
146.05968	0.6
209.10759	0.7
234.11429	0.6
277.09943	0.6
366.23926	0.6
375.16223	1.3
387.16260	1.3
388.16861	1.0
389.17612	4.5
390.18533	1.5
391.19254	0.8
401.17520	1.6
402.14313	0.7
402.18796	1.1
403.19534	4.3
404.20047	3.1
405.20819	2.5
415.19614	1.1
416.15689	1.2
416.20599	1.1
417.16974	3.5
417.21002	2.9
418.17059	0.8
418.21866	1.1
419.22440	8.5
429.16742	1.1
430.17929	1.9
431.18182	8.8
431.23575	1.0
432.19394	2.1
433.20145	1.8
443.18594	1.2
444.19162	0.6
445.20221	6.5
446.20996	5.6
447.21814	12.5
457.20410	0.8
459.17197	1.4
459.21808	4.0
460.23065	1.0
461.19577	0.6
473.18735	0.9
473.24008	1.3
474.20361	11.8
475.21347	17.2
487.21393	4.9
488.22061	1.9
491.20551	0.9
501.22913	3.1
502.23145	0.6
505.25729	2.0
506.22998	0.7
529.22144	1.4
531.36633	2.5
533.25604	13.8
546.22766	1.1
561.25018	91.0
562.25256	2.9
589.24579	2.9
593.27612	3.9
621.27106	100.0
622.27405	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.91558	0.2
59.06064	0.7
61.21532	0.2
67.05450	0.7
69.07021	0.3
70.03858	1.1
70.34088	0.2
81.07005	0.6
91.05418	0.4
93.07008	0.3
95.08572	0.6
98.20702	0.2
100.08948	0.2
105.06960	0.4
107.08532	0.3
109.06511	0.2
109.10088	0.5
115.14104	0.2
142.93188	0.2
153.85597	0.2
197.38177	0.2
221.10620	0.5
235.12199	0.2
247.12164	0.3
291.19614	0.3
313.27341	0.3
349.15817	0.2
359.13016	0.3
373.14816	0.4
375.16162	1.1
376.17542	0.3
377.17722	0.3
387.16116	0.8
388.17136	1.1
389.17703	2.6
390.18634	1.2
391.19305	0.6
400.17670	0.3
401.18033	1.3
402.18774	1.6
403.19452	3.6
404.20135	2.5
405.20691	1.7
413.17780	0.6
414.18951	0.4
415.19684	1.1
416.16071	0.7
416.20090	0.9
417.17020	2.2
417.21017	1.8
418.17343	0.6
418.21597	0.8
419.22424	4.8
420.22952	0.7
427.19144	0.5
429.21118	0.7
430.17072	1.2
431.17761	3.8
431.22964	1.6
432.18741	1.3
433.19983	1.1
441.21011	0.5
443.18860	0.3
444.19620	0.7
445.20715	4.9
446.21170	3.1
447.16446	0.4
447.21899	5.8
449.19684	0.4
458.45349	0.3
459.18271	3.3
459.22922	0.8
460.17685	1.1
460.23685	0.4
461.19531	2.4
463.21472	0.3
473.19440	1.3
473.23849	0.9
474.20428	8.8
475.21289	12.2
476.21646	0.7
477.23773	0.3
478.24026	0.3
487.21335	4.0
488.22131	1.2
490.24164	0.3
491.24530	0.7
492.25430	0.4
501.22891	3.6
502.23141	0.3
503.20206	0.3
505.26489	1.9
506.23343	0.3
517.22266	0.3
518.23212	0.8
519.20349	0.7
529.22540	0.8
532.25110	0.3
533.25677	6.8
534.25830	0.2
540.82080	0.3
546.22772	0.7
547.22845	0.3
561.25024	32.3
562.25433	1.1
565.28308	0.7
577.23944	0.2
589.24957	1.5
593.27722	0.9
620.42133	0.6
621.27118	100.0
622.27478	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.45988	0.4
69.94362	0.8
69.94782	1.7
88.73515	0.4
206.47580	0.5
318.93582	0.4
373.14783	0.5
374.15268	0.6
375.16144	1.2
387.16214	0.6
388.16867	0.6
389.17560	2.6
390.18784	1.2
391.19214	0.7
401.17868	1.0
402.18570	1.2
403.14877	0.6
403.19571	4.2
404.20001	2.1
405.20953	2.3
416.10687	0.5
416.16162	1.3
417.16235	3.1
417.21411	1.6
418.22180	0.9
419.22476	5.5
429.16861	0.8
430.17520	0.9
431.18146	5.7
431.23584	0.8
432.19138	2.2
433.20270	1.8
443.18982	0.6
445.20166	5.1
446.21063	6.6
447.21832	8.6
458.21204	0.6
459.22916	2.5
460.18582	0.7
461.19772	1.4
473.19135	0.7
473.23972	0.8
474.20511	6.2
475.21371	7.7
478.24069	0.5
487.21530	2.9
488.22202	0.8
491.20789	1.4
501.23074	1.6
505.26038	1.5
518.23828	0.6
519.20227	0.6
533.25610	15.4
561.25012	19.6
562.25299	1.1
589.24701	1.2
593.27716	4.2
621.27118	100.0
622.27301	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2715
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05515	0.4
67.05501	0.4
68.05875	0.3
69.07111	0.2
70.16331	0.2
70.72437	0.3
70.72776	0.5
79.05519	0.3
81.03432	0.4
81.07059	0.3
91.05495	0.4
93.07063	0.3
99.26502	0.3
105.07051	0.4
119.08589	0.3
119.74098	0.2
125.41797	0.2
131.08546	0.3
144.37048	0.2
144.98021	0.3
183.54187	0.2
193.36568	0.2
207.09196	0.4
208.09970	0.2
209.10770	0.3
213.05460	0.2
221.10760	0.3
229.74306	0.2
236.50645	0.2
240.57292	0.2
260.13144	0.2
312.15067	0.3
340.14581	0.3
354.16360	0.3
373.14789	0.4
374.15350	0.7
375.16199	0.8
376.17538	0.5
387.16333	0.9
388.17014	1.1
389.17654	3.2
390.18597	0.8
391.19342	0.8
401.13251	0.4
401.17838	1.0
402.14124	0.5
402.19012	1.6
403.19516	4.9
404.20065	1.8
405.20865	3.3
415.19382	1.0
416.16397	1.4
416.20322	1.0
417.16196	4.3
417.21213	2.3
418.17404	0.7
418.21661	1.0
419.22467	7.0
420.23248	0.7
429.21432	0.4
430.17010	1.2
430.22781	0.4
431.18237	7.0
431.23599	0.5
432.19110	3.1
433.20367	2.7
443.18521	0.6
444.19464	0.5
445.20096	6.4
446.21066	6.9
447.21820	9.8
448.22586	0.5
457.20532	0.4
458.20956	0.5
459.17267	0.7
459.21844	2.6
460.17947	0.5
460.23505	0.5
461.19592	1.3
463.21640	0.4
471.18787	0.4
473.19330	1.1
473.23834	1.3
474.20422	7.3
475.21292	8.2
476.22458	0.3
478.23752	0.5
484.22650	0.3
487.21472	3.7
488.21960	0.8
490.23541	0.5
491.21173	1.5
492.25256	0.3
501.22910	2.1
503.20706	0.3
504.21848	0.4
505.25693	1.6
518.23267	0.7
519.20422	0.7
529.22162	0.7
533.25586	16.3
534.26270	0.4
546.22687	0.4
549.24573	0.4
561.25055	23.1
562.25647	0.6
589.24731	1.2
593.27588	4.1
621.27136	100.0
622.27570	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	621.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75637	2.2
53.03958	11.1
55.01871	7.9
55.05518	27.9
56.04472	2.2
56.96575	4.6
57.03451	11.4
61.02924	2.6
65.03946	4.0
67.05515	36.9
69.03429	16.3
69.07079	11.1
71.01364	2.4
71.04991	5.2
71.55215	3.1
73.02911	4.4
77.03887	2.0
79.05502	40.9
81.03426	100.0
81.07066	39.0
83.04990	16.6
83.08624	20.0
85.02908	22.9
85.06556	3.4
91.03962	3.2
91.05491	49.8
93.07056	27.0
95.04977	50.1
95.08622	17.3
97.02885	16.2
97.06548	13.7
97.10181	12.2
99.04465	3.9
103.03966	2.6
103.05489	7.1
105.07043	30.1
107.04966	18.5
107.08590	16.3
109.02905	14.9
109.06520	5.6
109.10167	9.7
111.04446	9.5
111.08093	9.3
115.05445	5.9
116.02061	2.2
117.07032	10.7
119.04940	9.5
119.08597	26.8
121.02892	3.2
121.06502	12.1
121.10168	11.8
123.04436	11.7
123.08054	6.1
123.11665	2.4
125.09682	10.9
127.03924	5.0
127.07745	2.2
128.06226	3.8
129.07022	14.7
131.04947	7.5
131.08588	11.5
133.06479	8.0
133.10175	11.0
135.04417	6.5
135.08067	7.1
135.11711	5.2
137.06007	4.2
142.07835	3.2
143.08578	5.1
145.06453	11.7
145.10124	8.3
147.04413	25.1
147.08054	7.5
147.11691	10.8
149.06004	5.2
149.09619	7.8
151.03880	2.4
153.09171	2.2
155.08554	4.0
157.06483	5.7
157.10147	13.4
159.08069	5.7
159.11707	4.4
161.05983	8.0
161.09641	3.4
163.03926	9.7
163.11201	9.7
165.06920	2.2
165.12794	5.8
167.08569	4.7
169.10129	3.5
171.04521	2.6
171.08090	2.6
171.11763	4.2
173.04468	5.9
173.06004	10.1
173.09741	2.2
175.11197	12.9
177.34190	2.3
181.10139	3.1
183.08060	2.9
183.11655	2.3
185.09718	3.7
187.03857	3.1
187.07541	4.0
187.11124	3.0
189.05479	6.2
189.11240	4.2
191.10736	2.8
193.12251	34.5
195.08113	3.5
195.11591	2.6
199.04004	3.5
205.12288	4.0
209.13261	2.8
211.07687	2.6
211.13283	30.1
212.13852	2.7
213.05469	4.2
213.12788	3.2
223.13205	3.2
227.12781	6.1
235.13228	5.6
237.12775	2.5
247.13426	2.6
249.14766	3.7
255.13843	4.6
259.13379	3.5
267.09082	10.5
267.15939	10.0
273.14938	20.7
277.14331	3.8
283.13171	3.7
285.10098	17.4
285.17035	7.0
301.14319	22.7
303.15863	2.8
311.12238	2.3
314.35181	2.1
315.16116	2.3
319.15561	10.1
341.17526	3.4
348.15222	4.0
355.15506	7.2
364.15857	2.2
367.22601	5.5
373.16910	2.8
375.17807	7.7
383.11401	2.8
385.23721	9.4
393.19275	4.8
403.24796	2.9
405.24161	2.3
411.20129	2.3
459.27493	14.3
477.28693	2.6
485.16797	3.8
493.26016	2.7
501.28317	5.0
525.28363	3.0
529.27173	4.9
557.30103	3.1
567.29358	6.0
570.97559	2.3
573.30554	3.8
585.30585	17.5
587.07813	2.5
603.31500	19.4
621.32550	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	621.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01620	0.7
51.02379	1.5
53.03950	8.6
55.01880	6.5
55.05517	19.8
57.03443	8.5
59.04984	0.9
62.55064	0.6
64.16999	0.7
65.03941	2.3
67.05511	28.6
69.03082	1.0
69.03432	14.8
69.07074	6.7
71.05000	5.8
71.55597	0.7
73.02902	0.7
77.03944	1.5
79.05501	30.9
81.03424	100.0
81.07063	31.0
83.01822	0.7
83.04990	16.0
83.08628	18.7
85.02911	19.8
85.06556	1.8
91.05487	39.1
93.07053	24.3
95.01315	1.1
95.04979	35.1
95.08614	10.9
97.02904	15.1
97.06523	5.4
97.10178	7.2
98.60353	0.8
99.04455	3.8
99.08120	1.7
103.03986	0.7
103.05477	2.6
105.03414	1.7
105.04612	0.7
105.07039	26.6
107.04964	11.4
107.08610	11.3
109.02891	22.8
109.06524	6.7
109.10160	5.0
111.04450	10.9
111.08093	9.3
115.05492	3.0
116.06256	1.0
117.07039	8.6
119.04962	2.6
119.08595	21.2
121.02888	1.5
121.06512	7.8
121.10141	11.2
123.04450	4.4
123.08073	3.5
123.11735	2.7
125.02383	3.9
125.06014	1.2
125.09622	6.5
127.03928	7.9
128.06245	2.5
129.07018	14.0
129.07916	1.2
131.04890	3.5
131.08589	14.7
131.09529	1.3
133.06512	6.5
133.10149	9.8
135.04486	2.5
135.08073	3.7
135.11690	3.7
137.05997	1.6
137.09602	1.6
141.07011	2.1
142.07819	2.8
143.08540	3.3
145.06493	4.1
145.10127	5.8
146.07257	0.8
147.04399	6.1
147.08038	5.8
147.11696	16.9
149.06006	3.1
149.09650	6.4
151.07608	1.1
151.11201	0.8
153.06984	0.9
153.09174	1.3
153.12776	1.4
155.08585	2.5
157.06532	2.8
157.10149	14.6
159.08122	2.0
159.11739	1.9
161.06027	3.0
161.09630	2.5
163.03952	2.5
163.07536	1.3
163.11203	6.5
165.06990	0.9
165.12695	4.4
167.08629	1.7
169.10167	1.4
171.04539	0.9
171.08105	1.9
171.11736	2.2
173.04488	4.3
173.06059	2.7
173.09561	1.7
173.11885	0.8
175.07578	1.6
175.11197	13.0
177.12746	1.0
179.08638	0.8
181.06592	0.8
181.10146	1.3
181.12292	2.4
183.11742	1.3
185.06052	1.2
185.09683	1.6
185.13345	1.0
187.07623	1.7
187.11220	1.6
189.05550	2.1
189.11276	2.7
189.12802	1.7
191.10582	3.4
193.12257	34.9
195.11693	0.8
197.09721	1.0
199.11253	1.5
201.05661	0.8
201.09238	0.9
203.10678	1.4
205.12340	1.5
207.13887	1.1
209.13338	1.5
211.13307	42.8
213.05557	1.9
213.12863	1.7
217.12257	0.7
223.13347	1.4
225.12842	1.2
226.35857	0.7
227.12708	4.4
229.12308	1.0
229.14354	1.2
231.13808	0.9
233.15451	1.2
235.13367	2.9
237.12843	0.8
239.14458	1.1
245.15443	1.7
247.13274	1.0
249.15021	2.7
255.13889	2.0
257.15720	0.8
259.13309	1.6
267.15955	10.8
271.13550	1.0
273.14865	8.4
277.14471	1.4
283.13306	2.1
283.15875	1.1
285.17151	6.2
289.14423	1.8
291.15958	1.8
301.14359	10.3
303.16132	0.9
313.16443	1.0
315.15924	0.9
319.15482	6.8
323.16321	0.7
337.17105	3.9
349.21799	0.9
355.17569	2.7
367.22754	2.1
375.17963	4.6
383.11578	0.8
385.23969	2.7
393.19070	2.5
403.24887	1.7
411.20154	1.9
429.19376	1.4
459.27640	6.3
477.28586	4.4
493.26556	1.1
495.29794	6.2
501.28622	0.9
511.26849	1.2
529.28052	0.8
539.30078	1.4
543.29816	1.0
557.31415	1.1
567.29517	1.6
573.30725	2.5
585.30530	7.5
603.31708	7.5
621.32751	48.3
622.32965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59960	6.1
53.03944	15.5
55.01858	11.3
55.05305	5.5
55.05513	59.1
56.96549	10.2
57.03413	12.9
58.70641	7.1
63.13564	6.5
67.05510	93.2
69.03419	36.3
69.07052	24.7
69.71050	34.4
71.01340	6.7
71.04989	10.6
79.05498	76.6
81.03428	98.2
81.07061	92.8
83.04977	27.6
83.08641	33.2
83.15121	7.1
85.02897	19.9
85.17334	7.2
91.05484	81.2
93.07046	60.9
95.04958	23.6
95.08620	31.8
97.02873	23.6
97.06532	30.4
97.10203	39.4
99.04421	12.4
103.05468	10.4
105.07028	47.7
107.04942	21.5
107.08607	46.2
108.90999	6.2
109.02879	17.5
109.06467	10.1
109.10130	19.7
111.04448	20.2
111.08104	10.5
117.07069	52.7
119.04928	12.5
119.08592	35.2
121.06485	11.8
121.10148	23.5
123.08061	11.6
125.09671	37.6
126.83686	6.3
127.03920	16.9
128.06245	9.3
129.07031	38.3
131.08603	40.4
133.06468	8.7
133.10170	11.6
135.08055	16.7
135.11681	14.7
137.05913	9.1
141.06981	14.3
142.07722	8.4
143.08539	14.9
145.06447	15.9
145.10130	22.3
147.04385	23.8
147.08008	13.7
147.11655	22.4
149.09671	11.1
155.08600	10.8
157.06570	10.9
157.10175	20.1
159.11707	11.5
163.03979	11.6
163.11162	18.5
167.08557	12.6
169.10104	11.8
171.11664	9.6
173.04475	17.4
173.09602	9.6
173.11696	6.5
175.11110	9.5
177.05510	7.6
177.12694	10.6
189.11214	22.4
191.10547	7.5
193.12248	11.2
197.13380	9.0
209.11636	13.7
215.14334	43.7
227.12732	28.5
287.05600	9.3
349.21719	8.4
355.15613	11.8
367.22684	24.3
385.23572	18.9
429.18475	8.4
441.26297	59.2
459.27609	100.0
477.28766	16.5
571.32458	7.9
603.31512	13.2
621.24670	7.2
621.32513	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01867	0.4
55.05522	1.5
56.05038	3.2
57.03443	0.3
61.02924	0.3
61.40180	0.2
67.05505	1.4
68.99805	0.2
69.03429	1.2
69.07078	1.0
69.27376	1.7
69.27782	0.4
70.06588	0.5
73.08043	0.2
79.05497	0.9
81.03423	2.6
81.07060	1.5
82.06570	0.5
83.08640	0.8
84.08150	100.0
85.02921	1.7
85.06548	0.3
85.08468	0.3
86.09703	0.5
87.00834	0.5
91.05470	1.1
93.07041	1.0
95.04981	0.8
95.08623	0.7
97.02895	0.8
97.06541	0.9
97.10184	0.6
99.04482	0.3
101.10802	0.3
105.07038	0.9
107.04974	0.6
107.08598	0.7
109.02890	0.7
109.10165	0.5
110.06070	0.4
111.04446	0.3
111.08123	0.3
112.07635	0.4
115.05527	0.3
117.07021	0.4
119.08598	0.6
121.06546	0.4
121.10130	0.3
127.03926	1.4
128.07068	1.5
129.06978	0.5
129.10236	1.8
130.07684	0.5
130.08653	8.5
131.08618	0.3
132.89555	0.2
133.10114	0.3
135.04483	0.3
137.06015	0.3
137.09593	0.3
147.04489	0.4
147.11290	3.4
157.10187	0.3
159.03004	0.2
163.03917	1.0
164.04381	0.3
173.02324	0.3
173.05965	0.3
176.10710	0.6
177.05356	0.2
185.05922	0.3
187.03868	0.3
193.12225	0.3
195.55922	0.2
199.03963	0.3
199.07666	0.3
211.13318	0.3
213.05435	0.7
215.07158	0.3
217.04906	0.4
225.05499	0.4
226.43222	0.3
229.05171	0.2
254.97334	0.2
259.09653	0.6
287.05545	0.7
300.05911	0.3
310.27417	5.3
311.12970	0.3
315.08585	0.8
319.15274	0.2
337.14468	1.3
355.15485	0.8
355.29510	0.3
373.30634	48.8
374.30893	0.9
411.18048	0.3
415.31592	0.6
419.32599	1.0
429.19223	0.4
463.31567	0.7
567.32343	0.5
577.18695	0.8
603.29419	0.4
621.18182	1.3
621.36255	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	621.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.0
55.05506	15.9
57.03436	22.3
57.07079	30.7
67.05506	64.5
67.24365	4.2
69.07079	22.0
71.08636	28.4
71.55285	6.4
79.05501	30.7
81.07049	40.5
83.04968	7.3
83.08611	14.4
85.06554	16.3
85.10175	11.1
91.05491	30.9
93.07072	30.7
95.04964	49.0
95.08630	41.5
97.06516	6.8
105.07060	22.1
107.04975	10.3
107.08589	19.7
109.06530	63.4
109.10166	17.1
113.06023	29.0
117.07009	15.8
119.08559	16.2
121.06484	7.2
121.10141	14.8
123.11724	7.4
129.80167	4.6
131.08545	19.2
133.10123	12.2
135.08066	44.2
135.11682	8.5
143.08537	9.4
145.10118	9.9
147.08061	6.1
147.11626	8.2
149.09608	6.2
157.10141	6.7
159.07988	4.6
159.11766	5.9
163.11198	6.8
166.30965	4.8
217.15846	15.3
273.18585	39.5
291.19574	100.0
313.27341	47.8
338.80917	4.2
339.56088	4.4
365.23193	14.9
447.21503	5.1
453.00546	5.2
487.47498	4.6
533.25372	7.6
561.25354	22.3
585.45074	6.1
603.46179	41.6
621.26941	42.5
621.45752	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	622.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
51.02369	0.7
52.78625	0.3
53.03952	2.1
54.43273	0.4
55.01876	0.6
57.03438	0.8
63.02383	0.5
63.79921	0.4
65.03960	0.6
67.05503	0.5
69.03080	0.5
69.03432	7.4
69.78861	0.4
70.06563	0.7
71.04985	0.9
71.05547	0.4
71.05878	0.9
72.46780	0.4
73.02879	0.5
78.03459	12.4
79.05482	1.2
80.05022	2.5
81.03422	14.4
83.04984	1.5
84.91422	0.3
85.02433	0.5
85.02909	5.4
88.57500	0.4
89.03917	6.7
93.03445	0.5
95.04967	0.5
96.04502	3.1
97.02897	5.2
99.04438	2.7
106.02921	51.6
107.04986	1.8
109.02127	0.6
109.02888	11.0
111.04452	1.2
117.02610	0.6
117.03382	7.1
124.03958	100.0
125.04203	0.6
127.03917	5.5
135.04422	17.2
137.05969	0.9
139.03891	1.6
145.01749	0.8
145.02852	12.2
145.03999	0.6
151.93054	0.4
163.03911	79.6
164.04253	0.6
166.05013	0.8
177.00854	0.4
196.06050	0.5
207.59599	0.4
208.06084	0.5
232.06108	0.6
250.07111	21.1
268.08167	51.7
269.08530	0.5
296.46909	0.4
337.09262	3.1
430.11359	73.0
431.11356	1.0
604.16547	3.0
622.17328	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	623.1975
Annotation	Pectolinarin
Peak:m/z	Relative Intensity
51.97207	0.1
56.96579	0.1
59.46523	0.1
69.34666	0.4
69.35088	0.6
81.03439	0.1
81.07053	0.1
97.29762	0.1
98.97574	0.1
105.07065	0.1
107.08588	0.2
124.03973	0.1
137.08521	0.1
145.91106	0.1
148.05217	0.2
148.77678	0.1
153.01837	0.2
163.03928	0.2
167.03398	0.3
229.04951	2.1
257.04468	4.1
272.06799	9.5
283.06088	0.2
285.03983	0.6
299.05505	1.4
300.06305	38.6
301.06583	0.7
315.08633	100.0
316.09018	1.7
432.81555	0.1
470.54749	0.1
595.98901	0.1
623.19696	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	623.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01865	0.9
55.05520	0.6
56.96563	0.7
57.03422	0.7
58.59904	0.4
65.03942	4.2
67.05496	1.5
67.44438	0.5
68.99800	0.4
69.03445	2.6
69.07075	0.8
70.06593	1.8
70.87775	0.5
71.04988	0.5
71.56190	0.4
79.05493	2.2
81.03425	7.3
81.07056	1.9
84.08137	0.8
85.02910	2.7
91.05482	3.3
93.07046	1.0
94.04199	1.8
95.04980	4.3
95.08607	0.8
97.02908	3.9
97.06532	1.9
99.04489	1.0
103.05474	1.6
105.07042	4.4
106.31409	0.5
107.04966	0.7
107.08611	0.6
109.02884	3.9
109.06537	1.4
109.10134	0.6
111.04467	2.2
115.05487	3.0
117.07059	1.3
119.04932	0.6
119.08571	2.2
121.02883	100.0
121.10191	0.5
122.03735	4.4
127.03932	2.0
128.06229	1.5
129.07004	1.4
131.04941	1.4
131.08568	0.5
132.05696	1.0
133.06540	2.8
133.10156	0.6
135.04440	0.6
137.05995	58.9
139.03903	8.0
141.80585	0.4
142.01207	0.5
145.04901	0.6
147.04427	1.6
147.08081	1.8
149.05949	1.1
151.03976	0.9
153.01831	0.6
156.05696	0.5
157.06557	0.5
159.08110	1.4
160.05205	1.1
161.06010	8.8
162.51741	0.5
163.03906	1.8
163.07600	1.5
165.07043	0.9
169.06490	0.5
172.05194	1.0
173.02481	0.9
173.04631	0.5
175.07573	20.0
179.07056	0.9
184.05209	0.6
187.07600	5.8
189.07126	0.6
190.07777	1.7
191.08571	4.3
199.07631	4.7
202.07823	3.0
203.08609	4.2
205.06506	0.7
215.07117	0.9
217.08638	0.6
218.07346	0.8
219.08075	6.2
220.08861	1.5
221.09773	0.5
228.10184	0.9
230.07320	0.6
231.08113	4.5
232.08937	1.3
235.07695	0.5
235.11275	0.8
236.08406	0.8
237.09233	0.7
247.07642	3.3
248.08252	2.3
249.09164	0.6
251.10684	7.0
253.08823	0.6
259.07562	2.3
259.09924	1.0
260.08313	1.3
261.09280	0.9
263.10721	3.3
264.07858	0.8
265.07007	8.0
274.62317	0.5
276.07867	1.7
277.08725	1.7
279.10178	5.2
283.08286	1.6
286.04947	0.6
287.05545	0.7
291.10147	8.4
292.11047	1.7
295.13333	0.5
296.10419	0.7
311.12808	13.9
314.00546	0.5
315.08850	0.9
323.09045	0.4
323.12820	9.8
341.13748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32842	0.8
58.99870	1.0
68.06263	0.8
70.82999	2.2
71.25982	1.0
80.03191	0.9
84.03017	1.3
84.08154	2.3
98.21407	1.0
100.02501	2.0
101.00886	3.7
102.04045	2.4
108.02998	1.4
112.02409	1.2
115.02415	1.1
116.05590	3.2
118.03510	4.3
119.01958	6.0
123.04102	1.8
124.02460	2.3
126.04028	10.2
127.02429	1.2
127.07162	3.2
128.05557	2.6
129.03981	1.1
130.03500	1.0
131.01924	1.6
132.05072	2.2
134.06621	1.4
136.04585	1.8
141.05081	3.0
142.03500	8.0
142.07129	5.0
143.01889	6.5
143.06625	1.5
144.05081	26.6
144.08681	1.5
145.03458	3.8
150.06078	1.2
151.12326	1.4
153.08815	1.1
155.01880	5.1
157.03493	1.7
159.06175	1.7
160.04543	4.2
160.08142	2.0
161.02983	4.8
162.06129	1.8
165.08722	1.3
167.01921	2.8
168.08676	3.4
169.03380	1.1
169.04681	1.2
169.11905	2.1
170.06627	3.3
171.05006	1.6
172.08122	0.9
173.02991	6.5
179.01884	2.1
182.10146	1.2
183.09834	4.4
184.04520	1.3
184.08185	5.0
185.02968	12.3
186.09779	10.0
187.05666	2.8
187.12910	1.8
188.07607	1.1
191.10298	1.8
193.11880	27.1
196.08246	2.5
197.03023	4.5
198.09744	2.5
200.11333	2.1
201.14590	1.0
202.09271	1.3
203.03983	1.9
204.10832	5.6
207.09781	3.4
209.11388	17.2
210.09789	3.4
211.12933	43.0
212.07664	3.9
214.09233	3.0
215.03958	2.0
216.10791	1.5
218.12430	1.5
223.09250	1.1
225.10847	1.7
227.04031	2.0
227.10210	1.2
227.12440	25.1
228.10779	1.6
229.14009	10.8
230.05034	3.3
230.08702	3.3
237.10851	4.8
242.05113	1.1
242.08853	1.3
245.05089	26.3
246.05373	1.1
253.10371	2.6
255.11916	58.0
257.05084	1.0
263.06128	2.2
263.08652	1.1
272.06390	1.8
272.09799	5.1
273.12982	31.6
275.06100	3.2
278.13699	1.1
281.09805	7.0
297.13107	5.0
299.10898	100.0
300.11090	1.6
305.07120	4.3
309.12921	1.3
314.07166	4.7
314.10825	5.0
317.11942	11.0
322.12775	1.2
332.08154	2.9
332.11935	4.3
335.08356	1.2
341.11960	86.8
342.12109	1.8
353.11908	12.2
365.08783	1.6
365.12415	1.6
371.13046	10.1
374.09238	1.1
383.13165	1.8
395.12918	2.5
399.15973	2.0
401.09006	1.5
401.14081	25.1
407.12860	1.0
413.13873	1.4
425.13885	4.4
443.15155	20.6
461.10394	1.2
461.16318	21.0
494.17441	11.0
533.18933	1.0
623.21527	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79321	0.4
70.79651	0.9
73.65976	0.4
97.73586	0.4
148.79524	0.5
165.32532	0.4
179.95746	0.4
191.76465	0.4
221.85045	0.5
223.12395	0.5
234.07237	0.4
239.15349	0.7
276.30371	0.5
362.15851	0.4
376.16937	0.7
377.17822	1.0
378.18832	0.7
389.18030	1.2
390.18262	1.1
391.19226	2.4
392.19989	2.5
393.20844	1.3
399.16107	0.7
400.16861	0.7
401.17715	0.7
404.20410	1.0
405.21024	3.1
406.21588	3.1
407.22345	8.4
413.17828	0.7
414.18469	0.9
415.19376	2.4
416.20197	0.7
417.21414	0.6
418.21667	0.5
419.22614	1.3
420.23215	1.1
421.23917	7.5
422.24820	1.9
427.19559	0.8
428.20203	1.3
429.20837	4.2
430.21872	0.9
431.23047	0.7
432.19583	0.9
433.19702	0.7
433.24014	1.7
442.21756	0.7
443.22772	2.5
444.23615	0.9
445.20450	1.4
447.18201	1.4
452.21954	0.6
455.18634	0.6
456.19254	0.8
457.19073	0.6
457.24677	0.9
458.24667	1.6
459.22495	2.9
460.22629	1.3
461.18900	3.4
462.20685	0.8
463.21274	0.8
470.21078	0.7
471.22421	0.7
472.22614	1.6
473.24197	0.7
474.20425	1.2
475.21320	4.8
476.21722	3.5
477.22922	2.8
478.23575	0.6
485.23886	4.2
486.20047	1.3
486.24969	0.8
487.21271	0.6
488.22244	0.8
489.23068	2.7
493.25909	0.8
497.23248	0.6
499.21411	3.4
500.22275	1.5
502.23102	0.7
503.24683	6.3
504.25574	1.0
507.24213	0.7
513.22937	1.5
514.23444	0.5
515.24274	0.8
517.26807	2.1
521.25287	1.1
535.27173	4.4
545.25531	21.4
546.25952	0.8
547.26709	0.5
563.26465	1.7
564.27399	1.6
573.25067	5.9
577.28296	1.5
591.25818	2.8
605.17676	0.8
605.27582	17.3
606.28247	0.9
623.28693	100.0
624.29059	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73761	0.7
61.17444	0.5
66.55250	0.5
69.69128	3.2
81.08570	0.5
96.64060	0.5
98.21475	1.1
123.63956	0.5
131.70329	0.6
157.05750	0.6
213.02737	0.5
230.15097	0.6
237.13789	0.8
301.95981	0.6
376.17291	0.6
377.17535	0.8
378.18494	0.9
389.18152	1.0
390.18854	0.9
391.19186	2.6
392.19946	2.8
393.20749	1.8
399.15936	0.9
400.16891	1.1
401.18002	1.3
403.19553	1.0
404.20419	1.2
405.20987	3.3
406.21509	3.5
407.22336	9.9
413.17725	0.7
414.18427	2.0
415.19385	3.1
416.20087	0.9
417.21429	1.0
419.22891	1.0
420.23041	1.3
421.23859	9.8
422.24698	2.0
427.19321	2.0
428.20016	2.1
429.20941	9.0
430.21753	1.9
431.22778	0.7
433.24039	1.9
434.24597	0.9
442.21909	0.7
443.22595	6.6
444.23495	4.5
445.20078	1.6
447.17535	1.0
449.23077	1.1
456.19403	0.9
457.23782	3.2
458.25024	5.3
459.21698	7.1
460.22479	1.7
461.18958	3.4
462.20200	1.3
463.20993	1.0
470.21005	1.3
471.22223	0.8
472.22592	7.1
473.23328	2.0
474.20535	0.9
475.21182	5.4
476.21860	5.0
477.23001	4.2
485.16891	0.8
485.23511	13.4
486.20285	2.6
486.24310	2.5
487.20926	1.0
488.22122	2.1
489.22723	2.9
497.23679	0.9
499.21237	4.2
500.22263	2.1
501.22946	0.7
502.23746	1.7
503.24585	8.6
504.24326	0.8
507.24124	1.0
508.28433	1.0
513.22858	4.2
514.23584	1.6
515.24792	1.2
517.26392	8.2
521.25507	1.3
529.26007	2.1
530.23541	0.7
535.27148	6.3
545.25531	90.1
546.25830	2.5
563.26135	1.0
564.27441	2.0
573.24939	17.9
591.25958	2.0
605.27606	100.0
606.27545	2.1
623.28662	90.7
624.28717	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41795	0.2
62.41582	0.2
67.05505	0.2
70.78954	0.6
81.53537	0.2
86.98273	0.2
152.56802	0.2
155.04039	0.2
183.09262	0.2
194.09744	0.2
223.12297	0.3
227.72380	0.3
235.12366	0.3
258.42801	0.2
376.17206	0.3
377.17905	0.5
387.16220	0.2
388.17227	0.3
389.17801	0.8
390.18457	0.4
391.19186	1.0
392.19885	0.6
393.20572	0.3
399.15918	0.2
400.17313	0.3
401.17850	0.9
402.18460	0.9
403.14716	0.3
403.19611	1.6
404.20450	1.0
405.16132	0.3
405.21204	1.9
406.21713	0.5
407.22437	0.9
413.17963	0.3
415.19543	1.5
416.20267	0.5
417.16702	0.7
417.21689	1.9
418.17780	0.8
418.22357	0.3
419.17694	0.4
419.22922	3.1
420.23184	0.7
421.24075	0.4
429.20810	0.9
430.17010	1.5
430.22702	0.4
431.17776	2.4
431.23029	1.1
432.19342	1.0
432.23669	0.8
433.20181	5.4
434.21127	0.8
435.21771	0.8
442.17740	0.3
443.18436	1.6
444.19028	2.0
445.19885	3.5
446.21255	2.0
447.21841	3.5
447.26895	0.3
448.23279	1.2
449.23804	0.3
457.20355	0.7
458.20944	5.2
458.26608	0.3
459.21786	4.4
460.22769	3.7
461.19278	0.4
461.24213	0.4
462.20453	0.7
463.21210	2.3
465.23206	0.3
472.22452	0.5
473.23413	0.8
475.21329	0.8
476.21747	1.0
477.22812	1.8
478.23904	0.3
479.24054	0.3
486.24582	0.5
489.23975	0.5
490.23712	0.5
491.24652	0.4
501.22763	0.3
503.24423	0.8
504.25168	0.6
505.22293	0.6
507.20688	0.3
507.27740	0.4
517.22736	0.8
518.23114	4.3
519.24225	0.4
521.21857	1.2
530.23529	0.4
531.23859	0.8
533.25629	6.1
534.25891	0.5
535.26746	1.5
545.25586	2.8
546.26385	1.0
562.25836	0.4
563.26514	4.2
564.27179	0.5
573.25043	0.9
577.28558	0.7
590.25732	0.4
591.26135	0.6
593.27576	0.3
605.17603	0.4
605.27612	9.8
623.28674	100.0
624.29181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92317	0.3
52.72440	0.3
55.05523	0.5
57.77961	0.4
67.05506	0.9
69.07066	0.6
69.58538	2.3
77.66585	0.4
79.05492	0.8
81.07057	0.9
91.05461	0.7
93.07047	0.5
105.07035	0.6
106.70367	0.4
107.08617	0.4
119.08573	0.5
138.16400	0.3
140.07065	0.4
162.71315	0.4
225.13878	0.6
236.79225	0.4
237.14006	0.5
257.72595	0.4
352.14417	0.4
375.16098	0.4
376.17374	0.4
377.17749	0.5
388.17706	0.6
389.18301	0.6
390.18570	1.0
391.19342	1.1
392.19940	0.4
401.17459	0.5
403.19632	0.5
404.15897	0.5
404.20599	0.6
405.20944	2.6
406.19836	0.4
414.18851	0.6
415.19498	0.8
416.20053	0.7
417.21240	1.0
418.17862	1.3
419.18542	1.4
420.23196	1.4
421.24194	0.9
428.20483	0.4
429.21072	2.4
430.21793	0.7
431.18347	0.6
433.19812	3.6
434.21036	0.7
435.22046	0.5
443.22397	1.5
444.23615	0.9
445.20398	1.3
447.17737	7.1
448.22833	3.4
449.23355	2.3
452.22113	0.6
456.19824	0.5
457.24530	0.7
458.25195	0.9
459.21817	2.8
460.22528	1.3
461.19446	6.9
462.20374	1.1
463.21442	0.6
472.22754	2.0
473.23279	1.6
475.20908	1.8
476.22055	20.5
477.22763	3.0
479.21054	1.0
485.23633	3.1
487.25363	2.0
489.20560	0.6
503.24625	2.9
505.22449	0.6
515.24170	1.5
517.26245	1.2
518.22821	0.6
519.23828	1.0
521.25519	1.6
531.23938	4.9
532.25183	0.5
533.37738	0.8
535.24725	1.4
536.23901	1.5
545.25500	10.9
546.25867	0.7
547.26880	0.7
549.24524	1.8
559.23352	1.6
563.26294	9.3
564.27338	1.0
591.26038	8.3
605.27673	2.4
608.26495	0.6
623.28613	100.0
624.29138	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.6
61.77757	0.3
67.05511	1.5
69.47352	0.9
69.47780	1.1
73.61124	0.3
79.05512	0.8
81.03420	0.3
81.07069	1.1
90.90164	0.3
91.05499	1.2
93.07054	1.2
95.05018	0.3
95.08646	0.7
97.10226	0.3
105.07087	0.8
106.06580	0.5
107.04997	0.4
107.08639	0.5
109.10180	0.4
110.06123	0.3
117.07068	0.4
119.08609	1.0
121.10143	0.6
129.06990	0.4
131.08562	0.3
133.06473	0.3
133.10176	0.4
145.10168	0.3
147.11708	0.3
147.42973	0.3
156.00632	0.3
157.10187	0.4
159.08092	0.4
163.14694	0.3
173.09636	0.5
183.09219	0.3
202.96548	0.3
209.10806	0.4
211.12401	0.4
223.12379	0.5
225.10178	0.4
225.13864	0.6
237.10413	0.5
249.10213	0.6
263.11966	0.6
271.17093	0.5
275.20251	0.3
298.56793	0.3
299.13870	0.4
311.14294	0.3
327.13693	0.4
328.14890	0.4
335.25613	0.3
337.11981	0.3
342.15952	0.3
368.17847	0.3
375.16171	0.6
376.16882	0.5
377.17847	0.4
389.17807	0.7
390.18430	0.8
391.19437	1.6
392.19977	0.8
393.20911	0.5
400.16592	0.4
401.17642	0.5
402.18616	0.6
403.14883	0.5
403.19391	1.2
404.15683	0.5
404.20148	1.0
405.16928	1.1
405.21680	2.3
406.21573	1.1
407.22513	1.3
415.15170	0.4
416.20197	0.6
417.17194	1.5
417.21359	0.9
418.17847	1.0
419.18536	2.0
419.22522	2.2
420.19461	0.8
421.24356	2.3
429.16669	0.6
431.17844	1.8
432.18912	1.4
433.20074	3.9
434.21014	1.5
435.21915	1.2
443.18494	0.5
444.19595	0.7
445.20319	3.0
446.21442	1.4
447.22742	3.7
448.23138	1.6
449.23511	5.5
450.23822	0.6
457.20313	0.9
458.20782	1.6
459.21979	3.2
460.22794	0.5
461.18674	2.3
462.20609	1.2
463.21149	1.9
473.23276	0.3
475.20486	1.7
476.21991	5.7
477.22964	4.7
478.23553	0.6
489.23254	2.6
490.23508	0.6
491.20984	0.6
493.22577	0.5
503.24478	1.3
505.22250	0.7
507.23526	0.3
519.24365	1.0
521.22430	1.2
531.23730	0.6
533.25629	3.6
535.27704	3.8
545.25531	1.7
547.27661	0.8
548.24097	0.6
563.26611	18.7
564.26825	1.0
591.26056	1.0
593.27551	0.5
595.29102	0.9
605.27716	3.3
606.28412	2.9
623.28711	100.0
624.28912	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08160	0.4
53.26926	0.3
55.05508	1.1
57.98283	0.3
67.05502	1.5
69.03452	0.3
69.07068	0.6
69.37559	0.5
69.37962	2.4
76.21207	0.3
77.41216	0.3
79.05488	1.1
81.07049	1.4
83.04979	0.4
91.05469	0.7
93.07056	1.4
94.45258	0.4
95.04971	0.4
95.08592	1.1
105.06995	0.8
107.08591	0.6
117.07010	0.6
119.08598	0.7
130.12859	0.4
131.08583	0.5
145.06554	0.7
145.10138	0.5
147.11717	0.5
189.11174	0.6
234.13347	0.3
244.98050	0.4
271.17084	1.2
279.13571	0.4
285.93118	0.3
289.18021	0.8
336.14633	0.3
375.16125	0.9
377.17987	0.6
378.68155	0.4
388.17209	0.4
389.17596	3.3
390.18634	1.3
391.19247	3.4
401.17755	0.4
402.18671	0.8
403.14725	0.5
403.19589	3.0
404.19995	1.5
405.20804	9.1
406.21490	1.1
416.20145	1.0
417.16592	6.5
418.17380	2.9
419.18564	3.5
431.18405	6.1
432.19373	8.1
432.24716	0.6
433.20154	9.0
434.21283	0.8
444.19070	0.6
445.20789	2.4
446.21500	0.7
449.23370	1.2
459.22293	1.8
461.19043	2.3
462.20374	1.2
463.21515	2.2
464.22366	0.6
475.21402	1.3
476.22275	4.0
477.23505	4.3
478.23737	0.4
489.23026	1.7
491.24332	1.1
503.24780	0.7
519.23944	22.7
520.24127	0.6
521.21448	0.6
545.25134	0.6
551.26965	0.4
563.26538	13.7
564.27338	0.6
579.26025	5.0
591.26135	0.5
605.27527	0.4
623.28644	100.0
624.28955	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54085	0.3
69.28770	0.4
70.66804	0.8
70.67155	0.5
75.31541	0.3
76.44611	0.4
79.05510	0.6
81.07067	0.7
91.05475	0.5
93.07020	0.7
95.08600	0.5
96.29362	0.4
105.07056	0.6
121.10145	0.5
154.11658	0.4
203.88177	0.5
223.12260	0.6
237.10138	0.4
389.17834	0.5
390.18253	0.5
399.16104	0.4
400.16788	0.4
401.17456	0.4
403.19598	0.9
404.20401	0.9
405.20847	0.8
413.17865	1.0
414.18472	1.2
415.19232	1.8
416.19885	1.4
418.22052	0.7
419.17947	0.9
419.22565	1.1
427.19693	0.8
428.20422	0.9
429.20956	6.2
430.21924	0.7
431.18759	1.2
432.19229	0.6
433.24854	1.9
434.20801	1.0
435.22037	0.5
443.22607	3.6
444.23828	2.7
445.24283	1.3
447.22473	2.3
448.22498	0.7
449.23843	0.8
456.19659	0.7
457.19922	1.4
457.24756	0.9
458.25082	2.5
459.21478	4.1
460.23132	2.0
461.18692	1.0
461.23566	2.3
462.20392	2.3
463.21225	0.8
470.20816	0.7
471.05927	0.5
471.22147	0.8
472.22662	3.6
473.23761	2.5
474.24680	0.5
475.21246	1.4
476.21863	2.2
477.22809	3.5
485.23453	5.9
486.24115	1.4
487.25323	3.8
489.22775	1.1
502.24057	0.7
503.24588	2.4
504.26038	0.6
505.21640	0.5
517.26019	4.6
520.24939	0.9
521.21338	0.7
531.23956	3.9
532.24811	0.8
535.25928	0.9
536.23907	0.7
545.25500	46.4
546.26245	1.7
548.23438	0.6
563.26306	12.9
564.26379	0.7
577.28192	0.7
591.26007	0.6
595.28571	0.5
605.27625	4.5
623.28589	100.0
624.29041	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51842	0.2
55.05510	0.5
57.07072	0.3
64.43650	0.3
67.05499	0.7
69.07078	0.5
70.24200	0.8
79.05502	0.7
81.03403	0.3
81.07056	0.9
81.41582	0.3
91.05504	0.5
93.07053	0.3
95.06889	0.3
95.08594	0.5
105.07046	0.3
107.08593	0.5
109.10172	0.4
117.07009	0.3
119.08553	0.3
121.10127	0.3
145.10185	0.5
148.86111	0.2
169.10147	0.2
268.81253	0.3
289.17139	0.3
314.16580	0.3
324.15091	0.4
376.17487	0.4
387.16348	0.3
388.16809	0.4
389.17737	1.3
390.18695	0.6
391.19199	0.7
401.17880	1.0
402.18561	0.9
403.14957	0.3
403.19513	1.8
404.20450	1.2
405.20789	1.6
415.19583	1.4
416.15558	0.4
416.20117	1.1
417.17020	1.7
417.21912	2.2
418.17395	0.5
418.22290	0.5
419.22641	5.2
428.16431	0.7
429.16275	1.3
429.21957	0.4
430.16937	1.2
431.18726	4.2
431.22940	2.2
432.19147	1.7
433.20151	2.7
435.21790	1.0
442.18048	0.5
443.18576	3.5
444.18958	1.3
445.20093	9.5
446.20981	5.4
447.22113	5.9
448.22961	0.4
449.23737	1.7
450.24295	0.5
457.20105	1.2
458.21140	1.0
459.22000	3.4
460.22528	0.5
461.18951	1.3
462.20218	1.9
463.21353	2.5
473.23428	1.1
475.20959	1.8
476.22089	5.6
477.22983	7.6
489.22937	2.3
490.23764	0.9
491.20102	0.6
491.25555	0.3
501.23331	0.6
503.24490	0.6
505.22195	0.8
505.26813	0.8
507.23962	0.3
508.24838	0.5
517.22119	0.4
518.23071	0.7
521.21307	1.3
523.27002	0.3
531.24127	0.5
532.24475	0.6
533.25525	14.8
534.25189	0.3
535.23987	0.6
545.25342	1.2
548.24554	0.4
549.25775	0.3
561.25049	0.6
563.26575	16.4
564.27209	0.7
591.25366	0.5
592.26178	0.4
593.27454	4.0
595.28961	0.3
605.27472	1.2
623.28674	100.0
624.29028	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	623.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62106	2.8
52.79173	2.9
53.03941	6.9
54.15613	2.7
55.05511	28.9
57.03434	7.5
57.07069	6.5
57.97122	3.1
61.02914	5.7
67.05512	26.0
67.13394	2.9
68.20395	2.9
69.03428	19.5
69.06779	3.2
69.07077	33.7
71.04983	9.5
71.08603	4.1
79.05501	30.1
81.03432	15.4
81.07062	100.0
83.04998	18.6
83.08633	15.9
84.08147	95.5
85.02908	37.6
85.06544	8.9
85.08484	17.4
87.00823	12.0
91.05470	21.8
93.07051	52.0
95.04978	16.3
95.08614	64.9
97.02905	10.2
97.06538	26.3
97.10175	21.7
98.20709	7.6
99.04435	6.6
99.08056	3.6
105.01846	11.1
105.07029	41.4
107.04967	4.7
107.08607	42.2
109.02872	13.6
109.06503	11.4
109.10167	32.6
111.04379	3.2
111.08098	9.5
111.11732	4.5
113.09621	3.2
115.30545	2.8
117.07006	5.6
119.08591	32.0
121.10149	40.8
123.11732	17.9
125.09641	6.2
127.03917	19.0
127.07549	10.5
128.04153	3.0
130.08641	8.0
131.08565	11.0
133.10143	25.4
135.08037	4.0
135.11673	24.6
137.09621	5.8
137.13269	14.8
139.11163	6.9
143.08517	3.9
145.04955	9.1
145.08624	3.4
145.10118	17.1
147.11711	36.5
149.09616	5.4
149.13226	10.7
153.12796	4.9
157.10118	3.9
157.12222	5.1
159.11650	17.8
161.13274	14.7
163.03883	8.4
163.11130	4.3
163.14799	3.9
165.12817	3.4
171.11662	4.3
173.13287	5.2
175.11206	4.1
175.14803	4.1
177.12801	5.8
177.16408	7.1
183.13826	3.8
187.14862	5.6
193.12312	5.1
195.17458	11.9
201.14810	7.1
205.15819	5.3
213.18437	7.4
215.17958	3.5
229.52225	3.0
237.18282	5.9
257.22726	9.1
259.09567	4.0
261.21976	4.6
267.21030	4.0
273.86694	3.4
275.23743	14.2
285.22113	11.3
287.05444	4.9
291.23123	9.2
293.24802	6.0
301.06998	6.9
303.23206	89.1
309.24176	9.4
321.24246	65.3
339.25449	23.6
357.26083	6.8
373.30673	15.5
374.31219	16.5
375.27112	4.9
375.31155	20.2
478.96127	3.3
524.70215	3.4
623.35602	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	623.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01874	3.7
55.05519	18.3
57.03444	9.0
61.02650	2.0
61.02934	26.5
63.24492	1.2
65.03938	2.9
67.05180	2.4
67.05515	42.1
69.03445	8.6
69.07080	14.1
71.04987	4.5
71.55927	1.5
73.02927	6.4
75.18736	1.2
79.05064	2.0
79.05502	38.6
81.03436	12.1
81.07064	45.2
83.05002	5.9
83.08630	13.4
85.02428	1.9
85.02909	21.0
85.06564	2.5
91.03546	1.0
91.03976	10.1
91.05492	47.5
93.07053	29.6
95.04965	8.2
95.08620	21.1
97.02899	14.1
97.06554	8.7
97.10162	5.3
99.04456	2.1
103.05434	2.6
105.07043	31.8
107.04961	8.1
107.08611	14.2
109.02905	2.2
109.06504	3.6
109.10172	10.1
111.04485	1.4
111.08080	4.3
115.05460	3.9
116.06244	1.7
117.07030	25.9
119.04897	1.5
119.08586	20.4
121.06514	7.6
121.10165	11.0
123.08049	4.5
123.11706	1.7
125.09616	2.7
127.03905	3.5
128.06226	8.0
129.07022	35.9
130.07814	2.1
131.04893	2.1
131.07581	2.3
131.08578	38.9
133.06482	5.6
133.10132	13.6
135.08075	4.5
135.11696	4.6
137.06012	1.3
137.09637	2.1
139.11205	1.6
141.07016	16.7
142.07794	3.1
143.08577	25.7
145.06479	8.4
145.10138	19.5
147.04391	2.5
147.08052	6.1
147.11687	4.4
149.09618	7.3
149.13271	2.7
151.11217	1.6
153.07028	3.1
154.07828	1.8
155.08556	22.0
157.06503	4.1
157.10153	14.8
159.08069	5.2
159.11699	11.9
161.09645	3.3
161.13284	1.7
163.03926	2.0
163.07611	1.3
163.11165	2.8
165.06989	3.6
165.12715	1.5
166.07704	1.7
167.08601	11.1
169.10115	11.8
171.08115	2.7
171.11697	9.9
173.05922	1.9
173.09668	4.1
173.13283	3.1
175.11230	2.4
177.12720	3.1
178.07790	1.5
179.08553	5.3
181.10121	11.6
183.08147	1.9
183.11719	10.2
185.09616	3.9
185.13260	8.0
187.11171	4.0
187.14798	2.7
189.11234	1.8
189.12741	1.6
191.08640	1.8
193.10144	5.2
193.12198	2.0
195.11708	11.1
197.09595	1.8
197.13272	7.5
199.14853	3.4
201.12794	1.9
203.14349	1.7
205.10089	2.4
207.11679	5.6
207.13463	1.3
208.96747	1.3
209.13243	5.5
211.11076	2.4
211.13078	2.2
211.14845	3.3
213.12738	3.7
213.16393	2.2
215.14297	5.8
218.38316	1.4
219.11624	2.0
219.13882	1.8
221.13344	7.4
221.15112	1.6
223.14853	7.2
225.12720	2.3
225.16484	1.5
227.14401	1.8
229.14149	2.7
229.16083	2.1
231.13850	1.6
231.17360	1.4
233.13263	1.8
235.14755	3.6
235.39340	1.3
237.12605	1.9
239.14293	5.5
241.16058	2.1
245.15466	2.4
251.14339	2.5
253.15948	3.0
255.17549	1.4
257.15323	2.8
271.16879	3.4
285.09912	1.6
285.18365	1.6
289.18066	1.8
303.19653	2.2
305.22189	1.6
314.00375	1.4
315.21002	3.1
323.23651	5.5
333.22083	12.8
335.31216	1.4
341.24860	8.8
351.23212	44.4
359.25815	1.6
369.20001	2.5
369.24310	34.2
387.25360	16.0
396.63165	1.3
407.25708	2.7
425.26990	8.4
433.29636	2.2
443.27979	100.0
444.28421	2.2
461.29083	60.4
461.53061	1.4
485.28772	2.6
587.32190	1.3
623.33514	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	625.177
Annotation	Nervilifordin B
Peak:m/z	Relative Intensity
51.82286	0.1
55.01857	0.2
57.03416	0.1
61.02914	0.2
69.03440	0.6
69.49841	0.3
69.50260	0.5
70.06567	0.1
71.05002	0.1
78.29663	0.1
81.03426	0.3
85.02521	0.1
85.02911	1.5
95.97536	0.1
97.02902	0.5
97.06512	0.1
108.77641	0.1
109.02872	0.2
112.28512	0.1
121.02880	0.1
121.79859	0.1
127.03888	0.4
145.04945	0.3
149.05984	0.2
151.03908	1.0
153.01830	0.7
163.03897	0.3
167.03584	0.1
171.02945	0.1
175.03831	0.2
193.05032	0.1
229.05116	0.1
258.05270	8.6
259.05716	0.2
286.04742	31.5
287.05048	0.4
301.07089	100.0
302.07446	1.5
399.14389	0.1
463.12393	10.0
464.12805	0.2
490.93417	0.1
625.17963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.177
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
61.54263	0.1
68.99817	0.1
69.03411	0.1
70.06578	0.2
71.15024	0.1
71.15364	0.1
81.03391	0.2
85.02885	0.3
98.97523	0.1
124.03949	0.2
125.73441	0.1
131.04832	0.1
134.03677	0.4
135.04402	0.2
137.02318	0.3
137.49373	0.1
139.03815	0.1
145.70551	0.1
152.01042	0.3
153.01834	0.8
157.82156	0.1
161.02318	0.2
163.03905	0.2
167.03418	0.3
170.02129	0.2
213.05380	0.2
214.46484	0.1
219.60085	0.1
229.04955	0.3
257.04437	0.2
258.05249	3.6
269.04459	0.3
285.03964	1.8
286.04727	33.6
287.05136	0.5
301.07074	100.0
302.07382	1.2
463.12378	26.5
464.12738	0.6
549.92297	0.1
625.17523	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	625.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03391	0.1
69.88573	0.3
70.06577	0.1
81.03381	0.1
83.01328	0.1
85.02903	0.1
86.81161	0.1
89.25106	0.1
98.97562	0.1
100.07457	0.1
124.01537	0.1
127.03908	0.1
134.03699	0.3
137.02338	0.1
147.04314	0.1
152.01035	0.1
153.01851	0.6
163.03868	0.1
167.03419	0.2
170.02087	0.1
213.05479	0.1
229.04897	0.2
257.04507	0.1
258.02457	0.1
258.05258	2.9
269.04416	0.3
285.03964	1.3
286.04733	28.1
287.05078	0.4
301.07077	100.0
302.07422	1.1
345.58154	0.1
407.17911	0.1
463.12384	20.5
464.12698	0.3
499.92175	0.1
625.18005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1765
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
56.96287	2.7
56.96568	45.6
59.10741	1.4
59.53208	1.2
60.10393	1.2
62.24454	1.0
71.54413	1.1
71.95284	1.3
72.96043	1.6
74.97638	1.3
76.41486	1.2
83.97636	2.2
84.08132	2.0
84.96046	1.6
94.92979	1.4
98.97594	32.0
110.97569	8.1
112.04450	1.3
116.07114	1.5
116.98646	11.5
119.01965	1.3
121.99179	5.6
124.00728	23.8
128.03822	3.4
128.08380	1.2
128.98634	5.7
134.99663	1.6
140.00204	56.6
140.98663	2.2
142.01779	85.8
143.00183	4.2
143.02069	1.2
144.05089	2.2
144.06868	1.6
146.04765	6.4
146.99641	3.0
157.03479	1.2
158.01276	40.1
158.99654	6.7
160.02840	44.2
161.01283	1.8
167.99728	7.7
170.04929	6.9
170.86948	1.4
170.99664	8.3
173.01378	1.8
176.02332	5.5
176.03673	1.1
177.00726	2.4
182.99701	6.6
183.04440	1.3
186.00768	38.5
187.02753	2.0
188.05988	8.9
188.09569	2.2
189.00713	5.0
193.06525	1.6
193.11885	2.2
194.04997	2.7
194.12112	1.6
195.08087	5.2
195.11574	6.0
201.00725	15.7
204.01825	41.3
211.07639	2.4
211.11176	2.9
211.13046	3.0
212.05980	5.8
212.13107	1.4
213.00797	1.9
213.09151	18.0
213.12585	7.8
219.01773	12.8
222.02832	8.3
228.12747	2.0
229.12228	3.6
230.07018	1.8
231.13780	1.7
232.04936	8.2
237.02882	3.9
238.03897	2.8
239.07150	4.5
239.10628	1.4
243.01903	6.4
245.05075	2.8
246.03036	7.7
246.05246	2.6
247.05026	5.5
255.11865	2.1
256.04904	4.8
256.12051	2.1
257.08139	31.9
257.11743	8.9
261.02841	30.6
262.06000	2.0
273.02866	2.2
273.13089	1.7
274.06049	7.4
274.13071	1.9
275.09180	22.6
275.12619	5.0
279.03918	10.8
283.06027	25.8
283.09109	2.2
284.04391	5.6
286.04752	6.1
288.03809	4.0
291.03876	5.0
299.09055	3.8
300.11060	4.5
301.07181	100.0
301.10724	20.9
302.05286	1.6
304.07202	3.0
305.77591	1.5
316.06989	1.8
318.05002	3.5
319.08194	1.6
319.11746	2.6
321.05118	13.4
324.08731	2.5
330.04999	4.8
333.04987	2.4
334.08102	6.4
334.11780	1.9
341.12097	3.2
342.12265	3.6
343.08118	8.7
343.11896	19.0
348.06061	6.8
351.06189	2.7
355.11935	1.7
373.09314	3.5
381.07367	4.3
390.06879	2.3
399.08081	2.5
401.12289	3.2
403.10129	5.2
403.14215	4.9
427.10092	1.6
428.04587	2.0
437.27750	1.2
445.10431	10.1
445.16336	2.8
463.12027	24.5
496.13379	80.8
497.14038	2.2
509.99316	1.6
510.11374	30.8
510.18860	2.1
581.18463	2.2
607.03625	1.3
625.05542	38.1
625.17615	27.4
626.05835	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	625.1774
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
50.05455	1.4
50.35211	1.4
51.78004	1.3
55.34422	1.3
56.96568	54.4
65.41042	1.5
71.54375	1.7
71.95285	1.4
72.96049	2.6
78.46720	1.4
83.97626	2.3
84.04517	1.5
84.96051	3.3
90.41351	1.5
98.97592	39.5
110.97588	11.1
112.00755	1.4
112.63042	1.4
116.98649	12.9
121.99152	6.5
124.00720	26.6
125.70266	1.4
128.98636	7.2
140.00198	67.9
140.98584	3.0
142.01778	98.0
143.00194	4.9
146.04907	1.9
146.99664	3.5
152.98566	2.2
158.01265	42.5
158.99699	8.7
160.02827	42.9
161.01201	2.3
167.99672	7.8
170.04895	8.3
170.99644	7.7
176.02333	4.7
177.00743	4.0
182.04863	1.8
182.99741	9.7
186.00764	53.9
188.05971	7.0
189.00729	7.7
194.04813	2.0
195.08121	7.1
201.00731	18.9
204.01811	46.2
211.07645	3.1
212.05956	7.8
213.09122	19.2
219.01768	20.9
222.02832	5.9
228.01884	3.2
230.06926	1.8
232.04941	8.7
237.02827	7.6
238.03899	2.2
239.06982	7.5
243.01758	8.9
246.02893	9.2
250.05759	1.8
256.04953	5.4
257.08115	39.1
261.02856	36.0
273.02875	2.7
274.05945	9.2
275.09140	30.3
279.03888	14.2
283.05972	27.7
284.04364	6.8
288.04007	3.4
291.03876	5.4
299.09213	5.9
301.07089	96.4
302.05481	5.4
304.07141	4.3
316.06958	3.6
318.04971	4.1
319.08148	1.9
321.04956	16.2
324.08713	1.8
329.10077	1.8
330.04987	5.6
333.05063	2.1
334.08075	5.6
343.04535	2.7
343.08118	11.8
343.11841	2.5
348.05945	10.6
351.05930	3.9
361.05490	1.9
373.09164	5.0
381.06921	4.8
390.07034	4.0
399.08035	2.8
401.12650	2.9
403.10187	6.7
445.11279	11.9
463.12418	21.1
496.13425	100.0
497.13678	1.7
510.11447	37.4
511.11655	2.1
520.30792	1.7
581.19092	2.4
616.13446	1.6
625.17651	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01866	1.0
55.05516	4.9
57.03448	0.8
67.05508	2.8
68.05780	0.5
69.03408	1.2
69.07053	1.6
71.55009	1.2
78.96325	0.6
79.05501	3.4
81.03434	0.8
81.07052	3.8
83.04984	1.1
83.08609	3.4
85.06494	0.6
87.54727	0.8
91.05510	1.9
93.07054	1.3
95.04988	0.6
95.08602	2.2
97.10175	8.7
99.05701	0.7
105.07034	1.8
107.04966	0.8
107.08628	2.1
109.10176	1.5
117.07014	0.8
119.08617	1.2
121.06525	0.6
125.09618	7.9
131.08543	0.8
133.10078	0.8
135.08122	1.0
145.10182	0.8
153.09158	0.7
155.05725	0.7
163.11163	0.8
173.06638	0.7
173.13200	0.7
189.11206	3.2
191.07678	0.8
203.11310	0.6
204.78136	0.7
211.09505	6.9
227.12808	8.0
229.09250	3.5
247.10388	2.8
285.12015	0.8
381.17599	1.7
392.25592	0.6
437.21310	13.6
445.29800	1.1
446.22699	0.8
455.21286	1.9
552.47095	0.6
625.31952	100.0
626.32300	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01866	0.5
55.05502	0.3
56.96544	0.4
57.00421	0.3
57.03448	1.3
58.72714	0.3
61.02938	1.5
63.39664	0.3
67.05486	0.7
69.03086	0.4
69.03438	5.1
69.81805	1.5
70.06571	0.3
71.01344	0.4
71.04961	0.8
71.05318	0.3
73.02937	1.7
79.05495	0.6
79.29897	0.3
81.03425	1.8
81.07053	0.6
85.02918	8.3
87.04465	1.1
91.03936	0.8
91.05470	1.1
93.07038	0.3
95.04961	0.6
95.08666	0.3
97.02907	2.8
97.06519	1.1
99.04433	0.8
101.02403	0.5
102.04693	0.6
103.03951	0.4
103.05447	0.4
105.07004	0.5
107.08591	0.4
109.02898	1.6
109.10145	0.5
110.03702	0.3
111.23144	0.3
115.03916	0.4
115.05457	0.4
117.03387	0.3
119.04940	0.8
121.06490	0.4
123.04449	0.6
124.05192	0.8
125.06003	0.4
127.03938	2.1
130.04152	1.0
131.04910	0.9
133.06491	0.4
135.04404	0.6
136.05197	0.7
137.06009	1.6
145.02872	0.6
145.04965	0.8
146.03621	1.2
147.04448	1.9
148.05217	2.4
151.07593	0.3
153.01842	3.1
161.06018	2.0
162.06795	1.2
163.03909	2.1
163.07562	0.4
167.06967	0.3
177.05473	0.8
179.07158	0.3
180.07784	0.5
181.04979	0.3
203.03436	2.1
215.06952	0.3
229.05022	3.1
241.04973	0.7
242.05792	6.1
253.05017	1.9
255.06590	0.3
257.04489	37.6
258.05276	9.6
259.09695	1.2
269.04456	0.9
270.05341	1.1
271.05991	0.9
283.06107	0.6
285.03964	5.6
285.07034	0.6
286.04758	21.4
287.05530	9.6
295.06097	0.3
297.03983	4.1
299.05429	1.0
300.06485	0.5
301.07269	0.5
311.05591	1.0
327.05032	1.8
341.06381	1.6
356.15585	0.3
359.09283	0.4
373.07019	0.4
375.08731	0.3
387.08780	0.7
389.06647	0.4
403.08176	0.9
415.08264	0.8
432.08621	1.6
435.10843	4.0
447.10812	14.4
465.11905	100.0
466.12155	2.1
473.90677	0.3
507.13004	0.7
583.31055	0.6
609.28021	0.4
623.01923	0.3
627.17041	3.1
627.29297	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	627.1913
Annotation	5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside
Peak:m/z	Relative Intensity
56.96292	1.8
56.96571	18.9
60.80981	1.3
66.43889	1.0
70.15046	5.7
72.96037	2.6
79.00768	1.1
84.96040	2.3
98.20721	1.2
98.97598	9.4
103.19351	1.1
110.97590	4.0
116.98615	4.1
121.99160	2.5
126.02264	1.1
128.98605	3.5
140.00209	43.2
142.01772	1.5
143.00203	1.8
144.03288	1.8
146.99684	1.6
156.03351	1.5
158.01277	41.2
158.99594	2.7
161.01144	2.0
167.99731	4.4
170.99677	3.9
174.04414	2.1
175.39713	1.2
176.02327	10.0
177.00822	3.1
182.78658	1.3
182.99681	3.4
186.00772	30.4
186.02345	2.0
189.00737	3.6
192.05434	10.6
199.51303	1.1
201.00725	10.8
204.01831	40.4
210.06509	8.8
216.05502	2.0
219.01753	7.7
222.02878	6.1
231.01859	1.8
234.06490	13.6
237.02864	2.4
240.05431	5.0
243.01845	2.9
246.02843	5.6
252.07677	1.9
257.08118	22.5
258.06516	25.2
261.02829	16.9
267.06570	2.0
275.09146	9.4
276.07535	10.9
279.03928	6.8
285.07596	31.3
286.05948	8.7
288.04028	1.7
291.04138	1.5
303.08667	100.0
303.66013	1.2
304.06885	5.5
306.08621	2.1
321.04938	6.6
321.09729	3.5
326.10257	2.1
330.05032	2.3
333.05225	1.3
336.09702	2.6
345.09616	5.8
348.06046	4.9
375.10904	2.8
381.07300	2.1
405.11588	6.7
447.12833	9.0
465.14014	16.2
498.14987	54.4
509.82419	1.3
510.11359	25.4
627.19263	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.282
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.27728	0.5
55.05522	0.8
56.31918	0.6
67.05511	1.8
79.05519	0.9
88.34324	0.5
89.67076	0.5
91.05487	1.3
93.07063	0.9
93.33957	0.5
94.06554	0.7
95.04935	0.6
103.37983	0.5
105.07058	0.8
106.06574	0.8
107.08567	0.6
108.08160	0.6
109.10269	0.5
113.93771	0.6
120.04498	0.8
122.06108	0.8
131.07329	0.9
136.07625	1.6
138.09103	0.6
143.08656	0.6
144.08055	0.9
146.09677	0.7
149.05032	0.5
168.08189	0.5
170.09659	0.6
172.07564	1.5
172.09935	0.7
173.08488	0.6
174.09186	4.6
186.09164	0.8
187.08719	1.3
187.12303	4.3
188.10762	2.1
190.05061	1.1
196.09995	0.7
197.07108	1.2
197.10753	0.9
198.09247	1.0
200.09409	0.6
211.08720	2.2
212.09470	1.2
215.11870	2.8
223.08669	1.2
225.06694	0.9
225.10223	4.1
226.11137	0.9
227.11778	3.2
228.66299	0.5
235.08768	1.6
237.10316	1.0
238.11095	0.8
239.11826	2.7
241.13434	2.9
243.11302	23.1
249.10254	3.0
250.11104	0.7
251.11963	2.8
252.09120	0.9
253.09816	2.0
263.11951	0.6
265.09790	1.5
265.13562	0.6
267.11359	6.8
269.09460	0.8
269.12875	2.2
271.10849	0.6
277.09796	2.3
279.11310	0.6
285.12442	3.0
287.11676	0.6
291.11310	1.2
293.12738	0.9
295.10706	3.3
299.14371	1.1
300.11328	1.0
301.12515	1.1
301.15591	3.9
302.12973	0.7
306.12704	0.9
309.12277	3.2
311.14148	0.7
313.13071	0.8
314.13080	1.7
315.10449	0.7
315.13788	1.2
316.10931	1.3
316.14560	1.1
317.11902	0.8
319.10745	1.7
319.14438	1.0
320.14160	0.9
325.15591	9.4
326.13007	1.2
327.13416	6.6
328.10858	2.3
328.14517	1.8
329.11743	1.9
329.15527	0.9
330.12378	3.2
331.13190	0.9
334.15540	1.8
340.11060	0.8
341.11975	1.1
342.12466	4.1
342.16159	1.3
343.13248	2.7
344.14035	3.2
344.17679	0.9
345.14789	1.3
346.15585	2.3
348.13571	2.3
351.13300	1.0
354.12335	0.9
355.13498	0.8
356.14038	3.4
357.14819	1.4
358.11731	0.8
358.15854	2.7
359.16479	0.6
360.13177	0.7
360.17303	1.2
362.15027	1.3
368.13934	0.6
369.14590	0.9
370.11420	0.6
370.15576	2.7
371.16452	1.3
372.13159	0.8
372.17142	3.8
374.15189	1.5
384.17371	1.0
385.17957	1.1
386.14728	1.5
386.18988	1.2
394.17770	0.7
395.18863	0.6
398.14844	1.0
400.16565	3.1
402.14240	0.6
403.16016	1.7
407.15207	0.9
408.16467	0.9
412.16547	1.1
416.16223	1.3
418.18173	0.9
419.18918	0.7
421.16861	1.0
422.17972	1.3
423.18671	0.8
428.16061	0.7
430.17639	1.1
431.18774	1.9
432.19409	3.8
433.19949	1.1
435.14590	1.8
436.19733	0.9
437.19781	1.9
444.19632	0.8
445.20529	1.3
446.20291	0.7
447.21902	1.9
448.15454	0.9
449.15250	1.0
449.20517	1.5
450.16626	1.2
451.17636	1.8
453.22928	0.7
460.18951	1.3
461.23380	1.8
462.24893	3.7
463.22321	3.0
464.19464	0.6
465.18890	14.5
466.19687	0.9
472.19360	0.8
473.19458	0.7
474.20520	0.7
476.21231	0.6
477.19830	1.7
478.20068	1.7
479.20401	5.6
480.21793	3.5
481.22321	3.3
489.22812	2.0
490.22110	1.0
491.20404	1.1
492.21545	3.1
493.23071	3.6
494.23148	0.8
504.21591	2.9
505.22559	0.7
507.24139	3.7
508.20956	1.3
517.22583	2.0
520.21344	1.5
521.26373	1.3
527.26733	0.8
535.23541	6.4
537.21484	0.8
539.26654	0.8
541.23877	0.9
549.25024	12.9
552.23547	0.9
553.24561	2.4
554.25092	0.7
567.26086	67.2
568.26550	1.1
577.24304	1.3
595.25562	45.9
596.25952	0.7
609.26990	1.7
627.28186	100.0
628.28778	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	627.282
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01887	0.7
58.20183	0.8
67.05507	1.3
70.02972	0.8
71.24836	1.2
79.05486	1.0
81.03432	0.9
81.07047	0.8
86.76035	0.9
91.05482	1.3
136.07616	1.2
143.08540	0.9
146.06093	1.0
146.09668	1.4
172.04611	0.8
174.09158	4.0
187.12355	3.7
188.10738	1.7
211.08743	2.0
212.09508	1.2
213.79639	0.8
215.11853	2.8
223.08658	1.7
225.10269	2.2
226.10959	1.2
227.11850	2.9
235.08762	1.8
239.11839	3.3
241.09758	0.8
241.13469	2.2
243.11324	24.0
249.10423	1.5
251.11827	2.1
253.09758	1.9
253.13507	0.8
267.11359	7.9
269.12939	2.0
277.09805	2.0
285.12524	2.4
291.11169	1.1
295.10873	4.2
301.12329	1.0
301.15656	1.6
302.13028	1.2
309.12451	1.7
313.13058	0.9
314.13028	1.4
316.11029	1.3
316.14569	1.2
320.13983	1.1
325.15457	11.6
327.13425	4.0
328.10913	2.4
328.14465	2.0
329.11652	1.7
330.12405	2.7
330.15988	0.9
332.13977	1.0
334.15552	1.2
341.11612	1.2
342.12454	4.0
343.13257	2.8
344.14014	3.8
344.17621	1.1
345.15039	1.8
346.15607	2.1
348.13428	5.0
351.13538	1.6
356.14023	3.4
357.14984	1.0
358.15656	2.7
359.16589	1.0
360.17264	1.0
370.15469	2.5
372.17233	5.3
374.14694	1.5
384.17325	1.2
386.14767	1.9
386.19092	1.2
390.14456	1.1
398.14932	0.8
400.16806	2.9
403.16080	2.0
412.16583	0.9
418.18497	1.1
419.18967	1.7
420.16785	1.6
422.17783	1.0
430.17484	1.1
432.19675	4.2
435.14227	1.8
437.19803	2.6
444.18863	1.1
447.22046	2.8
448.15262	1.2
449.15796	2.5
450.16968	2.4
451.17361	1.8
454.19400	1.0
461.23538	2.2
462.24240	2.5
463.21869	4.6
464.18823	1.0
465.18823	15.3
466.20169	1.3
477.19254	1.0
478.20605	1.7
479.20636	5.5
480.21909	4.6
481.22034	3.6
489.22839	2.3
490.21384	1.3
491.21344	2.2
492.21579	2.4
493.22067	3.1
505.22522	1.1
506.22906	0.8
507.24179	5.3
508.21600	2.3
517.22522	1.8
535.23468	7.1
549.24927	14.3
551.24371	0.9
552.23608	1.2
553.24829	1.6
563.22711	1.4
567.26062	86.6
568.26166	1.8
577.25189	1.2
595.25562	100.0
596.25671	1.8
627.28186	40.5
628.28503	1.2
635.76941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01864	11.1
55.05519	36.7
57.03427	13.7
57.07067	14.0
59.04986	3.9
65.03932	5.1
67.05180	4.6
67.05513	87.0
69.07079	33.3
71.04998	8.9
71.08639	65.9
79.05057	7.2
79.05503	72.1
81.03414	9.1
81.06580	6.0
81.07062	100.0
83.04983	14.2
83.08608	18.8
85.06552	8.0
91.04969	6.3
91.05491	77.7
92.05817	8.5
93.07049	74.9
94.07414	5.7
95.04972	13.9
95.08606	53.9
97.06523	14.7
97.10162	14.0
99.08086	39.4
104.57316	3.8
104.68319	4.3
105.07047	65.6
107.04908	10.2
107.08612	47.3
109.06497	8.6
109.10153	24.7
111.08092	4.2
117.07040	22.9
119.08585	53.3
121.06516	4.3
121.10170	33.1
123.08092	8.1
123.11729	6.1
125.09632	10.6
128.06245	4.9
129.07022	12.6
131.08598	39.7
133.10150	31.0
135.08037	5.0
135.11678	14.9
137.09647	5.8
141.06981	5.4
142.07779	4.8
143.08586	35.8
144.09044	4.2
145.10150	39.7
146.10451	4.3
147.11685	24.7
149.09669	4.9
149.13289	9.6
151.11220	12.3
155.08574	11.2
157.10178	33.7
159.11694	25.0
161.13293	28.0
163.11153	6.9
163.14848	9.4
169.10129	8.6
171.11685	15.3
173.09377	4.0
173.11867	5.1
173.13275	20.5
175.14836	12.4
177.12801	6.1
179.14310	24.8
181.10143	8.4
183.11632	13.3
185.13257	23.5
187.14842	13.8
189.12759	4.0
195.11708	8.4
197.13333	7.8
197.47704	3.9
199.14795	12.8
209.13248	7.9
213.16531	6.2
219.17473	10.3
225.16422	5.3
229.19281	5.5
239.18013	5.4
241.19556	17.6
259.20602	25.5
263.23801	4.6
275.20035	20.1
277.21695	31.9
293.21143	13.0
295.20078	4.9
315.23163	8.6
333.24246	13.2
335.25781	17.3
336.26178	5.2
337.26883	7.5
349.23718	6.9
351.25381	28.1
419.33096	7.1
437.34271	22.1
441.33054	4.1
510.25473	8.1
511.37827	14.3
512.26910	5.5
517.40198	6.3
527.37146	5.7
529.38904	6.8
535.41168	10.8
539.25891	6.9
553.42438	8.8
587.45782	4.3
599.27441	15.6
609.45148	62.6
627.27948	18.7
627.46509	94.0
627.66400	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
54.05307	0.8
55.01879	4.4
55.05512	14.2
57.03441	13.1
57.07064	2.8
65.03944	3.5
67.05508	50.8
69.07077	15.4
71.04995	3.1
71.10845	1.6
71.11180	1.6
79.05499	41.8
81.03426	3.4
81.07061	48.0
82.50562	1.0
83.04969	3.1
83.08630	6.2
85.06538	3.2
91.05486	38.2
93.07050	40.3
95.04986	6.1
95.08614	31.4
95.09238	1.2
97.06545	4.6
97.10178	2.3
99.04461	3.1
105.04502	1.3
105.07045	32.0
105.07764	1.6
106.07452	1.0
107.04963	5.0
107.08604	21.2
109.06529	5.2
109.10150	13.4
110.10556	1.1
111.08112	2.3
115.05480	1.7
117.07033	11.5
119.08587	26.0
121.06521	2.4
121.10156	16.3
123.08059	3.6
123.11704	2.8
125.09628	1.7
128.06213	1.5
129.07019	4.2
131.08586	19.8
133.10139	15.1
135.08043	3.7
135.11688	8.4
137.09633	2.1
142.07750	1.1
143.08557	2.7
145.10146	11.5
147.11703	9.8
149.09637	4.0
149.13260	3.8
157.10146	2.9
159.07976	1.0
159.11705	8.0
161.13297	2.6
163.11145	1.6
169.10132	1.8
171.11696	2.3
173.13286	3.8
179.14313	1.6
183.11778	1.9
185.13310	2.7
187.11302	1.0
187.14920	1.5
197.13300	1.0
201.16426	4.0
203.14330	2.5
209.15501	1.3
219.17450	100.0
243.21059	1.2
257.19058	2.9
261.22348	1.7
273.18622	1.1
275.20081	21.6
291.19519	2.1
293.21127	1.8
335.25806	48.5
337.27539	1.3
349.23770	9.4
609.45148	28.8
627.46338	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	628.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67570	2.4
53.03947	2.9
55.01867	2.5
55.05273	2.3
55.05516	25.0
57.03438	3.4
57.07088	9.8
61.02930	4.1
67.05176	3.6
67.05511	50.3
69.03436	18.4
69.07069	35.0
70.06593	4.1
70.94261	4.5
71.04991	5.6
71.08599	2.4
73.02911	2.2
79.05123	2.9
79.05499	28.0
80.54627	1.9
81.03405	5.8
81.07062	56.4
83.04978	9.4
83.08619	22.8
85.02914	32.6
85.06531	5.4
86.09678	2.7
87.04460	11.2
88.94363	2.5
91.05463	6.2
93.06549	3.0
93.07050	33.1
95.04946	2.9
95.08611	51.1
97.02887	8.0
97.06527	14.1
97.10181	15.5
99.04446	3.9
99.08089	4.8
101.06017	8.1
105.07040	4.0
107.08610	26.0
109.09463	3.4
109.10165	44.5
111.08046	3.6
111.11700	8.0
113.09621	5.2
115.03911	7.9
115.07573	3.9
117.06994	4.0
119.08516	3.0
121.09320	3.9
121.10151	64.8
123.11715	27.1
125.13297	3.3
127.03910	6.8
127.11224	5.3
129.05484	6.4
131.08537	2.7
133.10133	3.0
135.11693	45.9
137.13266	8.2
139.11191	4.6
141.12708	5.1
145.04958	7.3
147.11606	3.4
149.13283	27.3
151.14813	10.7
153.12720	3.0
163.03915	11.3
163.06007	2.4
163.14812	4.8
164.87999	2.2
169.15903	2.7
172.16200	2.2
179.17944	8.1
181.04965	3.0
191.18105	2.3
205.19525	92.0
215.06953	2.3
215.17952	12.5
223.20587	100.0
233.19023	22.8
241.21620	7.4
251.20058	28.2
256.12350	1.9
259.09677	6.2
269.21136	99.8
287.22235	10.3
459.32309	2.3
541.14014	2.5
628.29340	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	628.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	21.5
57.03432	6.3
57.07085	7.2
61.02901	4.3
67.05511	38.8
69.03423	12.6
69.07074	36.5
70.06596	5.1
70.34631	2.5
71.04998	6.3
71.08637	5.9
71.55464	4.9
79.05505	28.6
81.03423	6.8
81.07063	56.9
83.04987	7.8
83.08638	19.1
84.78567	3.1
85.02911	32.4
85.06539	3.5
87.04472	8.4
91.05493	5.7
93.07043	27.0
95.04974	2.9
95.08614	42.6
97.02889	10.0
97.06537	19.0
97.10201	20.6
99.08099	4.0
101.06026	7.0
105.07057	6.2
107.04963	4.1
107.08600	20.5
109.10172	42.2
111.11726	8.9
115.04005	3.3
115.07580	3.8
117.03343	4.6
119.08586	8.2
121.10157	59.1
123.11728	32.6
125.09701	3.2
125.13288	5.6
127.03895	7.7
129.05490	5.8
131.08562	4.9
133.10106	3.8
135.11713	52.8
137.13278	6.7
139.11174	5.6
141.12726	5.5
142.97603	2.8
145.02818	3.8
145.04930	4.0
149.13240	21.3
151.14807	7.6
159.11729	3.0
163.03920	16.4
163.14865	8.1
164.04282	3.8
167.06944	3.9
167.14333	3.3
177.05458	3.6
179.17992	6.3
184.63658	2.9
205.19514	91.1
215.06992	5.0
215.17937	10.0
223.20598	100.0
233.19044	21.1
241.21724	9.4
251.20091	30.1
259.09689	11.6
269.21167	95.3
287.22253	5.1
430.08087	3.6
584.31494	4.3
628.30005	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	628.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05511	6.4
55.54174	0.8
57.03428	1.9
57.07080	30.0
59.04996	2.7
62.43346	0.7
67.05505	11.1
68.05851	1.4
69.03437	0.7
69.07076	7.8
69.19670	2.4
69.20089	4.7
71.08636	28.3
73.06564	8.4
79.05493	7.9
80.05824	1.8
81.03452	1.1
81.07059	12.7
82.07418	1.4
83.08621	6.7
85.10186	16.1
87.04474	8.5
89.06037	100.0
91.05472	6.9
93.07051	8.3
94.07384	1.6
95.04955	1.4
95.08616	7.5
97.06523	2.0
97.10180	5.8
98.10463	1.0
99.11753	2.9
105.07040	4.6
105.64038	0.8
106.07360	1.5
107.04984	0.9
107.07083	1.8
107.08606	4.5
108.08932	1.6
109.06549	0.9
109.10181	4.9
111.08123	1.0
111.11731	1.9
113.13280	1.9
117.07050	1.6
117.09129	6.0
119.08606	4.2
120.08912	1.6
121.10184	3.2
123.11736	1.1
125.09714	1.0
127.14801	1.6
129.07037	1.2
130.08669	2.2
131.07080	1.4
131.08562	4.0
132.08978	1.3
133.08612	52.0
133.10194	3.0
135.10199	0.8
135.11691	2.1
141.16365	1.2
143.08566	1.4
144.08931	0.8
145.10104	2.1
146.10480	0.8
147.11678	2.5
149.09674	1.0
149.13351	1.0
157.10112	1.3
159.11681	2.3
160.12085	0.8
161.11842	1.2
161.13191	1.2
163.11163	1.0
169.10207	0.8
173.13264	1.0
175.09668	1.3
177.11243	20.9
179.14302	1.4
185.13278	1.2
197.22751	2.6
221.13925	3.5
236.14868	1.7
239.14987	1.1
241.25299	2.2
265.16534	0.9
267.15875	1.1
275.20154	3.6
276.20456	2.2
283.17551	1.3
285.27921	5.6
327.20206	1.6
329.30685	2.3
335.25824	2.6
344.73471	0.7
349.23657	1.0
350.23898	0.9
371.22894	1.5
373.13770	0.8
415.25400	4.8
489.36072	1.0
522.58081	1.0
530.39673	1.1
545.66290	0.9
567.44684	0.8
610.45404	5.6
611.47217	5.0
628.47308	7.7
629.47791	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	629.2732
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
53.94708	0.4
65.78483	0.4
78.11637	0.4
83.63632	0.3
89.06027	0.7
100.90617	0.4
111.33591	0.3
111.51442	0.3
118.41277	0.4
145.98576	0.4
229.02045	0.5
326.66516	0.4
461.46475	0.4
629.27368	100.0
630.27698	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	629.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52643	2.6
53.03939	8.4
55.01874	8.2
55.05515	36.3
57.03429	8.9
57.07080	14.5
59.05001	4.3
65.03939	5.1
67.05510	100.0
69.07073	35.2
71.04979	6.3
71.08640	21.6
75.04483	3.6
78.40305	2.8
79.05069	3.2
79.05499	49.3
80.05862	3.8
81.03407	10.2
81.07059	91.8
82.07409	4.8
83.04992	7.5
83.08615	22.1
85.06539	5.4
85.10159	5.6
87.04469	4.1
89.06028	17.2
91.05485	44.6
93.06480	4.4
93.07052	60.4
94.07378	3.1
95.04966	12.7
95.08054	4.3
95.08617	63.7
95.76608	2.5
97.06519	5.9
97.10176	14.8
99.08102	11.2
105.04573	3.6
105.07033	40.3
107.08591	25.5
109.06550	5.6
109.10161	29.9
111.08099	5.9
111.11709	5.0
113.09661	4.0
117.07024	15.4
119.08591	38.8
121.06491	3.1
121.10176	18.3
123.08080	4.3
123.11714	10.3
125.09583	5.7
128.06161	4.4
129.07010	14.3
131.08568	30.4
133.08598	4.9
133.10150	24.2
135.08032	5.5
135.11691	12.6
137.09628	5.7
137.13229	3.6
139.11188	3.1
142.07826	3.0
143.08554	16.6
145.10115	25.0
147.08009	3.7
147.11691	17.5
149.09613	3.3
149.13242	8.9
151.11174	6.1
155.08560	7.7
157.10103	13.2
159.11697	14.7
161.13286	12.5
163.11221	9.5
163.14796	4.6
169.10149	8.4
171.11699	9.7
173.13228	9.2
175.14833	7.6
177.11365	3.1
183.11588	5.6
185.13278	7.1
187.14848	9.2
189.11226	3.6
189.16316	5.5
197.13243	4.5
199.14873	6.7
201.16393	6.9
213.16374	4.8
216.69902	3.1
227.12854	4.4
229.14053	2.9
241.19427	3.9
243.20938	3.3
259.20609	5.2
261.22034	4.8
275.20200	7.1
277.21518	6.6
281.22473	4.0
291.23154	3.1
317.24777	3.5
329.24802	3.8
335.25803	9.3
349.23538	4.0
351.25198	3.3
383.33197	4.7
423.32382	4.4
425.33951	4.6
439.15701	2.9
439.35596	5.8
443.35318	3.6
515.37372	22.2
517.39093	3.3
519.41907	5.1
529.39087	9.9
537.43085	13.4
543.40100	3.1
555.43732	10.4
601.46606	3.5
611.46808	49.1
629.38635	4.4
629.47943	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09445	1.5
55.05511	2.7
56.96563	12.2
57.03440	2.6
57.07074	1.8
65.03927	2.4
67.05524	10.6
69.03424	2.9
69.07075	3.3
71.95236	1.7
79.05499	10.5
81.03419	6.1
81.07069	12.3
83.04984	4.2
83.08617	3.7
85.02901	3.0
91.05500	10.4
93.07042	15.7
95.04964	6.3
95.08614	9.9
97.02923	2.0
97.06526	4.0
98.97565	2.4
102.92609	3.6
105.07046	14.4
107.08579	10.1
108.33261	1.6
109.02860	2.4
109.06548	2.3
109.10162	5.1
110.97588	3.3
111.08038	3.0
117.07025	2.1
118.92097	4.8
119.08607	10.4
121.06545	2.2
121.10165	12.5
123.08067	5.9
123.11728	2.1
125.09675	3.0
128.98618	3.9
129.07065	2.8
131.08580	6.4
133.06514	1.8
133.10118	8.1
135.08012	3.4
135.11722	2.8
136.93124	47.3
137.09660	3.8
139.07565	1.7
142.07787	2.6
143.00082	1.9
143.08566	3.7
145.10150	7.7
146.99646	2.5
147.08034	3.2
147.11722	4.6
149.13361	1.4
151.07545	5.0
154.94179	81.3
155.08549	3.4
156.09389	2.4
156.88596	1.4
157.10126	6.4
159.11681	3.9
161.09700	2.1
163.11176	4.8
165.09088	3.4
167.10725	4.8
169.10155	2.6
171.08107	1.6
172.95250	100.0
173.09714	2.3
173.99117	1.6
175.11125	2.7
177.95772	3.4
179.08740	1.8
181.10062	1.8
181.12254	4.1
182.99619	1.8
183.11673	3.5
185.09605	1.8
185.13194	2.1
189.12749	3.7
190.96298	38.1
191.14305	1.9
192.95717	1.9
193.12331	1.6
195.96846	6.6
196.95308	4.6
197.13367	2.4
201.00598	3.4
205.06229	1.6
207.11723	2.9
207.13647	2.3
209.15410	1.9
210.96838	18.7
211.14857	2.5
213.97847	3.0
214.96263	1.9
221.13293	2.0
221.15398	6.7
222.96860	2.0
228.97852	30.0
229.16380	2.1
233.15363	2.4
238.96437	2.1
246.98926	6.4
247.16948	2.1
251.99461	2.9
280.97394	6.2
286.19330	3.1
298.98477	20.2
316.99475	21.1
317.17892	58.4
322.00009	3.2
333.17444	1.8
335.18909	19.9
335.25592	2.6
340.01093	2.8
358.20486	5.5
373.01788	2.7
391.21564	2.8
397.14252	6.5
453.17148	62.9
471.18237	97.6
472.18274	2.1
489.19470	11.8
494.19766	15.2
541.18945	3.2
615.21991	2.8
615.40533	2.4
633.23285	59.9
633.35791	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	8.2
62.42651	0.3
70.06570	0.4
71.13434	0.7
71.95256	0.7
72.96021	0.6
79.05486	1.1
81.07066	3.1
84.96053	0.6
85.94648	0.3
88.58146	0.3
91.05481	0.5
96.19795	0.3
97.06514	0.6
97.96859	0.6
98.97591	7.7
105.00179	0.7
110.97607	1.6
112.71645	0.3
112.99125	1.9
116.98624	1.7
118.38348	0.3
123.98388	0.3
128.98598	1.8
131.00186	1.3
137.02760	0.4
143.00183	0.6
143.74080	0.4
146.99591	0.5
147.04425	0.9
153.02223	0.6
158.99675	1.9
167.00124	0.4
169.01736	0.6
171.03242	0.8
173.01207	1.6
173.04861	0.5
175.02672	0.4
177.00732	1.5
180.22823	0.4
185.04842	1.0
187.06505	0.5
191.02275	1.1
195.07024	0.9
197.04868	0.4
199.06360	2.4
201.04358	0.5
202.98607	0.6
203.05917	0.7
205.07510	1.1
211.02814	0.5
211.06371	0.6
213.08018	5.8
217.07487	1.2
221.08234	0.5
225.08031	2.4
229.07587	1.7
231.09058	4.1
237.04408	0.8
237.07941	1.5
239.09538	2.3
241.11139	3.7
242.08319	0.8
243.09053	2.1
244.99678	1.1
247.08543	0.6
251.09532	4.8
253.11157	0.8
255.09058	5.7
257.10614	1.5
259.12207	3.2
261.10278	0.6
267.09030	0.4
269.10626	22.5
273.10107	2.4
279.09027	1.2
280.09885	1.0
281.10831	0.4
285.09991	0.5
287.05276	0.4
287.11691	6.7
292.12238	0.8
297.10040	2.0
298.10974	0.9
301.07217	0.8
307.15784	0.7
313.14713	0.8
315.11221	0.8
331.15790	8.5
337.16708	0.4
349.16885	11.2
367.17941	100.0
368.18338	2.0
372.18329	0.6
385.19019	12.7
408.04260	0.4
408.20599	3.9
427.20050	0.4
453.18207	0.4
487.21823	0.4
495.19089	2.2
594.30823	0.3
632.47723	0.4
633.24127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
53.03943	5.3
55.01881	4.5
55.05261	1.4
55.05514	19.8
57.03442	5.7
57.07080	2.2
59.04996	3.1
65.03940	6.2
67.05508	100.0
69.03436	31.5
69.07076	11.9
69.74075	3.3
71.01355	1.8
71.05006	5.3
75.15514	0.7
79.05495	30.5
81.03426	23.3
81.07063	45.6
83.04986	9.6
83.08623	11.3
85.02920	4.1
85.06531	4.1
87.04468	2.0
91.05488	35.2
93.07050	34.0
95.04976	10.8
95.08609	30.0
97.02895	6.1
97.06540	3.5
97.10187	6.2
98.20753	0.9
99.04463	3.8
99.08111	1.5
103.05477	1.2
105.04527	1.1
105.07040	27.8
107.04951	4.8
107.08603	22.5
109.02903	5.1
109.06514	6.1
109.10162	55.8
111.04438	5.8
111.08083	4.8
113.09666	0.9
115.03912	0.9
115.05458	1.5
116.06289	1.1
117.07031	13.8
119.04977	1.2
119.08588	23.1
119.45959	0.8
121.06522	4.1
121.10156	14.3
123.04451	1.4
123.08081	3.7
123.11727	3.4
125.06020	2.1
125.09641	5.9
127.03919	3.1
128.06223	2.4
129.05522	1.4
129.07024	8.4
130.07817	2.2
131.04974	1.2
131.08577	19.2
133.06514	2.5
133.10136	13.5
135.08052	4.5
135.11707	8.0
137.09634	5.9
139.07568	0.8
139.11238	1.8
141.07016	3.4
142.07782	2.0
143.08557	8.0
145.06499	3.9
145.10112	13.8
147.08084	3.9
147.11702	8.8
149.09625	3.5
149.13295	4.0
151.07536	3.0
151.11223	1.2
153.07005	1.2
153.09077	1.5
154.07822	1.1
155.08556	5.8
155.10699	2.9
156.09338	0.8
157.06517	1.2
157.10123	7.6
159.08115	2.4
159.11702	11.4
161.09677	3.6
161.13283	6.1
163.07480	1.3
163.11218	3.0
165.07027	1.0
165.09146	2.0
165.12814	0.9
167.08580	2.5
167.10698	0.9
168.09340	1.0
169.10074	4.9
170.11086	0.7
171.08118	2.5
171.11710	6.6
173.09663	2.6
173.11774	17.0
173.13284	6.4
175.11215	3.5
175.14809	1.8
177.12735	2.0
179.08624	0.8
179.10658	0.9
179.14412	0.9
181.08720	0.9
181.10182	2.8
181.12279	1.2
183.08102	1.5
183.11716	3.2
185.09651	3.6
185.13234	5.2
187.11266	2.2
187.14827	3.3
189.11223	3.8
189.12811	2.2
191.10771	0.8
193.12291	1.9
195.11729	2.4
197.09775	1.1
197.11656	0.8
197.13326	2.9
199.11162	2.1
199.14862	3.1
201.12842	1.6
201.16560	1.0
203.10677	1.3
203.14433	1.8
205.15961	0.8
207.11905	0.9
207.13857	1.3
209.13321	2.0
211.11116	0.9
211.14871	1.7
213.12784	1.7
213.16588	0.9
217.16037	1.2
221.13402	1.5
221.15424	2.5
223.14882	1.6
225.12877	1.3
225.16487	1.1
227.12781	2.3
227.14655	1.3
229.14319	16.8
231.13953	1.0
231.17630	1.2
233.15483	1.2
237.12883	1.1
239.14317	1.3
243.21005	1.0
245.13750	0.9
259.20743	2.4
261.22177	2.8
273.18555	1.4
273.22086	1.0
275.20306	0.9
277.21661	2.9
283.20450	1.9
287.16550	1.1
287.20087	1.0
289.21628	1.8
299.14966	4.0
300.14847	0.8
301.21652	5.7
303.23163	1.1
313.21753	2.1
315.23346	1.3
319.22717	2.8
323.23718	1.8
327.23303	3.0
331.22699	1.4
339.23224	1.3
341.24759	3.3
343.22635	1.0
345.24176	1.9
351.23288	6.2
353.24872	1.9
355.17603	3.1
357.24222	1.3
369.24316	10.0
387.25201	5.8
405.26373	2.5
417.77359	1.0
443.28122	3.2
461.28909	7.1
489.35855	1.7
499.33096	0.9
517.34973	1.0
547.36737	1.2
582.13440	0.9
585.37909	2.0
597.38025	6.4
615.39038	8.2
633.39990	42.3
634.40369	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	633.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.0
55.90353	3.7
57.07083	19.4
63.87854	4.1
66.08601	3.7
67.05492	17.5
67.93394	3.4
69.03413	10.3
69.07060	12.9
71.04975	4.3
71.55238	4.7
71.55598	4.8
79.05514	22.4
81.03407	5.5
81.07075	26.5
83.04974	12.1
91.05467	29.5
93.07068	31.5
95.04954	13.5
95.08610	29.2
97.06532	10.4
105.07042	40.4
107.04939	4.8
107.08607	25.4
109.06500	19.3
109.10139	15.0
117.07016	13.2
119.08604	50.9
121.06530	8.5
121.10152	20.4
123.08057	27.8
123.11732	6.2
125.06025	26.6
129.07037	7.7
131.08534	22.6
133.06505	7.2
133.10150	28.6
135.08072	18.6
135.11703	10.6
137.09586	10.7
141.06926	4.5
142.07780	7.1
143.08597	23.1
145.10143	46.4
147.08060	26.6
147.11629	10.2
149.09636	12.3
151.07576	36.2
155.08508	8.3
156.09386	8.8
157.10144	30.2
159.08038	6.2
159.11700	16.6
160.12498	4.9
161.09628	11.1
161.13287	4.0
163.11209	36.3
165.09122	39.5
169.10106	10.9
171.11667	11.8
173.09668	10.9
173.13304	8.1
175.11195	16.1
175.12573	3.8
181.10149	5.2
181.10622	5.4
181.12271	45.8
183.11702	9.1
185.13133	5.2
187.11230	6.8
189.12642	8.0
190.13556	9.3
191.10590	5.3
191.14305	8.3
193.12222	7.5
195.11667	5.2
197.13228	7.8
199.14864	5.6
201.12941	4.3
203.14384	19.5
207.11803	5.8
207.13818	15.7
208.14536	10.1
209.13397	9.6
209.15358	8.6
211.11157	5.9
215.14313	5.3
221.13376	5.1
221.15382	100.0
225.12648	6.1
234.16136	13.5
237.14789	6.3
247.16969	18.7
274.19333	10.5
286.19278	17.4
287.20227	8.7
299.20050	7.2
313.21658	9.6
340.24216	5.8
352.23755	7.4
353.24609	5.5
365.24744	5.9
435.28763	6.6
440.29086	10.6
520.35327	12.7
540.12445	4.5
573.39404	7.5
600.41669	7.7
615.40125	6.4
616.40967	4.6
633.41064	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01880	3.3
55.05273	0.8
55.05516	11.9
57.03447	11.0
57.07071	1.2
59.05014	4.7
61.02934	6.2
62.88266	0.7
65.03931	2.3
67.05511	61.7
69.03448	1.7
69.07068	2.5
70.06606	0.9
70.82516	2.0
71.01317	0.7
71.04991	4.4
71.90724	0.7
73.02910	1.7
77.62251	0.7
79.05503	12.6
81.03434	5.8
81.07067	17.6
83.01352	4.9
83.04996	6.5
83.08630	9.3
85.02911	7.0
85.06567	1.6
91.03951	2.6
91.05489	11.6
93.07056	16.7
95.05012	4.6
95.08620	10.2
97.02892	3.1
97.06540	4.1
97.10140	1.1
99.04455	2.1
103.05412	0.9
105.07045	6.7
107.04980	4.6
107.08595	8.6
109.06543	4.7
109.10166	61.7
111.04439	1.3
111.08090	4.4
117.07031	3.4
119.08594	9.5
120.08103	3.1
121.06500	2.8
121.10143	4.4
123.08111	6.0
125.09636	0.8
127.03957	1.1
131.08565	1.5
133.10162	2.5
135.08083	1.3
135.11696	6.4
137.09615	2.3
143.08595	0.8
145.04907	0.9
145.10141	9.8
147.04424	3.4
147.08063	1.5
149.24925	0.7
153.12769	1.9
155.08597	1.5
155.10657	4.8
161.58536	0.9
163.03958	0.9
163.11203	14.7
165.08946	0.7
173.09615	1.4
173.11766	17.3
177.05441	1.5
181.12227	2.3
191.10683	2.2
209.11713	4.5
227.12802	2.9
229.14374	87.7
230.14735	1.9
247.43159	0.7
283.15427	80.9
284.15903	1.0
357.08078	0.7
437.25400	100.0
438.25751	1.9
578.32056	0.7
609.95422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95514	0.1
53.03940	0.3
54.59823	0.1
66.26561	0.1
68.99819	0.1
69.03424	0.3
69.07085	0.1
70.06596	0.9
70.85844	0.1
81.03439	0.5
81.07038	0.2
85.02895	0.2
86.09729	0.1
87.00840	0.2
97.02904	0.3
97.06550	0.2
99.04445	0.2
109.02911	0.5
121.06511	0.1
127.03905	0.7
137.05931	0.1
138.37761	0.1
145.04987	0.1
147.04398	0.1
148.06104	0.1
149.06039	0.2
151.03886	0.1
153.01828	0.9
163.03961	0.1
171.02946	0.2
175.03932	0.2
186.20045	0.1
225.15410	0.1
229.04973	0.4
231.04933	0.1
257.04587	0.2
258.05276	15.0
259.05719	0.1
269.04709	0.1
286.04749	35.1
287.05170	0.4
301.07092	100.0
302.07431	1.1
387.14514	0.2
549.12573	1.4
591.13391	0.2
617.10913	0.2
622.19379	0.1
635.12592	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	635.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89379	0.5
67.05508	1.0
67.34776	0.4
69.03448	0.7
69.31626	3.2
69.32032	1.1
78.63879	0.5
79.05515	0.8
81.07084	0.8
91.05479	0.6
93.07043	0.6
95.08614	0.7
98.21450	1.0
105.07036	1.0
109.06495	0.5
119.08556	0.5
127.40879	0.5
134.27942	0.4
212.11670	0.5
224.13228	0.6
237.77367	0.5
261.14056	0.6
263.11688	0.5
347.40717	0.6
387.16290	0.7
388.16904	0.7
389.17706	1.0
401.17838	0.8
403.19385	1.4
404.20242	0.9
405.20779	1.4
415.19803	0.9
416.15775	0.8
416.20532	0.9
417.16147	0.9
417.21451	3.9
418.21759	1.5
419.22693	1.2
428.20178	0.6
429.21387	0.6
430.18042	2.3
431.18103	5.6
432.18970	1.0
432.23914	0.9
433.24121	3.7
443.18765	1.2
444.19464	1.7
445.19992	6.1
446.21054	1.5
447.21829	1.2
458.21252	0.5
459.17340	1.2
459.23013	2.8
460.22971	3.1
461.23694	3.9
473.19418	0.9
473.24030	0.6
475.21454	1.1
487.21091	0.8
488.22202	2.7
489.23126	3.9
490.23718	0.8
501.22791	1.0
505.22092	0.9
515.24725	0.7
517.22388	0.8
519.27795	0.7
531.24341	0.8
531.36700	2.5
532.24915	0.9
533.25104	0.6
547.27515	7.5
575.26611	22.6
603.26257	1.0
607.28955	2.5
635.28735	100.0
636.29456	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	635.2868
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
55.05508	0.8
57.61959	0.5
67.05504	0.7
71.25674	0.6
81.07059	0.7
81.66130	0.5
83.73260	0.5
84.32834	0.5
93.07028	0.9
93.34541	0.6
95.04954	0.5
136.54453	0.5
145.60655	0.5
155.65424	0.5
363.98288	0.6
366.32898	0.6
387.15790	0.5
388.16846	0.8
389.17810	1.6
401.17722	1.3
402.18665	1.4
403.19308	4.1
404.20221	1.3
405.20917	2.2
415.15533	1.7
415.20023	0.9
416.15781	1.0
416.20703	0.9
417.16739	1.8
417.21439	5.5
418.21896	1.2
419.22372	5.2
429.16513	0.8
429.21375	1.2
430.17383	4.3
431.18210	8.2
432.19397	2.0
432.23685	2.0
433.24359	4.6
434.24838	0.9
443.18771	2.3
444.19205	2.7
445.20062	14.0
446.21121	3.4
447.21448	3.2
457.20633	0.9
458.21085	2.5
459.21857	10.1
460.22598	11.2
461.23474	9.4
471.22131	0.8
472.22620	1.3
473.23560	2.1
474.24609	0.6
477.23300	1.1
487.20444	0.8
488.22897	1.0
489.23093	1.7
490.23810	0.9
491.24738	1.1
492.25381	0.8
505.21613	3.1
517.22388	1.7
518.22876	0.7
519.23425	4.2
531.23901	2.9
532.25012	0.8
533.26019	1.0
546.26379	2.4
547.27130	19.9
575.26886	1.2
577.24530	3.3
578.25696	0.6
591.26074	3.0
606.28406	19.3
607.29199	34.4
608.28857	0.7
617.27057	0.7
625.78937	0.6
635.28693	100.0
636.29041	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	636.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25644	0.8
55.05514	9.8
56.05018	1.7
56.96555	1.1
57.05806	1.1
60.04531	15.7
61.21923	0.9
69.03439	1.0
70.06590	2.9
71.54241	1.7
72.08158	100.0
74.00649	1.1
83.04964	1.0
83.06123	2.0
84.04508	5.8
84.08133	1.7
85.02898	1.9
88.03996	1.8
97.02869	1.6
98.97604	1.4
100.02235	1.2
102.03785	1.9
104.05338	3.3
106.05013	1.7
109.04008	1.9
110.02406	2.2
111.05585	2.1
114.00063	1.1
115.03286	1.2
116.03480	1.4
117.10240	1.0
117.91826	0.9
121.02871	5.4
124.03966	1.0
124.07571	1.6
126.09187	1.1
127.03941	2.1
127.04981	1.0
129.06627	2.6
133.04321	1.9
133.06430	1.1
141.06612	1.5
141.10208	0.9
145.07971	2.5
157.06079	12.8
161.03822	2.0
163.03928	6.6
163.05241	1.9
169.06113	1.9
170.04503	2.6
171.02191	1.1
171.14902	6.3
173.07443	5.1
189.03304	17.5
191.04927	2.7
197.05556	1.7
198.03995	2.1
198.12404	1.3
199.14383	2.7
201.06979	1.5
206.06024	1.0
209.09294	1.3
212.06723	1.7
213.05147	1.2
214.08273	3.1
215.06717	4.6
215.08490	1.5
226.11859	2.1
228.13412	2.0
229.02661	1.3
230.07764	1.2
232.09378	1.6
238.11855	1.6
242.09543	1.4
243.08029	4.0
246.05583	1.2
247.03809	5.5
256.12970	10.6
258.09088	1.2
260.10651	12.2
262.12091	1.2
264.06516	2.6
270.09180	1.8
270.65390	0.9
288.10178	15.2
290.11731	11.8
329.14609	2.6
339.27008	1.1
359.17648	7.2
363.13290	2.1
372.22287	1.0
387.17203	7.0
389.18503	2.0
420.11804	1.4
502.16019	2.3
513.21436	3.6
519.18140	1.9
618.25153	4.0
636.19617	3.3
636.30145	1.1
661.10419	1.0
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
53.03950	2.4
55.01871	1.5
55.05517	10.1
57.03443	10.2
57.07058	1.3
59.04997	3.3
61.02932	4.6
65.03957	1.8
67.05511	66.7
69.03434	4.4
69.07077	4.9
71.04996	4.7
71.05329	0.8
71.05811	1.1
71.06184	2.2
73.02912	1.4
79.05500	12.2
81.03426	38.1
81.07065	20.8
83.04990	8.1
83.08626	18.5
85.02913	16.0
85.06551	3.3
91.03981	1.9
91.05487	19.8
93.07059	13.6
95.04966	13.7
95.08628	9.3
97.02908	4.8
97.06554	3.4
97.10172	3.0
99.04493	1.4
99.88597	0.9
105.07043	11.7
106.93695	0.9
107.04963	3.6
107.08603	5.5
109.06548	2.1
109.10170	54.7
111.04447	2.2
111.08088	10.0
113.06020	1.3
117.07032	1.8
119.08582	13.8
121.06558	1.4
121.10149	5.5
123.08064	1.0
125.09663	1.5
127.03920	2.5
129.07047	4.7
131.08585	6.6
133.06502	2.9
133.10149	5.4
134.08922	0.9
135.11708	0.9
137.09619	4.5
142.07782	1.7
145.10168	2.0
147.04417	1.7
147.08057	2.9
147.11745	7.3
149.09628	3.8
155.10689	3.9
157.10123	8.0
163.03889	1.1
163.11253	1.7
165.12750	1.1
173.11746	15.1
175.11215	7.6
193.12277	27.6
210.76166	0.9
211.13310	39.4
229.14380	58.5
249.14754	1.2
267.15927	12.4
285.16989	30.6
310.58612	0.9
403.25021	1.6
421.25946	14.6
439.26950	100.0
440.27209	1.8
461.15756	1.0
508.24603	1.2
547.29840	1.0
636.30518	1.1
637.31769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
63.78304	0.4
65.03940	2.6
69.03439	2.2
69.26760	2.5
69.27184	1.8
70.06593	0.8
71.05033	0.5
75.39413	0.4
79.05494	0.7
81.03423	7.1
83.04977	0.6
83.44138	0.4
85.02905	2.3
89.03918	5.3
95.04970	4.7
97.02903	6.3
98.20790	1.0
99.04460	1.6
107.04971	1.9
109.02889	3.3
111.04447	1.4
117.03394	7.8
121.02879	100.0
127.03924	3.3
135.04430	14.1
139.03912	17.0
145.02858	9.5
145.04961	1.3
161.05977	0.6
163.03920	86.4
164.04282	0.8
197.99907	0.5
198.35324	0.4
198.78503	0.5
205.05084	0.4
265.07117	12.3
283.08179	7.1
299.05569	0.8
331.08319	0.7
365.15588	0.5
463.12421	0.5
637.18420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04615	0.5
53.03951	1.4
55.05506	0.6
56.87155	0.4
56.96569	0.6
57.03446	0.5
58.29796	0.5
60.04530	0.5
63.02380	0.6
65.03941	2.8
69.03436	2.8
70.06590	0.6
71.54050	0.4
71.54458	0.5
72.08154	3.5
79.05490	0.9
81.03424	7.0
84.04509	0.8
84.60168	0.4
85.02910	3.3
89.03922	5.4
89.56707	0.4
93.03469	0.4
95.04965	5.4
96.08142	0.6
97.02895	7.0
97.91776	0.5
98.97607	0.5
99.04456	1.0
107.04968	1.5
109.02895	3.2
110.09698	0.7
111.04451	1.6
117.03393	7.1
120.08112	0.5
121.02874	100.0
122.03217	0.8
127.03930	3.4
132.68964	0.4
133.06523	0.5
135.04431	14.7
138.09106	0.8
139.02805	0.9
139.03905	17.5
145.02855	11.8
145.03999	0.5
145.04961	1.2
157.06184	0.8
163.03914	88.8
164.04242	1.0
166.08650	1.8
176.26065	0.5
247.06186	0.5
257.04474	0.6
265.07074	12.8
266.10159	0.7
283.08182	5.8
288.09695	0.5
292.47919	0.4
388.17249	0.5
413.16818	0.6
431.18088	0.7
445.11218	0.5
463.27328	0.5
466.51138	0.5
637.19482	1.6
663.34619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
57.03444	0.6
61.53884	0.4
65.03955	3.0
66.79111	0.4
69.03445	2.7
69.39371	0.6
69.39777	2.7
70.06594	0.8
71.05006	0.6
79.05510	0.6
81.03425	7.5
84.08155	0.7
85.02911	3.4
86.09710	0.4
89.03928	5.5
91.05518	0.5
95.04977	4.6
97.02906	6.9
98.97573	0.4
99.04473	1.2
102.11187	0.4
107.04977	2.0
109.02891	4.3
111.04446	1.8
117.03402	6.3
119.08579	0.5
121.02880	100.0
127.03945	3.7
135.04431	14.2
139.03909	16.9
145.02867	9.3
145.03998	0.7
145.04974	1.3
163.03922	86.4
164.04199	0.6
175.14972	0.4
223.05887	0.5
229.05188	0.4
256.03638	0.9
265.04279	0.7
265.07098	12.9
271.05966	1.2
283.08170	6.4
289.06808	0.5
299.05579	0.9
307.03903	0.4
331.08054	0.7
511.97678	0.5
589.25513	0.5
633.65747	0.4
637.19525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2659
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
60.88017	0.4
70.66352	1.2
80.26774	0.5
141.28078	0.4
147.02756	0.5
153.56776	0.4
214.00963	0.4
229.95633	0.5
235.12445	0.5
263.11603	0.5
336.15268	0.6
341.79846	0.4
346.13397	0.5
374.16525	0.6
377.17627	1.1
378.18735	0.6
385.14423	1.1
386.15509	0.9
387.16000	0.8
388.17993	0.8
389.17978	0.7
390.19223	0.6
391.19116	1.8
392.20053	0.8
393.20715	2.4
396.27917	0.4
398.16055	0.8
399.16437	2.1
400.17007	3.0
401.17953	3.9
402.18594	1.2
405.21170	1.1
407.22321	2.7
413.17859	3.3
414.18710	3.5
415.19440	8.3
416.19980	1.5
417.20721	1.7
419.18301	0.6
419.23007	0.6
421.20227	2.6
425.17755	1.0
427.14642	0.7
427.19241	1.6
428.20715	2.5
429.15839	0.8
429.21301	7.5
430.22324	2.4
431.18884	0.9
433.20618	0.6
435.21744	2.1
436.22562	0.9
439.19409	1.1
441.17288	1.9
442.18024	1.9
443.18365	3.4
443.22659	3.9
444.18869	4.5
445.20288	2.5
447.18167	0.9
455.18716	1.4
456.19556	1.7
457.20581	5.2
458.21033	5.1
459.17746	0.8
461.19672	0.5
469.16498	1.1
470.17212	0.6
471.22269	8.0
472.23209	5.7
473.19733	3.7
474.20825	1.2
475.17316	0.8
484.18967	1.0
485.19879	3.2
486.20551	7.5
487.21393	2.6
488.22076	1.2
489.22855	1.3
490.19998	3.0
498.20581	0.7
499.21423	11.1
500.23087	2.9
502.19904	1.2
503.25119	3.7
513.19287	1.2
514.19867	0.9
516.21735	1.4
517.22052	3.5
527.20807	2.5
528.21466	1.3
530.23474	0.6
531.23993	13.0
543.24030	1.6
544.20819	0.7
545.22052	0.6
549.24969	1.2
551.10602	0.5
559.23468	100.0
560.23883	2.9
587.22998	15.9
601.89581	0.5
605.24127	1.0
619.25562	93.1
620.25891	3.2
637.26593	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
61.79440	0.5
67.05500	1.5
70.59152	1.4
71.41957	0.7
81.07046	1.4
93.07045	0.7
118.06608	0.6
161.61093	0.6
166.29729	0.6
182.09740	1.2
221.10829	0.9
223.12418	0.7
249.10402	0.6
363.16336	1.3
374.16168	1.0
376.16888	1.1
377.17633	2.0
378.18610	1.8
385.14545	1.1
387.16177	1.2
388.17957	1.0
389.18103	1.2
390.19046	1.2
391.19250	5.1
392.20090	2.7
393.20752	5.0
397.14853	0.8
399.16183	2.6
400.16919	3.7
401.17709	4.6
402.18942	1.3
403.19968	0.8
405.16470	0.9
405.20856	2.7
406.21857	0.9
407.22372	7.7
411.16284	0.8
412.16629	0.8
413.17709	3.9
414.18695	4.4
415.19348	8.7
416.20578	1.2
417.16541	0.9
417.21307	1.4
419.18652	1.9
419.23026	1.5
420.19412	1.4
421.20148	6.1
425.17987	1.1
427.19318	2.0
428.20673	3.3
429.16333	1.7
429.21710	6.4
430.21527	2.2
431.18777	1.5
433.20563	1.5
435.22021	4.7
436.22540	1.4
439.19284	1.0
441.17303	1.9
442.17856	2.1
443.18243	3.3
443.22583	4.7
444.19458	3.6
445.20544	2.5
446.21286	1.6
447.17120	3.0
449.23349	0.8
456.19531	2.1
457.20670	5.4
458.21085	2.9
459.17422	3.1
461.19678	4.1
462.20316	1.1
463.21021	1.0
469.16525	1.8
471.22424	6.8
472.22540	3.9
473.19476	6.3
474.20950	3.2
475.17044	1.4
475.22348	1.2
484.18991	1.2
485.19928	5.2
486.20700	5.4
487.21759	3.6
488.22424	1.7
489.19107	3.2
489.23730	2.5
490.19617	5.5
491.20975	2.8
499.21564	11.0
500.22983	3.1
501.22614	2.1
502.19781	1.3
503.19696	1.2
503.25781	3.8
513.19305	7.9
514.19971	1.3
516.21869	2.3
517.22375	15.4
519.20514	0.8
521.25745	1.8
527.20795	3.5
528.21753	1.6
529.22284	2.4
530.23572	1.0
531.24500	11.4
543.23932	2.4
545.21698	2.0
549.25244	8.4
559.23468	83.5
560.23920	1.0
573.21912	1.1
577.24658	4.3
578.25525	1.0
587.22974	16.7
588.23242	0.9
591.26202	5.0
605.23987	8.9
609.26813	1.3
619.25549	81.9
620.25952	1.6
637.26611	100.0
638.26202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55944	0.8
55.05493	1.6
57.03445	1.2
61.02914	1.2
67.05496	2.8
69.07075	1.0
70.02689	1.0
71.08640	1.4
71.55024	1.4
77.27114	1.1
79.05524	1.7
81.07054	2.7
85.02913	2.1
91.03933	2.2
91.05483	2.9
93.07032	2.4
95.04979	1.9
95.08601	3.7
97.02879	2.9
99.76546	1.1
100.92482	1.0
105.07018	2.2
107.08595	1.1
109.06562	1.2
109.10176	1.8
119.08621	1.2
121.10085	1.0
126.34916	1.0
127.03853	1.0
247.15532	0.9
313.27423	2.7
369.04898	1.1
377.17584	1.4
389.18094	1.2
391.19254	2.0
393.20636	3.2
398.16473	1.0
399.16006	3.1
400.17026	3.7
401.17740	3.5
403.18915	1.2
405.21027	1.3
407.22293	3.4
413.17615	4.0
414.18356	4.1
415.19434	10.8
416.20120	1.3
419.18854	1.4
420.18765	1.3
421.20340	2.4
428.19968	3.6
429.21225	8.8
430.21317	3.3
431.18417	1.3
434.20953	1.1
435.21790	2.0
442.17874	1.5
443.18008	3.3
443.22473	4.8
444.18600	5.5
445.20328	3.3
456.19675	1.5
457.20682	5.9
458.20935	4.1
460.18091	1.0
471.22327	8.5
472.22980	7.2
473.19406	4.7
474.20355	1.9
485.19543	3.3
486.20410	8.5
487.21338	1.9
488.22455	2.0
490.20102	3.1
499.21375	10.3
500.22308	2.7
503.24640	4.9
516.21722	2.2
517.22260	4.3
527.20593	3.3
528.21381	1.2
531.23956	11.2
543.23944	1.7
547.36298	7.7
549.24591	1.3
559.23444	98.1
560.23700	2.4
587.22986	17.8
619.25568	100.0
620.26453	1.8
637.26355	13.4
637.36267	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	637.2661
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.05508	0.8
67.05505	0.9
69.07077	0.4
71.55032	0.4
79.05502	0.6
79.65596	0.4
81.07064	1.0
91.05477	0.9
93.07048	0.8
95.05006	0.5
105.07054	0.5
107.08602	0.7
109.10162	0.4
117.07015	0.3
129.07031	0.5
196.24718	0.4
197.09093	0.3
197.10915	0.4
206.71661	0.4
207.09296	0.5
375.16275	0.8
387.16550	1.1
388.16821	0.8
389.17569	2.1
390.18390	0.8
391.19391	0.9
400.17389	0.6
401.17633	1.5
402.18802	2.1
403.19550	2.8
404.20044	0.8
405.20923	0.8
415.19461	1.0
416.15765	0.8
416.20615	0.6
417.16904	1.7
417.20975	2.2
419.22598	3.2
429.17197	1.5
430.17657	0.7
431.18124	3.1
432.19528	0.6
443.18918	0.9
445.20258	5.2
446.21097	3.0
447.22757	2.5
449.19946	0.5
457.16003	0.7
459.21729	1.5
461.16272	1.4
462.16696	0.5
463.21762	3.9
464.22183	0.9
473.19385	0.4
475.17734	1.9
476.18677	1.7
477.18842	2.1
489.18948	2.4
490.19962	7.9
491.20789	11.6
503.20670	3.9
504.21732	1.3
517.22711	2.6
518.23456	0.8
533.25586	6.1
534.23529	0.6
535.20160	1.4
545.22186	1.0
549.24561	1.3
562.22412	0.6
577.24493	24.3
593.27637	1.5
605.24170	2.0
619.25739	0.6
636.42090	2.0
637.26605	100.0
638.26630	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84238	1.4
67.05528	1.1
68.32149	1.4
71.12286	2.7
109.10211	2.0
116.98119	1.3
119.88155	1.1
137.27187	1.2
158.93269	1.2
183.00410	1.3
200.43472	1.3
218.13431	1.4
283.57535	1.3
419.18793	2.3
421.23987	2.5
433.20169	2.9
435.21619	1.9
445.20569	4.2
447.22025	2.2
459.21738	5.6
460.22974	3.3
461.19540	2.6
475.21417	4.4
476.22513	4.0
503.24344	2.2
521.25391	3.2
533.22156	1.5
534.26276	1.8
535.27106	3.0
545.25854	7.4
546.26630	2.0
547.26160	1.8
561.24780	1.5
562.25836	2.2
563.26678	9.8
573.24799	1.8
577.28308	2.6
591.25964	1.4
605.27612	7.9
621.27252	2.3
637.30298	100.0
638.30640	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03489	0.5
63.03615	0.4
70.79243	1.3
74.46363	0.5
138.04590	0.6
223.12410	0.6
385.14383	0.7
387.17416	0.6
388.17661	0.7
389.18933	1.3
390.19098	0.7
391.19360	2.5
392.20187	1.6
399.16202	1.3
400.16849	2.1
401.17722	1.3
402.18994	0.8
403.19446	1.5
404.20810	1.4
405.20743	5.9
406.21600	6.0
413.18045	2.3
414.18509	3.6
415.19281	5.7
416.20184	1.2
417.21008	1.2
419.22473	2.2
420.23099	6.7
421.23911	10.7
427.19366	1.8
428.20096	3.3
429.20953	12.4
430.21683	2.0
431.17828	0.6
431.22540	1.5
433.20169	3.0
433.24463	1.7
434.24731	2.0
441.21262	0.8
442.21570	1.6
443.22696	8.0
444.23517	5.3
445.19580	4.3
447.18076	2.2
448.22214	1.2
449.27255	0.7
452.21674	0.6
455.18735	0.7
456.19357	2.3
457.19604	1.8
457.24112	3.3
458.25031	9.2
459.21851	8.6
460.22623	5.9
461.19363	8.2
470.21384	2.3
471.22388	2.7
472.22797	7.7
473.19470	2.3
473.23648	1.8
474.20013	0.7
475.20941	2.9
476.22058	9.0
477.27084	1.0
485.23630	15.5
486.24100	4.8
487.20520	3.0
488.22012	4.8
489.22891	1.0
490.23883	1.1
491.24283	1.3
492.25784	0.8
499.21347	1.7
500.22513	2.3
502.23785	1.4
503.24493	24.0
504.22906	0.6
505.22153	1.0
513.22729	4.8
514.23639	2.4
517.26227	10.1
529.26257	2.4
535.27118	28.8
536.27533	1.2
545.25549	90.6
546.25940	2.5
549.24762	0.9
563.26782	4.5
573.25018	19.0
577.28394	1.1
578.28711	4.1
605.27637	84.5
606.28094	2.5
637.30249	100.0
638.30927	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	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08016	0.3
51.38787	0.3
59.06119	0.9
60.04557	0.4
65.80809	0.3
66.12263	0.3
69.26685	1.1
69.27114	1.3
101.07157	1.1
223.12369	0.4
244.34888	0.3
346.09460	0.4
373.14407	0.4
375.16177	0.3
389.17810	0.5
391.19281	0.4
399.16428	0.4
400.17075	0.3
401.17606	0.9
402.18579	0.6
403.19153	1.3
404.20255	0.5
405.20914	0.8
415.19553	1.6
416.20444	0.6
417.16406	0.6
417.21579	2.5
418.21826	0.7
419.22617	1.7
420.23126	0.7
428.16354	0.4
429.17181	1.2
429.21252	1.0
430.17297	2.5
431.18182	4.4
432.18875	0.9
432.23267	1.7
433.20175	0.9
435.22354	0.4
443.18167	3.0
444.19052	2.8
445.20087	11.5
446.21304	2.7
447.17520	0.4
447.22299	0.6
448.23032	0.3
457.20236	0.8
458.20975	8.9
459.21857	6.6
460.22919	6.8
461.19592	4.6
461.24655	0.3
462.20267	0.6
472.22989	0.4
473.23410	0.9
474.20520	0.4
475.21109	2.1
476.22244	1.3
477.23071	2.4
486.24179	0.4
487.25287	0.4
489.22800	0.9
490.23560	0.8
491.24960	1.4
503.20261	0.5
503.25543	0.4
504.25067	0.9
505.21704	0.6
517.21759	1.4
518.23071	5.0
519.23773	0.7
530.23096	0.4
531.24292	0.6
532.24994	0.4
533.25861	3.5
535.23169	1.6
545.25305	2.6
546.26172	1.7
547.26953	0.5
549.25122	1.2
563.26453	0.4
573.24847	0.8
576.23175	0.4
577.28418	2.5
578.28156	0.4
590.25153	0.4
592.26984	0.7
605.27649	13.1
606.28296	1.1
637.30255	100.0
638.30463	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	637.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
57.07081	1.5
59.05017	7.1
61.42236	0.9
67.05494	3.4
69.07052	1.6
69.35101	1.6
69.35501	7.3
74.43507	0.8
74.74222	0.8
79.05495	1.1
81.07043	1.4
81.93481	0.9
83.08636	1.3
93.07059	1.6
95.08615	1.4
102.30383	1.0
107.08620	1.2
109.10167	1.8
119.37075	1.0
125.05964	1.1
131.08530	0.9
280.39890	1.0
293.64340	0.9
361.58932	1.0
389.17618	2.2
403.19281	2.4
405.20804	7.7
415.18906	2.1
416.19876	1.5
417.16980	3.3
417.21259	2.2
418.17456	1.9
419.18420	1.3
431.18033	5.9
432.19376	7.1
433.20316	7.8
444.19360	1.4
445.20502	2.2
446.21182	1.4
457.19949	1.0
458.20938	1.6
459.21649	2.6
465.35950	1.1
476.22122	1.4
489.23273	1.1
490.23373	2.7
491.24362	5.2
519.23981	27.5
545.25293	2.1
573.26062	1.0
577.28253	12.1
579.25757	4.9
605.27740	1.6
607.40735	1.3
619.42047	1.7
637.29877	100.0
637.41705	21.1
638.29974	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	637.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.5
55.01876	15.0
55.05516	24.7
57.03450	7.7
59.05008	2.9
65.03944	2.4
66.45520	1.6
67.05506	30.5
69.03434	25.1
69.07069	6.9
70.98659	3.3
71.01345	3.0
71.05003	7.8
73.02927	1.7
79.05499	34.3
80.16041	1.5
81.03423	100.0
81.07061	31.6
83.01351	5.5
83.04985	24.0
83.08620	21.0
85.02914	17.4
85.06560	2.5
91.05483	32.0
93.07052	29.5
95.04970	24.2
95.08609	12.6
97.02892	19.5
97.06548	9.5
97.10148	9.0
99.04470	6.9
99.08110	1.8
101.29397	1.5
105.07032	21.2
107.04944	13.3
107.08600	15.7
109.02890	25.3
109.06546	6.9
109.10173	7.3
111.04443	18.5
111.08087	10.3
115.05485	1.9
117.07029	8.7
119.08582	18.5
119.09355	1.8
121.06522	6.0
121.10158	12.2
123.04453	2.8
123.08109	5.2
125.06094	2.1
125.09666	5.0
127.03926	14.9
129.07002	8.7
131.04977	1.6
131.08583	8.7
133.06512	1.8
133.10161	5.2
135.04399	1.8
135.08083	2.9
135.11702	10.3
137.09602	2.2
142.07816	2.8
143.08549	1.9
145.06519	2.0
145.10136	11.1
147.04430	1.8
147.08060	3.5
147.11658	9.3
149.09644	5.3
153.12750	12.0
155.08578	2.0
157.10130	10.1
161.06033	3.0
163.11182	20.4
165.05469	1.9
165.12791	4.4
173.04501	3.3
173.09662	4.3
175.11267	8.6
181.12248	7.9
189.11295	3.6
191.09196	2.0
191.10634	9.6
193.12244	31.1
209.11708	8.9
211.13300	50.5
211.15257	2.9
219.22200	1.5
227.12753	18.1
265.14386	2.8
267.15939	9.6
273.14923	3.3
277.14423	1.6
283.15408	13.3
285.17084	5.1
289.14325	2.2
337.16553	3.8
353.16141	5.4
355.17618	6.8
355.22427	1.6
383.22305	3.8
393.19144	2.5
409.18689	5.3
411.20343	3.7
427.19800	3.5
440.27228	2.5
457.25885	5.9
475.26956	15.7
493.28036	15.5
601.29529	2.3
619.30988	7.6
637.32269	62.7
638.31909	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	637.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01877	2.5
55.05521	3.8
57.03189	1.2
57.03444	14.7
57.07080	23.3
61.02932	50.6
67.05501	9.7
69.03431	20.1
69.07068	6.3
71.01342	1.5
71.04990	3.5
71.08637	19.4
71.55129	0.9
73.02922	19.8
78.66401	0.7
79.05493	2.3
81.03426	15.8
81.07065	12.5
83.04971	2.7
83.08628	9.1
85.02910	63.7
85.10189	12.2
87.04469	2.8
89.06026	0.8
91.03960	37.3
91.05486	1.8
93.07059	1.7
95.04961	1.7
95.08612	15.8
97.02896	51.6
97.10187	4.8
99.04473	8.1
101.02372	5.4
103.03951	8.3
105.07021	1.1
109.02882	12.0
109.06519	0.9
109.10155	7.6
111.04412	1.6
115.03940	5.0
117.05501	1.4
119.08626	1.1
123.11714	3.8
125.13269	1.0
127.03928	27.0
129.05486	3.8
135.11737	1.0
137.13286	1.5
145.04961	15.7
156.03600	0.8
158.99603	0.8
159.06546	2.9
163.06012	4.3
183.06544	10.7
201.07591	6.4
219.08658	0.9
239.23691	17.0
257.24823	2.7
313.27374	100.0
314.27829	1.9
341.26852	5.9
347.67242	0.8
348.17740	1.9
349.16901	1.4
349.67389	1.0
355.28479	4.8
367.28528	1.1
383.27902	1.8
385.29568	1.3
397.29370	1.0
421.29514	2.0
439.30484	2.3
457.31729	11.5
473.19299	0.9
475.32675	2.1
559.23376	1.5
619.25012	1.8
637.26233	3.4
637.37964	4.3
654.09711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41786	2.6
56.96571	34.6
58.71314	2.9
60.61063	3.1
65.79094	3.2
69.16824	25.4
69.17227	5.9
70.98121	3.3
71.44331	2.8
73.53088	2.8
80.33692	2.7
84.96046	13.7
85.02886	5.2
94.59701	2.6
94.61501	4.2
97.02892	3.0
98.97594	38.1
102.85841	2.9
110.20089	2.8
110.97590	12.5
116.98640	16.7
121.99158	4.2
123.13000	2.6
128.98608	18.2
134.87547	3.4
134.99660	2.8
136.96893	3.0
138.02310	4.6
139.50282	2.7
140.00194	27.5
140.98615	3.8
142.01778	13.3
143.00169	6.9
143.08914	2.8
146.99693	7.2
152.07042	3.1
156.03351	24.6
157.01768	5.4
158.01268	20.2
158.99690	9.9
160.02826	5.5
161.01283	6.4
170.99673	11.2
174.04437	24.3
175.02785	15.6
177.00763	6.9
182.74507	3.1
182.99744	8.3
186.00780	4.7
186.04367	12.5
189.00717	10.1
193.03938	4.2
196.02448	3.1
201.00740	28.0
202.07500	4.0
204.01797	4.4
204.05498	9.4
212.05991	7.0
214.07547	3.0
219.01775	24.2
222.04446	10.6
224.05980	7.4
226.07539	4.1
230.06911	3.9
237.02815	7.1
240.05386	29.4
242.07021	68.8
243.01808	10.9
250.07576	4.2
252.05469	45.6
258.06586	10.3
260.08102	88.3
261.02869	25.6
268.05099	5.4
268.08502	5.8
270.06497	94.7
271.09708	5.2
279.03970	10.7
284.04459	5.4
286.06131	7.9
288.07574	22.4
294.06512	91.5
296.04526	9.4
302.05267	5.4
306.06653	10.3
312.07581	36.8
314.05490	84.0
315.08621	5.6
321.05096	8.5
324.07578	9.7
328.07315	4.9
332.06549	16.4
336.07681	10.5
338.05576	8.1
348.07681	3.9
354.08682	24.8
356.06421	19.3
368.06512	4.0
384.09692	8.7
396.09604	21.6
398.07809	5.4
414.10748	8.5
416.08804	7.6
440.08618	19.6
458.09680	36.7
476.10837	69.2
510.15140	5.4
576.16565	6.0
620.15143	10.7
638.16022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01875	0.4
55.05513	2.9
57.03444	0.4
57.07072	0.8
61.02934	0.5
65.03954	0.5
67.05518	2.1
69.03417	1.2
69.06723	0.6
69.07073	8.0
69.37862	2.5
70.06599	2.3
71.04991	0.6
72.08154	0.5
79.05482	1.1
81.03412	0.7
81.07066	3.0
83.08620	1.8
84.08156	2.4
85.02914	3.2
85.06564	0.6
85.08456	0.5
85.56538	0.3
86.09712	0.8
87.00812	0.4
91.05486	3.9
93.07055	2.4
95.04977	0.5
95.08037	0.6
95.08609	5.7
97.02908	1.0
97.06515	0.5
105.07038	10.0
107.08601	4.2
109.02915	0.7
109.10170	4.3
117.07042	1.7
119.08592	39.0
120.08118	0.7
120.08872	0.4
121.02885	0.4
121.10132	2.7
123.11755	0.4
127.03915	1.1
129.10262	1.0
130.10591	0.3
131.04976	0.3
131.08562	1.3
133.10144	28.6
135.11723	3.4
136.07608	0.8
137.09639	1.6
144.06473	0.3
145.04982	0.6
145.10114	1.3
146.10820	0.4
147.11702	4.2
149.06027	0.5
149.13261	0.5
151.14827	0.6
160.12479	1.4
161.06010	0.4
163.03932	1.5
173.13284	1.1
175.14838	100.0
176.15154	1.1
177.05576	0.4
177.16414	0.9
193.15897	10.7
196.70409	0.4
209.08112	0.6
215.14110	0.5
228.06760	0.4
270.03766	0.3
287.05493	0.5
556.03815	0.4
646.97662	0.4
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	0.3
53.64529	0.3
55.05515	2.1
57.03419	0.4
57.07068	0.4
61.02924	0.3
65.03931	0.4
67.05502	1.3
69.03423	0.7
69.06725	0.5
69.07069	6.5
70.06588	2.3
70.08121	1.0
71.04971	0.8
79.05478	0.7
81.03412	0.7
81.07053	2.5
83.04994	0.4
83.08621	1.4
84.08144	2.8
85.02910	2.8
85.06516	0.4
86.09707	0.5
87.00849	0.3
91.05492	3.4
93.07043	1.9
95.04974	0.4
95.08603	4.5
97.02911	1.5
98.21567	0.3
103.05445	0.7
105.07034	7.6
107.08595	3.7
109.02882	0.4
109.10157	3.9
117.07031	0.9
119.08587	33.8
120.08083	0.9
120.08858	0.4
121.02870	0.5
121.06473	0.4
121.10149	2.1
127.03910	0.9
129.10233	0.9
131.04970	0.3
131.08589	1.1
133.10135	23.8
135.11702	2.7
136.07582	0.6
137.09621	1.8
143.08559	0.4
145.04939	0.7
145.10139	1.4
147.04449	0.5
147.11702	4.1
149.13280	0.4
151.14825	0.7
159.11647	0.5
160.12498	0.8
161.05962	0.4
163.03902	0.8
173.13254	1.2
175.14828	100.0
176.15161	1.2
177.16341	0.8
183.14944	0.3
193.15886	9.7
193.17664	0.5
209.08081	0.7
210.08421	0.4
215.07025	0.5
249.05965	0.4
259.09583	0.4
387.48019	0.3
620.22174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.9
53.03939	5.1
55.01864	4.7
55.05515	48.7
56.87313	1.4
57.03437	13.3
57.07079	18.6
65.03963	2.8
67.05508	44.0
69.03430	3.1
69.03783	1.2
69.07076	58.1
69.88485	2.8
69.88873	3.2
70.46174	1.2
71.05003	2.6
71.08636	11.5
73.02919	3.1
73.06585	1.7
74.02670	1.2
76.54639	1.3
79.05067	2.7
79.05497	39.1
81.03411	3.3
81.07062	51.7
83.04978	10.8
83.08145	2.6
83.08627	47.2
85.06551	3.7
85.10182	4.6
87.04453	1.9
89.06023	6.2
91.05488	33.3
93.07049	41.6
95.04974	9.3
95.08046	2.0
95.08613	23.4
97.05971	1.3
97.06516	8.5
97.10175	30.7
98.21450	1.7
99.08070	2.7
105.07035	25.4
107.04933	5.2
107.08604	24.4
109.06509	6.7
109.10163	10.2
111.08079	4.3
111.11712	6.2
112.08694	1.3
115.05487	1.4
117.07057	12.3
119.08584	20.1
121.06493	3.7
121.10158	15.1
123.08041	2.4
123.11733	2.9
125.09609	3.9
125.13292	2.1
129.07036	2.8
131.08597	18.2
133.08583	3.3
133.10135	18.5
135.08015	3.9
135.11685	13.8
137.09608	3.0
143.07396	1.3
143.08566	4.0
145.10149	11.6
147.11664	5.9
149.09608	4.7
149.13261	8.2
151.11140	2.2
157.10103	4.1
159.11717	10.2
161.13289	1.7
163.11153	3.9
165.12778	1.5
169.10124	1.5
171.11688	2.0
173.11745	1.5
173.13255	4.1
177.12761	3.2
195.13788	6.1
199.14812	2.0
217.15933	3.3
235.16960	1.5
237.22179	7.4
239.18056	3.3
247.20459	2.7
251.16292	1.9
255.15933	6.6
257.18948	8.4
267.15912	3.9
269.17435	11.4
275.20096	26.3
291.19592	4.9
293.21069	2.0
311.25809	74.8
312.26025	1.5
331.22723	2.5
349.23795	19.6
388.72305	1.5
465.35657	2.9
491.37265	24.6
505.38922	100.0
506.39008	2.8
524.53949	1.5
526.41370	1.4
536.12891	1.8
545.41803	2.4
585.45215	16.6
603.45886	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	639.1929
Annotation	Scutellarein 7,4'-dimethyl ether 6-sophoroside
Peak:m/z	Relative Intensity
51.86956	0.2
56.96579	0.2
57.03432	0.2
62.92903	0.2
69.04420	0.1
69.59206	1.1
70.06607	0.6
81.03417	0.2
84.08189	0.2
85.02912	0.4
91.05511	0.2
95.04972	0.3
98.97577	0.3
100.60583	0.2
118.47879	0.2
121.02889	0.5
136.07616	0.4
137.07901	0.2
143.00288	0.2
147.04446	0.2
148.05193	0.3
149.01263	0.2
149.30777	0.2
153.01865	0.5
163.03943	0.7
177.05565	0.2
229.04968	1.9
237.02699	0.2
257.04483	4.0
272.06815	9.5
283.05917	0.3
285.04099	0.9
299.05414	1.2
300.06314	35.9
301.06741	0.6
315.08643	100.0
316.08978	1.5
405.31573	0.2
477.13596	0.2
545.95508	0.2
639.19800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1926
Annotation	Scutellarein 7,4'-dimethyl ether 6-sophoroside
Peak:m/z	Relative Intensity
56.96584	0.1
70.06602	0.2
70.35847	0.2
70.36241	0.2
72.93496	0.1
79.41348	0.1
80.11827	0.1
85.02888	0.2
86.43845	0.1
149.05956	0.1
151.03865	0.1
153.01793	0.1
163.03926	0.2
164.04269	0.1
167.03462	0.3
201.15916	0.1
229.04930	0.9
257.04486	2.3
272.06805	6.8
283.06091	0.2
285.04028	0.6
299.05426	0.9
300.06308	35.6
301.06662	0.3
315.08636	100.0
316.09039	1.0
327.78882	0.1
340.78870	0.1
365.63919	0.1
395.42227	0.1
477.13983	13.8
478.14496	0.2
603.39337	0.1
639.18701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04969	1.3
69.40352	1.2
73.47766	1.3
98.55688	1.2
99.55251	1.4
104.57175	1.5
112.40183	1.2
114.35118	1.3
137.54715	1.0
171.24701	1.1
174.09079	1.4
183.09297	1.6
208.09753	1.5
209.10727	3.1
210.11598	4.1
211.12256	2.7
221.10947	2.0
223.12303	3.4
224.75981	1.5
225.10255	1.8
225.13789	3.1
226.14613	1.5
236.09557	1.4
237.10300	2.4
237.13956	2.4
239.08185	1.6
239.15436	2.6
251.11874	1.9
253.09674	1.3
253.13408	2.6
265.09775	2.5
265.13574	1.5
266.14169	3.6
267.14804	3.4
325.11884	1.4
338.16525	1.4
389.17166	1.3
401.17969	1.5
403.19406	3.2
407.18536	2.1
416.20193	2.3
417.21228	2.2
421.24365	3.0
422.21127	2.9
423.21951	7.0
430.17551	2.0
431.18509	4.0
432.23083	1.9
433.23938	5.3
434.17245	2.2
435.18243	4.6
436.18405	2.2
437.23447	4.7
444.19403	5.6
445.19647	6.8
449.19559	3.8
450.20477	1.8
451.21469	2.2
459.21878	46.6
460.22632	8.3
461.23846	7.4
463.21420	2.8
465.23083	10.2
473.23492	2.9
475.21411	2.7
479.20822	2.8
487.24954	2.6
492.21036	6.9
493.22046	7.0
502.19644	1.9
504.21054	2.2
519.24048	7.3
520.20428	2.7
531.24261	2.0
536.24384	2.0
547.27124	21.0
551.26459	3.1
561.25037	2.5
563.26434	2.6
564.23590	1.9
565.23938	1.9
574.25000	1.6
578.26337	1.6
579.25824	10.1
580.26758	14.3
589.24445	6.6
591.26306	2.2
592.22583	2.3
593.24133	3.1
596.26349	6.0
597.26563	2.2
606.28436	82.1
607.25549	20.0
610.27588	3.7
611.28552	16.9
621.27429	3.9
622.28131	7.6
624.25549	2.9
639.28064	100.0
640.28241	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.10135	0.5
69.07065	0.6
69.19074	2.3
69.19495	2.9
79.05532	0.7
80.42911	0.5
107.89222	0.5
109.10171	0.6
158.68991	0.5
205.48338	0.7
209.10797	0.7
300.51508	0.6
313.15567	0.6
325.15924	0.6
326.16388	0.7
376.17050	0.7
377.17767	2.0
378.18497	1.8
387.19604	0.8
389.17734	1.2
390.18613	1.9
391.19199	5.9
392.19995	4.5
393.21213	1.3
403.19342	1.2
404.20078	2.3
405.20828	12.1
406.21426	5.5
407.22333	12.9
417.21277	1.4
418.21591	1.9
419.22552	6.8
420.23151	6.1
421.17560	1.3
421.23849	20.0
422.18085	1.0
422.24597	3.6
431.18359	1.0
433.24387	4.9
434.24817	2.0
435.18283	2.7
435.25513	2.2
436.18710	2.7
437.19943	0.7
445.20474	1.9
446.20630	1.0
447.21509	1.7
447.26218	1.6
448.26187	1.6
449.19592	1.1
449.27606	0.7
450.20221	1.5
450.70782	0.6
451.21344	16.1
452.22040	4.1
459.21628	0.7
460.22629	1.7
461.23816	0.9
463.21957	1.4
464.21957	0.8
465.22913	21.1
466.23553	2.2
473.19962	2.3
475.20880	1.6
476.22092	0.9
477.22873	1.9
478.23840	1.8
479.24536	1.6
487.21109	3.1
488.22211	2.1
489.23285	0.8
491.20801	1.7
492.21600	1.9
493.26202	3.0
501.22906	3.2
502.23239	0.7
503.24469	15.7
504.25055	2.0
505.22269	1.0
506.23254	0.7
507.27628	13.4
508.28238	3.3
519.23920	0.7
523.23480	4.3
533.25958	1.3
535.27100	17.3
537.25104	10.9
551.26715	7.0
552.27319	26.0
553.27460	0.8
561.24817	5.5
562.24976	0.9
579.25964	11.0
580.26593	4.8
581.27112	0.7
593.27777	1.3
595.29120	8.9
611.28156	0.9
621.27112	23.4
622.27704	0.8
639.28168	100.0
640.28149	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	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.75293	0.3
52.34743	0.3
58.68427	0.3
67.86183	0.3
70.19883	0.4
70.20235	1.4
79.05490	0.5
81.07061	0.6
91.05487	0.5
93.07014	0.5
94.06589	0.4
95.05015	0.4
102.73609	0.3
105.07030	0.6
123.70496	0.4
172.04024	0.4
181.19302	0.3
225.10309	0.4
227.11932	0.6
237.10275	0.5
249.10242	0.5
250.11018	0.3
251.11821	0.4
253.13441	0.6
257.99698	0.3
263.07776	0.4
302.13031	0.3
311.04819	0.3
311.14316	0.5
324.14810	0.3
326.12912	0.4
340.14484	0.6
369.15134	0.4
372.13574	0.3
391.15277	0.4
392.16306	0.7
393.16885	0.6
393.21091	0.6
404.15924	0.4
405.17044	1.0
406.18219	0.7
407.18515	2.1
408.19003	0.4
415.18863	0.5
419.14343	0.6
419.18845	1.5
420.15372	0.7
420.20160	0.8
421.20367	6.0
422.20944	1.4
423.21759	1.0
432.19623	0.5
433.15521	0.4
433.21268	1.7
434.17554	1.4
435.17554	3.1
436.22971	2.5
445.16757	0.9
447.22180	1.4
448.18771	2.5
449.19702	11.2
450.20496	3.2
451.21399	0.5
459.18185	0.9
460.18808	0.5
461.19769	1.5
462.20578	0.8
463.21533	5.3
464.22156	5.9
465.22873	1.4
473.19659	0.6
474.20688	1.0
475.21460	2.3
477.18610	5.7
478.19958	2.5
479.21030	1.0
491.20801	1.0
492.21613	1.0
493.22430	0.8
504.21307	0.6
505.22073	0.8
507.23859	1.3
509.25092	0.5
519.24359	0.4
523.22961	2.0
533.22021	1.5
535.23651	4.2
536.24353	1.6
537.21484	1.1
550.25897	1.0
551.26581	3.1
561.24994	3.4
563.23010	0.8
564.23749	4.6
565.24335	2.6
579.26007	7.2
580.26416	0.5
581.24109	0.8
592.22711	0.5
595.25653	3.2
596.26239	0.7
607.25861	0.7
610.27802	0.8
611.28973	0.5
621.27209	4.1
624.25983	5.1
639.28143	100.0
640.28571	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	639.2822
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
52.42515	0.7
54.28669	0.6
55.01834	0.7
55.05515	1.4
67.05511	1.5
69.07106	0.8
70.20650	1.9
71.56886	0.7
74.07873	0.6
79.05492	2.0
81.07071	2.0
91.05502	1.6
93.07039	2.4
95.08649	1.2
98.20783	0.8
105.07061	2.6
107.08618	1.1
109.06541	0.7
109.10161	0.8
117.06978	1.1
119.08595	1.0
123.63531	0.7
131.08582	0.7
132.08174	1.1
133.10178	0.9
138.41820	0.6
145.77170	0.7
174.09253	0.7
183.09288	0.7
199.08801	0.9
209.10675	1.6
210.11514	1.5
211.12323	0.8
221.10768	2.0
222.11476	1.5
223.12358	2.8
224.13104	2.0
225.06631	0.8
225.13902	2.0
232.09888	0.7
235.12328	3.2
236.13060	2.0
237.13959	3.7
238.14651	2.8
239.15440	2.0
247.12387	1.3
249.10213	1.2
249.13953	3.0
250.14720	1.0
251.11830	1.2
251.15508	3.1
252.16176	1.1
261.13998	1.9
262.14471	0.8
263.11911	1.3
264.12598	1.4
275.15091	0.9
279.14981	2.9
289.17255	0.7
299.10315	1.4
312.14774	1.4
352.18143	0.8
363.42920	0.7
364.17746	0.8
365.17844	1.1
376.18213	1.5
378.19543	0.9
379.19281	2.2
391.15417	1.1
392.16617	1.6
393.16870	1.9
395.18094	0.9
398.50986	0.7
403.18307	0.7
405.21237	1.1
406.17798	1.3
407.18417	3.8
409.20200	1.1
410.20996	1.5
410.96161	0.7
417.16910	0.9
418.18079	0.8
420.19879	0.9
421.20465	1.2
422.21271	3.9
423.21667	2.8
425.20410	0.7
431.18436	1.1
433.16180	0.9
434.17490	1.6
435.17786	2.0
436.18945	1.5
437.19040	0.8
445.20255	0.9
446.20441	1.0
450.20425	2.1
451.21387	2.1
463.22113	1.0
465.22949	0.9
467.20905	0.9
475.21762	1.6
477.19714	1.0
479.20901	1.4
481.25977	2.0
482.23032	1.5
491.19861	1.2
492.21744	1.9
493.22363	1.1
494.23990	2.5
496.24762	1.3
507.20264	0.8
509.25665	17.5
510.25049	1.1
519.24371	3.3
521.21844	1.1
522.22540	1.8
526.27057	1.5
533.25153	1.0
535.27087	1.4
536.24268	1.6
537.25104	14.6
541.28387	1.0
547.23376	1.2
551.26746	4.2
561.25226	7.2
562.24969	1.2
563.26410	1.3
564.23822	1.2
565.24475	16.3
566.24744	1.3
567.29791	2.1
569.27716	18.5
579.25726	5.2
589.24237	1.9
595.29419	0.9
596.26324	3.4
597.27136	100.0
598.27197	3.1
607.25537	7.1
611.28693	11.0
621.27191	12.9
622.27222	2.6
639.28253	28.1
639.40167	4.2
640.28094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2818
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05512	0.4
59.45127	0.2
67.05492	0.5
69.07079	0.4
70.92653	0.2
71.06557	0.2
71.06884	0.5
73.86348	0.2
74.05958	0.3
76.18615	0.3
79.05502	0.7
81.07076	0.7
91.05511	0.4
93.07068	0.5
94.06583	0.3
95.04988	0.6
95.08585	0.5
105.07065	0.5
107.08602	0.3
119.08583	0.6
130.67224	0.2
192.02451	0.3
204.10204	0.4
209.10753	0.3
276.25787	0.3
287.73489	0.3
292.12378	0.2
305.09485	0.3
314.12885	0.3
328.14420	0.3
358.65872	0.3
363.16544	0.3
375.16367	0.3
376.17035	0.4
377.17740	1.4
379.19278	0.6
389.17612	0.5
390.19025	0.5
391.19693	1.7
392.20053	1.0
393.21036	1.4
394.21280	0.4
403.15414	0.3
404.16199	0.5
404.20929	0.4
405.16464	2.4
405.21033	0.9
406.17767	0.8
406.22342	0.4
407.22699	3.8
408.23230	0.5
417.16953	0.5
418.17642	2.2
419.18341	4.1
419.23553	0.3
420.19131	1.8
421.20416	2.8
422.20953	0.3
423.21954	0.7
429.17462	0.3
431.19037	0.4
432.19833	0.4
433.20337	10.6
434.21234	5.0
435.22076	6.3
436.22424	1.1
446.21362	0.5
447.22659	1.9
448.23370	0.5
449.19733	5.4
450.20648	0.8
460.88080	0.3
461.19916	0.9
462.20572	0.4
463.22180	1.8
464.22513	1.8
465.23389	2.2
466.24374	0.4
474.20389	0.5
475.21509	0.4
477.18890	0.7
478.19754	0.7
479.21118	1.8
481.22754	0.3
491.20322	1.2
492.21402	3.9
493.21786	4.1
495.23755	0.3
505.22363	2.3
506.23648	0.5
507.24100	1.0
519.23743	1.1
520.25134	1.2
521.25708	9.5
522.26251	0.4
523.26898	0.9
524.24292	0.6
533.21960	0.4
535.23358	0.7
537.22192	0.9
547.23621	0.9
548.24591	0.5
549.25220	0.6
550.25885	0.4
551.26892	1.3
553.29010	0.3
561.24567	0.6
564.23938	0.3
565.24310	1.4
579.26141	18.9
580.26532	2.0
581.27582	1.9
597.26953	1.2
607.25629	1.9
611.28461	0.4
621.27478	0.4
639.28198	100.0
640.28680	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	639.2821
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03953	1.9
55.05511	4.0
59.06137	1.5
67.05521	7.0
69.07069	2.1
71.08646	1.9
71.55071	1.8
74.09692	1.4
79.05511	4.8
81.07068	6.3
83.08641	1.8
83.53667	1.6
84.34518	1.4
91.05498	5.8
93.07066	4.7
94.21349	1.4
95.04961	2.9
95.08627	4.6
97.06529	1.3
105.07057	2.6
107.04981	1.6
107.08612	2.9
109.10176	2.7
117.07069	1.9
119.08607	2.7
119.34772	1.5
121.10184	2.6
129.07083	1.4
131.08586	1.9
133.10150	2.3
147.08138	1.5
159.11699	1.7
188.61856	1.6
189.18846	1.7
313.27072	1.5
390.18768	2.3
401.18115	2.4
402.18869	2.3
403.19363	4.8
404.19907	7.1
405.20877	4.4
413.17883	2.5
415.19174	4.2
417.20987	4.4
418.18140	2.2
419.22488	4.6
428.20413	1.7
429.20947	2.2
430.22144	2.2
431.22958	2.4
433.19916	8.7
445.20325	4.8
446.21228	3.1
447.21677	7.2
458.21210	1.7
459.21912	4.5
469.20383	3.0
471.21661	2.9
473.19748	4.5
473.24683	2.2
474.20355	2.5
475.21484	6.1
481.16885	1.6
483.22305	3.2
484.22137	2.2
487.21408	6.5
488.22098	4.9
489.22421	2.2
491.21225	5.8
498.42224	1.9
501.23386	8.4
502.24088	5.2
506.27145	3.5
519.24316	2.8
531.24487	1.8
533.25439	8.2
534.26636	10.6
559.23541	1.8
560.24280	2.3
561.24939	61.2
562.25769	3.0
571.23413	5.4
589.24146	10.9
596.26569	2.1
603.26208	5.5
607.25928	2.3
621.27124	100.0
622.27277	4.4
639.28247	72.4
639.41040	9.7
640.28455	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	639.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76361	1.1
53.03921	1.2
67.05524	6.0
69.07076	1.7
71.54870	1.7
79.05501	5.1
79.93742	1.2
81.03446	2.7
81.07072	3.9
83.08602	1.9
91.05475	3.3
93.07050	3.8
95.04968	1.4
105.07037	2.3
107.08616	1.8
109.10209	1.1
119.08614	2.1
120.04491	2.8
120.08115	6.4
122.09710	2.4
131.07370	1.3
131.08559	1.2
133.10161	2.4
136.07574	1.4
146.05986	2.2
148.07523	1.2
150.09200	2.2
172.03949	7.1
184.09987	1.4
195.09286	1.6
197.10799	1.7
204.06554	9.4
211.08792	2.6
223.08818	1.3
223.12282	1.3
225.08337	1.3
225.10252	5.2
227.11887	5.1
235.08861	1.3
235.12296	1.5
237.10359	2.8
249.10271	3.5
250.11024	2.1
250.32387	1.4
251.08156	1.1
251.11903	4.2
253.13396	2.7
261.10318	1.5
263.08203	2.1
264.08896	2.3
265.09637	1.2
266.33185	1.2
279.11411	5.3
285.12476	3.4
290.13165	1.6
297.12204	1.6
298.13452	1.4
301.15677	1.6
307.10828	1.8
309.12564	1.8
311.14075	2.6
312.11743	1.4
314.12939	3.8
325.12009	2.7
326.12927	3.1
327.13947	1.5
328.11057	2.1
328.14645	4.3
339.13669	2.9
340.10779	1.3
340.14465	2.0
341.11636	1.4
341.15454	1.8
342.12421	5.8
342.16135	2.7
354.12350	2.9
355.12988	2.9
356.13989	4.8
356.17819	2.0
357.14688	2.8
358.15619	2.4
366.16257	1.8
367.13654	1.4
368.14145	3.6
369.14600	1.9
370.15677	5.4
371.16241	2.6
382.15967	2.0
383.16312	2.8
384.17194	6.2
396.13486	1.7
398.14706	1.9
410.15005	1.8
412.16785	3.9
419.14804	2.0
426.18176	3.5
431.19290	1.5
433.16284	2.0
434.17142	2.0
435.18393	3.3
442.17831	3.4
444.19275	12.3
447.18121	2.2
449.19168	5.6
462.20908	1.6
463.21756	2.4
465.22830	2.3
470.17181	4.1
479.20712	1.4
491.20261	1.4
502.20169	2.0
504.21304	1.9
505.22467	2.2
519.24084	2.4
542.96509	1.3
551.26715	18.0
579.26154	16.2
589.24792	2.5
597.27014	1.7
607.25537	13.0
611.28693	69.2
612.28857	3.1
639.28162	100.0
640.28290	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	639.2819
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
55.05503	1.9
55.09635	1.4
57.07133	1.5
67.05514	6.2
67.44656	1.5
69.07056	1.9
70.66183	1.7
71.55422	2.1
79.05496	6.6
81.03442	1.5
81.07072	4.2
83.08649	1.9
91.05486	4.4
93.07059	6.5
95.04969	2.1
97.02964	1.7
97.06528	1.8
99.50791	1.6
103.70953	1.5
105.07073	4.9
109.02884	1.5
116.05037	1.8
116.41116	1.6
119.08626	1.5
120.08146	8.4
122.09705	2.9
131.08585	3.5
144.04485	2.0
144.08093	1.7
147.11758	1.7
150.09157	1.9
163.75328	1.5
172.03999	6.9
204.06505	9.1
209.11038	1.9
211.08730	3.1
225.10237	4.0
227.08255	1.8
227.11929	5.5
235.08812	1.7
249.10353	5.6
251.11859	1.9
253.09807	2.5
253.13487	2.2
272.13239	1.7
277.09857	3.4
279.11374	6.5
285.12552	3.5
298.13522	2.4
307.10852	2.1
309.12689	2.0
311.14056	2.6
314.13153	2.5
325.12155	2.2
326.13098	1.9
327.13699	2.4
328.14606	5.3
339.13678	4.8
340.10837	1.9
340.14642	3.7
342.12665	6.8
342.16318	2.0
354.12326	2.9
354.16324	3.0
355.13538	2.8
356.14063	4.6
357.14694	3.9
358.15869	1.7
366.16412	2.3
367.13751	1.8
368.14075	4.2
369.15179	1.9
370.15533	4.0
371.16260	2.6
382.15704	3.0
384.17334	3.9
398.15030	2.0
405.13464	2.2
410.15344	2.2
412.16663	3.7
416.19904	2.0
419.14905	2.4
426.18283	3.5
430.17725	1.6
433.16797	2.6
434.17841	2.4
435.18018	2.3
444.19363	10.3
449.20035	6.3
452.16235	1.7
465.22958	1.8
470.17734	4.5
502.20154	2.3
519.24280	2.1
551.26477	19.1
579.26349	20.4
589.24384	2.3
607.25464	13.4
611.28650	80.5
612.29474	2.3
621.26660	3.3
639.28253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78144	2.3
58.85629	1.9
71.55685	3.8
81.07045	3.7
92.23750	2.0
93.07047	4.6
95.08598	2.9
105.07056	2.2
130.49551	2.0
133.41440	2.1
141.51489	2.2
162.62852	2.4
197.20747	3.1
240.26907	2.5
389.17654	3.1
403.19617	2.7
404.20154	5.0
405.20685	12.0
419.22278	8.1
420.23047	2.7
431.22653	2.7
433.23715	3.5
447.21640	9.0
449.19659	9.4
459.21866	2.5
463.21536	8.6
464.22256	4.8
465.22919	7.4
467.37930	3.0
477.22787	4.0
478.23798	5.5
479.24451	32.5
487.21640	2.8
491.20151	3.0
493.26038	27.8
503.24536	3.1
519.23633	4.6
523.23633	14.5
525.24609	2.3
537.24921	35.4
547.23145	5.2
551.26477	19.8
552.27332	93.8
553.27612	4.8
565.11237	2.7
579.26117	12.9
607.25916	11.8
639.28198	100.0
640.28857	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	639.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01870	1.9
55.05307	0.4
55.05525	4.1
56.51814	0.5
57.03444	2.8
59.05016	0.6
61.02932	4.0
65.03953	1.2
67.05167	1.1
67.05511	14.8
69.03426	4.4
69.07063	1.8
69.81529	2.3
71.04994	1.8
73.02915	2.5
79.05496	10.5
81.02982	1.1
81.03428	16.0
81.07071	7.6
83.04991	3.2
83.08658	3.0
85.02913	4.6
85.06591	0.7
89.03933	1.0
91.03970	2.6
91.04966	0.8
91.05492	10.1
93.07053	7.6
95.04994	5.0
95.08620	4.0
97.02894	5.5
97.06538	2.8
97.10186	1.0
99.04461	1.8
101.02410	1.3
103.03959	0.6
103.05460	0.9
105.07040	5.9
107.04969	2.8
107.08591	4.5
109.02898	2.0
109.06518	1.8
109.10172	8.4
111.08104	1.5
115.03925	0.6
115.05479	1.0
117.03410	1.4
117.07034	2.3
119.04944	0.9
119.08585	5.9
121.06498	1.0
121.10173	3.0
123.04415	0.8
123.08102	0.6
123.11729	0.9
127.03929	1.6
129.07030	3.5
131.04988	0.5
131.08598	3.5
131.77942	0.7
133.02946	0.8
133.06554	0.8
133.10167	2.5
135.03505	0.5
135.04428	2.5
135.11749	2.3
137.09604	0.8
142.07874	0.5
145.02901	1.5
145.06532	0.7
145.10138	2.3
147.04404	2.2
147.08116	0.9
147.11696	2.4
149.09669	0.8
155.08630	0.7
157.06500	1.0
157.10150	2.8
159.04442	0.9
161.02487	1.0
163.03931	11.3
163.11185	4.2
169.06430	0.7
173.02374	1.6
173.06105	1.5
173.09569	0.8
173.11787	2.1
175.11166	2.6
176.11980	1.0
177.05544	0.6
183.10457	0.5
185.06055	0.9
187.03960	2.1
193.12274	5.3
195.10013	0.8
197.05981	1.2
199.03958	1.7
209.11752	1.1
211.13287	1.7
213.05518	2.4
225.05481	1.2
227.12827	2.4
229.14407	1.1
239.07230	0.6
243.08562	2.8
249.10968	4.8
267.16010	2.4
305.13678	1.1
311.12817	1.1
311.16336	0.6
319.13025	0.6
327.36179	0.6
337.14301	4.4
355.15265	3.3
371.93173	0.6
411.18008	0.7
413.17862	8.7
429.19171	7.1
459.27612	2.1
460.28198	0.8
467.19061	6.9
477.15442	1.3
477.28815	1.3
495.29608	0.8
529.26367	0.8
547.26776	1.7
565.27856	1.6
603.29730	1.7
621.30865	6.1
639.29962	100.0
640.30286	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	639.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01864	1.6
55.05515	4.4
56.96558	0.6
57.03447	2.7
58.28200	0.6
61.02926	4.2
67.05173	0.9
67.05508	13.1
69.03427	4.8
69.07070	2.5
71.01341	1.0
71.04987	1.8
73.02917	3.6
79.05501	9.8
81.03425	15.9
81.07065	8.8
81.93773	0.5
83.04977	5.3
83.08171	0.7
83.08617	4.0
85.02911	6.0
85.06547	0.8
87.69875	0.4
91.03963	2.9
91.04996	0.5
91.05482	12.8
93.07048	5.9
95.04967	5.7
95.08589	3.0
97.02912	6.3
97.06518	2.3
97.10175	1.0
97.37410	0.5
99.04446	1.4
101.02402	1.5
103.03917	0.5
105.07034	7.1
107.04960	2.6
107.08592	2.7
109.02878	2.2
109.06531	1.6
109.10157	8.5
111.04452	1.6
111.08081	1.0
115.05433	0.7
117.03403	0.8
117.07000	1.8
119.04955	1.1
119.08584	5.5
121.06521	1.2
121.10128	2.7
123.04469	0.6
123.08046	1.5
123.11703	0.6
123.16979	0.5
125.09605	0.8
127.03916	2.6
128.06198	0.7
129.05423	0.6
129.07007	4.3
131.08575	2.3
133.06506	0.9
133.10136	4.4
135.04369	0.8
135.11687	1.0
145.02846	0.8
145.06497	0.8
145.10133	2.0
147.04420	2.2
147.08069	1.6
147.11713	3.1
149.09613	2.0
155.10721	0.7
157.06454	0.9
157.10110	3.1
161.02277	0.5
161.09758	0.6
163.03900	4.6
163.11174	2.1
165.12799	0.5
173.02295	1.2
173.11749	2.1
175.11160	3.6
176.11984	0.6
187.03928	0.7
187.07724	0.5
189.08890	0.5
191.10698	0.7
193.12265	6.8
209.11728	0.8
211.07759	0.5
211.13269	4.3
213.05511	1.0
227.12793	1.0
229.14371	1.3
231.06625	0.5
243.08499	1.7
249.10818	0.6
249.14830	0.6
267.15933	10.2
285.16956	1.2
337.14380	2.2
355.15680	0.6
413.17789	7.4
429.19385	1.6
441.86725	0.5
456.11926	0.5
459.27383	7.4
467.18802	6.3
477.28568	2.0
603.30054	1.0
621.32098	2.5
639.29889	100.0
640.30249	3.2
641.39398	0.6
658.62628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.1
53.04984	0.7
55.01880	5.7
55.05258	1.4
55.05518	19.1
57.03441	10.1
65.03944	2.4
67.05511	23.1
69.03436	13.1
69.07072	6.8
71.05002	5.6
77.03964	1.1
79.05501	25.7
79.86562	0.7
81.03426	100.0
81.07064	28.0
83.04989	17.6
83.08633	19.0
85.02911	21.3
85.06575	1.7
91.05489	30.9
93.07053	18.2
95.04976	27.0
95.05556	1.5
95.08616	9.1
97.02898	13.0
97.06548	5.2
97.10183	6.4
99.04465	4.6
99.08139	0.9
103.05444	0.8
105.07043	22.4
106.46176	0.8
107.04965	8.2
107.08602	10.9
109.02897	13.4
109.06513	5.1
109.10181	3.3
111.04450	11.5
111.08093	10.6
113.06040	2.3
115.05446	1.8
117.07039	4.7
119.04971	1.7
119.08591	19.6
121.06527	4.0
121.10157	8.7
123.04476	3.0
123.08108	2.2
123.11728	3.2
125.05975	0.9
125.09691	4.1
127.03941	9.0
128.06271	1.6
129.05489	1.2
129.07027	10.4
131.04971	1.9
131.08588	11.7
131.09506	0.9
133.06502	3.7
133.10146	9.8
133.11082	1.2
135.04439	0.9
135.08098	1.6
135.11731	2.3
137.06049	1.8
137.09656	2.3
141.06999	1.0
142.07828	2.6
143.08543	1.3
145.06551	1.2
145.10158	3.4
147.08063	4.1
147.11691	15.5
149.06012	2.1
149.09647	8.2
153.09164	1.1
153.12782	2.4
155.08609	1.4
157.10132	12.2
159.07985	1.2
159.11714	1.1
161.06015	1.3
162.01244	0.9
163.03903	1.9
163.07591	0.9
163.11191	4.6
165.12759	5.2
171.11752	1.4
173.04520	2.8
173.05872	0.8
173.09776	0.8
175.11191	11.9
181.10504	0.8
181.12268	3.6
183.06648	1.1
183.08176	0.9
185.06053	0.8
185.09656	0.9
189.05605	1.3
189.11252	2.2
189.12808	1.2
191.10725	2.8
193.12253	41.7
195.08043	0.8
199.04025	1.2
209.11772	1.4
211.13316	62.1
212.13783	0.9
227.12741	5.2
229.14375	1.7
235.13452	2.1
237.63503	0.8
241.92567	0.9
249.14909	2.7
259.13458	1.2
267.09244	1.7
267.15945	21.7
273.14941	2.6
277.14377	1.8
283.15582	2.1
285.10193	2.8
285.17007	13.6
289.14468	0.8
291.15781	1.1
301.14142	4.4
313.16565	1.0
319.15567	3.1
337.16721	3.0
351.18411	1.1
355.18124	5.5
367.22858	1.8
375.18301	1.3
385.23706	3.9
389.97629	0.8
393.19235	3.2
403.24802	1.0
411.20282	5.4
429.21255	3.3
459.27365	8.2
477.28619	12.1
495.29639	16.4
495.36441	1.2
501.28644	0.9
511.28537	1.1
519.29633	1.7
521.20752	0.8
561.30371	1.6
573.30402	1.1
585.30804	2.4
603.31805	2.6
621.32550	11.3
639.33826	41.8
640.34357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18958	0.7
53.03951	7.5
53.26410	0.7
55.01878	5.7
55.05263	1.7
55.05517	21.1
57.03448	10.0
58.52586	0.7
59.05025	1.1
59.92889	0.7
61.02924	0.8
65.03941	3.2
67.05513	27.9
69.03439	15.3
69.07076	7.9
71.01358	1.1
71.05005	7.5
73.02928	1.7
79.05505	30.6
81.03427	100.0
81.07066	33.2
83.04990	23.0
83.08630	23.9
85.02914	21.3
85.06540	1.9
91.05493	36.1
93.07056	19.2
95.04982	27.0
95.08613	9.1
97.02905	14.0
97.06529	7.8
97.10172	6.8
99.04470	3.9
99.08112	1.1
103.05492	1.7
105.07047	23.4
106.72086	0.8
107.04983	9.6
107.08609	10.9
109.02902	15.3
109.06509	6.0
109.10189	4.1
111.04456	13.6
111.08099	11.2
111.16978	0.8
113.06023	2.5
115.05495	2.7
117.07028	4.3
119.04937	1.2
119.08602	20.1
121.06517	5.5
121.10151	11.3
123.04436	2.5
123.08097	2.9
123.11719	2.1
125.02415	1.1
125.09676	4.4
127.03932	8.4
128.06264	1.5
128.81158	0.8
129.05501	2.0
129.07005	12.8
131.04982	1.2
131.08588	13.9
133.06526	5.2
133.10155	10.3
133.11092	1.2
135.04482	1.4
135.08063	1.8
135.11722	3.2
137.05940	1.0
137.09602	1.9
141.07022	1.8
141.39861	0.8
142.07799	2.3
143.08575	1.3
145.06503	2.1
145.10175	4.2
147.04416	2.3
147.08073	4.3
147.11705	17.5
149.05984	1.6
149.09645	6.4
151.11125	1.1
153.09064	1.0
153.12767	3.0
155.08598	1.5
155.56711	0.8
157.10165	15.0
159.04437	0.9
161.06023	1.4
161.09564	1.0
163.03966	4.2
163.11172	4.1
165.12761	5.7
169.10228	1.2
173.02394	1.0
173.04510	1.6
173.05945	1.0
173.09660	2.6
175.07721	0.8
175.11191	16.5
181.12218	4.9
183.13866	0.9
187.03975	1.8
187.11299	1.0
189.05550	0.9
189.11185	1.4
189.12750	1.0
191.10634	4.1
193.12265	46.4
199.03983	1.1
207.13864	1.0
209.11714	1.4
211.13322	63.5
212.13649	1.3
213.05568	1.0
227.12694	5.1
229.14369	1.9
233.15453	1.2
235.13341	2.1
249.14865	1.7
255.13741	1.0
257.04489	1.0
267.09476	0.8
267.15958	22.1
273.14993	3.5
277.14551	1.6
283.15594	1.5
285.10043	1.3
285.17004	13.1
301.14307	4.2
319.15521	2.2
324.11771	0.8
337.16479	2.7
355.18076	5.7
367.22849	2.2
375.18201	1.2
385.23862	3.1
393.19232	2.9
403.24991	1.4
411.20053	6.0
429.21075	3.5
459.27429	8.6
477.15356	1.5
477.28543	11.6
479.37262	0.8
495.29666	12.9
519.29443	1.0
547.27600	1.3
561.30530	0.9
573.30341	1.0
585.30804	2.4
603.31665	2.8
621.32538	12.3
639.33807	44.0
640.34393	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	640.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.5
55.05509	8.2
56.05033	3.9
57.03431	1.8
57.07074	3.8
63.54850	0.9
65.03930	1.2
66.52576	1.1
67.05507	14.1
68.05046	2.7
69.03436	41.9
69.07077	14.4
70.02948	3.5
70.06601	2.3
71.04991	2.4
71.08628	1.5
71.32734	2.2
72.04517	2.2
73.06578	2.0
79.05502	7.1
80.05019	1.9
81.03425	3.1
81.07059	8.5
82.06622	4.7
83.08625	8.5
84.04520	4.7
84.08151	21.5
85.02872	1.0
85.10230	1.3
86.06072	3.8
87.04476	21.3
88.04003	5.8
91.05483	7.3
93.07051	5.4
94.06573	3.9
95.04978	1.8
95.08628	5.8
96.08137	2.4
97.06555	1.5
97.10194	4.8
98.06055	5.0
102.05555	11.2
105.07044	3.1
107.04990	1.4
107.08593	1.8
109.10152	6.1
110.09665	1.1
112.07615	99.9
119.08603	3.4
121.10153	3.2
124.07610	1.1
129.70897	1.0
131.08548	1.9
133.10135	1.5
135.11705	2.5
140.07076	100.0
145.10103	2.5
149.09657	2.1
158.08147	19.1
162.12904	1.1
163.11217	3.6
173.11745	2.0
174.07648	2.7
180.13890	1.5
190.12285	2.4
193.12260	2.6
195.71048	1.0
208.13428	1.7
229.14372	5.5
267.16055	3.4
276.16153	1.3
284.18539	1.3
294.17203	2.8
311.25818	11.4
312.18198	2.0
368.20746	3.0
377.17316	1.3
378.17883	1.6
379.19135	1.1
386.21744	3.1
389.18243	1.8
390.18457	1.3
391.19128	2.6
392.19565	4.9
393.20517	2.3
405.20755	3.5
406.21204	7.1
407.22247	5.4
408.22626	7.5
418.21567	1.3
419.22275	3.3
420.22971	4.1
421.18753	1.3
421.23434	5.8
422.24170	12.6
423.18604	1.5
423.25055	2.8
434.24490	3.5
435.25119	1.4
436.18744	1.6
437.19614	1.9
450.20267	2.7
451.21384	3.7
452.21652	10.5
453.22583	2.9
462.23917	1.3
464.21848	1.3
465.22797	4.3
465.35867	3.7
466.23141	16.2
478.23697	2.1
488.21951	2.2
489.22424	1.9
492.20618	2.2
494.26663	2.2
502.23001	1.2
503.24225	2.1
503.37143	1.5
504.24817	9.9
507.27365	2.3
508.28061	9.5
509.29062	2.2
520.23950	1.4
524.23932	3.0
536.27557	10.8
537.27332	1.3
538.25427	7.3
552.26886	7.2
553.27777	21.0
562.25751	4.1
578.41144	1.9
580.26050	8.7
581.27087	2.8
594.27899	1.2
596.29822	6.5
596.39673	1.2
604.42242	3.1
608.45453	2.5
622.27588	16.7
622.43121	20.0
640.28534	77.6
640.44061	14.0
641.28540	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	640.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01875	4.4
55.05302	2.2
55.05520	26.0
57.03445	25.4
57.06831	4.2
57.07084	57.9
60.99473	2.0
67.05173	4.7
67.05511	70.0
69.07073	36.0
71.04997	4.1
71.08287	2.9
71.08639	39.5
71.46822	4.4
79.05503	47.4
81.03413	3.1
81.07065	85.5
83.04984	9.4
83.08630	27.0
85.06528	5.1
85.10182	19.9
89.06026	7.1
91.04958	4.0
91.05492	46.5
93.07053	46.8
95.04980	11.4
95.08619	57.6
97.06527	9.7
97.10178	13.1
99.08101	3.8
105.07054	37.9
107.04939	8.2
107.08599	31.5
109.06526	6.2
109.10160	25.4
111.08036	3.2
111.11691	2.7
117.07021	18.1
119.08598	22.7
121.06543	4.4
121.10146	17.6
123.08112	4.4
123.11712	10.7
128.06252	2.6
129.07042	5.7
131.08585	22.8
133.10138	20.9
135.08047	4.3
135.11687	11.3
143.08519	4.7
145.10139	18.4
147.11703	12.5
149.09644	9.6
149.13217	11.6
151.11194	2.6
157.10155	6.2
159.11755	12.0
163.11128	5.4
171.11665	3.9
173.13255	6.6
177.12740	4.4
185.13298	2.9
195.13806	6.4
199.14790	5.0
203.14308	3.1
217.15909	4.2
219.17497	2.9
227.13022	2.9
229.14249	2.9
229.19528	2.5
233.25645	2.3
239.17967	3.2
239.23685	8.0
239.58920	2.4
255.15944	9.7
257.18954	8.5
267.16006	4.6
269.17545	20.2
275.20068	36.7
291.19437	5.0
309.20633	3.1
311.25742	4.0
313.27393	100.0
349.23776	21.2
379.27393	2.7
479.16232	2.9
493.17929	4.7
493.38995	11.8
494.18491	4.6
505.39001	15.4
507.40509	93.8
547.43707	20.2
581.22870	8.7
587.46796	17.3
605.48010	4.6
640.24030	3.1
641.25256	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	641.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.2
54.95112	0.1
55.01855	0.2
57.03423	0.1
60.63976	0.1
67.01858	0.1
68.71241	0.1
68.99806	0.2
69.03447	0.6
70.06555	0.1
71.54920	0.1
71.55322	0.1
79.05466	0.2
81.03403	0.3
85.02905	1.2
87.04478	0.1
89.03913	0.3
91.05465	0.2
93.07007	0.2
95.04952	0.2
97.02881	0.4
97.06510	0.3
107.04987	0.3
109.02883	0.2
117.03393	0.1
117.07065	0.1
120.08093	0.1
121.01828	0.1
121.02857	0.2
122.03625	0.3
123.04409	0.3
124.03939	0.2
127.03910	0.1
128.06322	0.1
133.02837	0.4
134.03658	0.2
135.04448	0.5
136.04230	0.2
136.05212	2.5
136.07552	0.4
137.02330	0.3
137.05994	1.0
145.02841	0.3
145.04974	0.1
147.04405	0.2
149.02307	0.3
149.05977	0.3
150.03108	0.5
150.06763	0.7
151.03905	0.1
153.01836	3.1
161.02342	0.2
162.03116	0.4
163.03867	0.7
164.04584	0.3
164.07060	0.2
164.87419	0.1
173.06000	0.2
177.01826	0.3
177.05466	0.3
177.16463	0.1
179.03461	0.2
181.04973	0.3
187.78098	0.1
189.09015	0.2
197.05962	0.2
203.03403	3.0
213.05507	0.6
225.05579	0.2
229.04968	3.2
241.04933	1.2
242.05745	6.2
243.06001	0.1
253.04962	0.5
254.05768	0.1
256.07358	0.2
257.04468	45.4
258.05206	3.4
268.08398	0.2
269.04437	1.0
270.05240	2.9
271.06015	3.0
271.08768	0.2
283.06192	0.2
284.06717	0.2
285.03961	3.5
286.04736	10.2
287.02240	0.2
287.05518	11.3
297.03961	14.1
298.04471	0.2
301.06912	0.1
305.08020	0.3
308.06696	0.3
309.07465	0.2
310.04733	0.3
315.04987	0.4
323.05606	0.2
333.07663	0.3
334.08444	0.7
344.06860	0.3
345.07620	0.9
361.07037	1.2
362.08093	0.5
363.08502	0.2
372.06390	0.1
373.07095	3.2
374.07709	0.3
375.08716	0.9
377.06326	0.2
389.06561	2.9
390.07379	0.7
391.08115	2.1
392.08694	0.3
401.06577	0.6
402.07233	0.2
403.08093	0.8
405.09589	0.2
417.05994	0.5
418.06879	1.7
419.07669	1.1
420.08490	1.1
433.09351	0.6
435.10797	17.1
436.11182	0.3
446.06378	4.2
451.10352	0.4
461.08731	10.5
461.19183	0.3
462.09213	0.2
479.09769	100.0
480.03189	0.2
480.10071	2.1
641.14417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
58.56505	0.2
61.02919	0.2
68.99800	0.1
69.03437	0.7
69.71242	0.9
70.06592	0.2
72.43128	0.1
73.02886	0.2
81.03408	0.3
85.02910	1.2
89.03926	0.3
95.04929	0.1
97.02882	0.3
98.21534	0.2
104.71614	0.1
107.04971	0.2
109.02876	0.2
110.03643	0.1
117.03334	0.2
119.04930	0.2
121.02888	0.3
123.04439	0.4
124.03969	0.2
127.03870	0.4
133.02869	0.3
135.04413	0.4
136.05202	2.4
136.07542	0.2
137.02263	0.2
137.06013	1.0
145.02924	0.2
147.04387	0.3
149.05994	0.2
150.03098	0.3
150.06769	0.7
153.01848	3.0
161.02367	0.2
162.03107	0.4
163.03918	0.4
164.04712	0.2
164.07161	0.2
190.01147	0.2
203.03413	2.5
213.05490	0.4
215.07043	0.3
229.04948	3.3
241.05048	1.1
242.05763	6.4
253.04974	0.5
254.05721	0.2
255.06729	0.2
257.04483	42.6
258.05215	3.8
259.09528	0.2
269.04550	0.9
270.05246	2.8
271.06000	3.3
285.00818	0.2
285.03979	3.6
286.04752	9.1
287.05524	10.5
297.03989	12.1
298.04477	0.4
305.08325	0.3
308.06747	0.5
310.04752	0.4
311.05624	0.3
315.04837	0.2
319.06299	0.2
333.07751	0.3
334.08444	0.5
344.06766	0.3
345.07565	0.8
361.07144	1.3
362.07849	0.4
373.07117	3.1
374.07889	0.6
375.08636	0.7
377.06345	0.2
389.06519	2.9
390.07352	0.8
391.08154	1.5
392.08914	0.2
401.06540	0.4
402.07654	0.2
403.08102	0.6
417.06091	0.3
418.07007	2.0
419.07791	0.8
420.08362	1.0
433.09219	0.6
435.10822	15.6
436.10950	0.3
446.06363	4.5
451.10410	0.4
461.08734	10.1
462.08990	0.2
479.09793	100.0
480.10004	1.8
641.14905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84558	0.2
54.17389	0.2
55.01892	0.4
55.05571	0.3
56.96578	0.3
62.49213	0.3
67.01866	0.4
67.05511	0.4
68.89452	0.2
68.99841	0.4
69.03458	0.7
69.07072	0.3
69.40309	0.6
69.40710	2.3
70.06627	0.6
79.05531	0.4
81.03464	0.6
81.07083	0.4
83.07838	0.3
84.08171	0.3
85.02940	1.1
85.06572	0.5
86.09749	0.3
93.07106	0.3
95.08643	0.4
97.02938	0.6
100.51257	0.3
103.05479	0.3
105.07050	0.3
107.05036	0.3
110.03040	0.3
110.03709	0.8
111.04451	0.3
117.03433	0.3
121.02851	0.3
123.04480	0.9
127.03961	0.4
129.26884	0.3
131.04964	0.4
136.05208	0.4
136.07587	0.5
137.06036	1.2
145.02893	0.6
151.04001	1.4
153.01840	11.8
163.03926	0.8
165.07106	0.3
177.05533	0.3
181.05040	0.5
181.06519	0.4
191.08653	0.4
197.06024	0.4
199.62274	0.3
203.03470	1.3
209.06061	1.1
210.06812	0.4
213.05458	0.3
217.10269	0.4
220.08865	0.7
221.05945	1.4
221.44186	0.3
229.04982	2.0
235.11203	4.8
237.05470	10.5
238.06148	0.6
241.05161	0.4
242.05798	0.8
243.06438	0.3
249.05519	0.9
250.06245	0.4
251.07210	0.4
253.08745	0.7
254.05933	0.4
255.06564	0.5
256.07419	0.7
257.04477	21.5
258.05179	0.9
265.04980	22.0
266.05664	1.6
267.06595	0.4
268.07397	1.8
269.04633	0.6
271.06015	3.7
272.06848	0.5
281.04550	3.7
281.08151	7.9
282.05350	0.4
282.08780	0.3
283.06039	1.4
283.09171	0.3
285.04022	1.2
286.04666	1.9
287.05655	1.3
293.04471	7.3
297.04080	1.9
298.04715	3.3
299.05649	0.6
300.06265	1.5
301.07062	0.7
309.03909	0.6
309.07449	0.3
310.04782	0.5
311.05527	52.7
312.05896	0.6
331.36749	0.3
337.03491	3.0
345.07324	0.5
355.05716	0.7
361.07120	0.4
373.07108	1.1
375.08798	0.4
389.06363	0.4
390.07349	0.4
391.08289	0.5
400.05920	0.5
401.06512	2.0
402.07526	0.3
403.08041	0.9
417.05878	0.7
418.07083	1.4
419.07559	2.8
420.08417	1.0
433.09232	5.9
435.10825	11.4
449.12521	0.4
461.08084	1.0
461.12979	0.8
479.09619	100.0
480.09814	2.3
591.78851	0.4
597.15466	0.9
641.14661	1.8
641.23718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.4
55.01831	0.2
55.05469	0.5
55.51905	0.1
56.96548	0.2
57.03402	0.3
61.02920	0.7
65.03899	0.4
67.05502	1.7
69.03425	0.6
69.07023	0.4
71.04957	0.3
71.54913	0.2
73.02872	0.4
78.04656	0.5
79.05506	1.4
81.03422	1.8
81.07069	1.0
82.03687	0.2
83.04942	0.6
83.08569	0.4
85.02901	0.9
86.09657	0.4
91.03907	0.4
91.05483	3.4
93.06994	0.6
95.04924	0.5
95.08555	0.4
97.02838	0.6
97.06535	1.0
101.02359	0.3
105.07027	0.8
106.04166	0.3
107.04948	1.2
107.08534	0.4
109.02845	0.3
109.06501	0.2
109.10143	1.0
111.04416	0.2
111.08042	0.2
114.19695	0.1
115.05470	0.2
117.03339	0.3
119.04947	4.8
119.08517	0.6
121.06500	0.2
121.10111	0.3
123.04427	1.1
124.05188	0.5
125.05937	0.2
127.03838	0.4
129.06955	0.3
131.04883	0.1
131.08524	0.4
133.10121	0.4
134.03575	0.2
135.31674	0.1
137.05925	0.2
139.03871	0.2
145.02817	0.3
145.06349	0.1
147.04413	12.0
147.11681	0.2
148.04669	0.2
149.05911	0.1
149.09604	0.3
151.03841	0.3
152.04668	0.4
153.01834	2.3
153.06908	0.1
155.10507	0.2
157.10048	0.2
159.04388	0.2
163.03859	0.5
163.11156	0.2
165.06979	0.3
167.05655	0.3
167.07048	5.5
173.05861	0.2
173.11717	0.3
175.11168	0.3
177.05414	0.4
181.05093	0.3
183.07973	0.2
187.04021	0.3
193.06441	0.2
193.12190	0.6
194.12602	0.3
197.05942	0.3
201.05563	0.2
201.09102	0.2
211.07455	0.4
211.13254	0.5
212.13570	0.2
213.05424	0.1
215.03406	0.3
221.05957	0.7
225.05432	0.7
226.06189	0.2
229.14319	0.3
233.04370	1.0
237.05431	0.3
239.06859	0.6
243.08594	0.3
249.05531	0.3
250.06091	0.1
251.12840	0.2
253.05002	0.8
265.04858	0.2
267.06540	1.9
268.16418	0.2
277.05002	0.8
278.05756	0.2
279.06744	0.2
281.04538	1.1
283.06439	0.1
294.05170	0.8
295.02902	0.2
295.06055	3.2
297.03870	1.0
305.04437	0.4
306.05206	0.4
307.09741	0.2
309.03885	0.4
309.07346	0.2
310.04721	0.2
311.05511	5.0
312.09900	0.3
323.05502	100.0
324.05930	1.7
326.04230	0.2
335.05338	0.2
339.08829	0.3
349.06967	0.3
351.08466	0.2
353.10214	0.1
357.07281	0.2
363.08826	0.2
373.07159	0.2
374.07727	0.1
375.08813	0.2
379.11581	0.2
384.06375	0.2
385.06995	0.5
391.11557	0.3
401.06818	0.2
407.11084	1.0
413.06729	0.2
413.17798	1.1
430.19583	0.2
431.19989	0.2
435.14368	1.9
461.08679	0.2
461.15976	0.4
469.20459	1.0
477.06339	0.1
477.11823	5.0
479.17050	8.6
640.32898	0.2
641.31512	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	1.7
57.03439	7.5
57.36607	0.8
61.02924	1.4
65.03954	1.1
68.61366	0.8
68.99792	2.7
69.03431	3.8
69.74379	3.1
70.06564	1.1
73.02923	1.1
78.45362	0.8
79.05492	1.4
81.03427	5.1
85.02909	26.5
91.05480	1.5
93.03391	1.3
95.04970	5.3
97.02893	7.0
98.97575	1.1
103.03945	2.0
103.05457	1.3
105.03376	1.2
107.01324	1.3
107.04977	3.6
109.02241	0.9
109.02888	5.4
111.00805	1.8
111.04419	1.1
119.04956	1.7
121.02876	11.9
123.04440	5.6
125.02361	2.5
127.03908	2.0
131.04903	0.9
135.00723	1.2
135.04427	2.9
137.02345	1.4
139.03894	1.4
141.01880	1.7
141.46695	0.7
145.02864	1.1
145.06541	0.9
147.04445	3.1
148.05228	1.2
149.02354	3.7
149.05907	0.9
150.06725	1.4
151.03902	1.6
151.07561	2.2
153.01837	20.0
157.11337	0.8
158.12134	0.8
161.02264	1.0
161.05997	1.3
163.03922	9.1
163.07559	2.7
165.01848	40.9
165.05547	4.6
165.09126	3.7
167.03378	1.5
171.02870	2.6
173.02412	1.1
175.03896	2.0
177.01834	14.5
177.05499	2.2
179.03394	2.4
183.02899	12.3
187.03954	2.0
189.01814	4.9
191.03413	26.5
191.07037	19.7
193.01340	1.3
195.02902	100.0
196.03287	1.3
201.05504	1.1
203.03387	7.5
205.04959	3.9
207.02870	5.4
209.01099	0.7
209.04439	1.1
213.03909	1.8
215.03442	5.1
217.01401	1.7
217.05034	1.2
219.02907	56.1
231.02919	18.5
233.04419	4.7
237.03862	2.5
243.02853	7.2
245.04480	3.3
248.64565	0.9
249.03941	15.1
252.63901	0.8
257.04456	1.6
261.03952	21.5
263.98941	0.8
269.04214	0.9
273.03922	2.0
275.34573	0.8
279.05042	11.0
285.04022	2.1
291.05133	0.9
297.02853	1.5
297.06085	29.0
303.04953	1.4
315.07007	2.6
317.10217	6.3
321.06027	1.4
327.04980	3.2
329.10214	17.6
339.07086	2.9
341.10251	11.9
358.00333	0.8
359.11264	24.2
363.06952	2.2
383.11282	24.5
395.11288	7.5
405.07974	2.2
407.11005	2.6
413.12277	3.6
423.09277	1.8
425.12204	8.3
441.10284	1.9
443.13342	10.1
461.14441	11.3
473.14404	1.9
479.15488	10.7
491.13672	1.0
641.59686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.01878	1.0
55.05504	0.9
56.96571	0.8
57.03419	0.8
61.02914	0.5
67.01860	0.4
67.05515	3.2
69.03409	1.6
69.07072	3.1
71.05025	0.5
79.05499	4.8
81.03437	2.1
81.07058	1.9
85.02912	1.5
91.05485	2.5
93.07047	1.4
95.04971	1.3
95.08606	0.9
97.02885	1.2
97.06539	19.0
102.95330	0.4
105.07050	1.0
107.05012	0.5
109.06545	0.5
109.10155	0.8
117.03389	0.5
119.04942	1.6
119.08573	1.2
127.03928	0.7
127.93986	0.4
131.08575	0.6
133.10132	0.9
135.11720	0.5
137.06007	0.6
145.02885	1.3
145.10126	0.4
147.04424	4.3
149.01274	0.4
149.09665	0.6
153.01843	10.8
155.03450	0.5
163.03941	1.2
177.05493	1.9
201.09070	1.0
213.08926	0.5
215.34999	0.4
221.08072	0.8
229.00139	0.6
237.05507	0.4
239.02386	1.0
242.18849	0.5
253.04880	0.4
257.04245	0.6
266.05667	0.5
267.15997	0.6
268.03677	1.5
269.04443	1.2
279.06488	0.5
281.04523	3.8
281.08105	2.4
282.05243	1.1
283.05969	0.7
287.05334	0.6
293.08252	1.3
295.06018	3.6
297.04117	0.6
297.07339	0.7
297.14935	1.1
298.04904	0.8
299.05634	0.6
307.06137	0.5
309.04144	1.0
309.07608	4.2
309.14874	0.7
310.04767	5.7
310.08429	3.8
311.05585	8.1
311.09030	0.8
321.03918	1.3
321.07498	0.7
323.05637	2.8
323.08945	0.7
325.07138	1.3
325.14337	0.7
334.04669	0.5
335.05573	0.6
335.09296	1.0
337.07007	1.6
338.03745	0.8
338.07852	13.5
339.08643	6.1
347.05597	0.6
349.07098	6.8
349.10944	0.4
363.08533	0.7
391.11722	3.8
394.10193	0.7
407.11249	10.0
407.16437	0.6
422.13608	1.1
430.18991	0.6
435.14438	100.0
436.14670	1.8
461.16092	1.8
479.17047	33.6
480.17581	0.5
641.31134	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	641.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41203	0.8
55.01875	0.7
55.05502	2.1
57.01503	0.7
67.05501	3.3
69.07053	0.9
69.26073	4.5
69.26495	2.3
70.20210	0.7
71.08654	0.7
79.05481	2.4
81.03400	0.7
81.07055	3.0
83.08632	0.7
91.05474	3.0
93.07058	2.5
95.08612	1.8
105.07030	1.6
107.08615	2.3
109.10166	1.0
117.07002	1.1
119.08592	1.4
121.10202	1.1
126.81658	0.7
131.08591	1.7
133.10088	1.1
135.08061	1.0
135.11734	0.8
145.10039	1.0
147.11755	1.0
151.11171	1.0
190.82721	0.8
242.73259	0.8
275.19980	1.0
289.17975	0.9
381.13208	0.8
408.12262	1.7
409.12848	1.2
410.14853	1.3
414.14557	1.6
421.12851	4.5
422.13748	9.5
423.14569	4.3
424.15607	2.6
428.16318	1.7
434.13800	0.9
435.14621	5.9
436.15475	7.6
437.16318	11.2
438.17044	1.5
441.15903	1.1
449.16333	2.1
450.12064	1.0
450.17007	2.8
451.18707	6.3
452.18970	1.8
454.13553	1.1
455.17245	1.2
463.14389	1.8
464.15048	3.2
465.14737	5.4
466.16138	1.8
467.17181	2.5
469.15048	2.7
470.16281	0.8
478.16611	2.4
479.17542	4.6
480.18283	4.3
481.18887	0.8
482.15921	1.7
483.16583	1.0
484.18100	1.1
492.18063	1.6
493.19260	9.2
494.15369	1.1
494.19943	2.4
495.16464	5.2
496.17636	1.5
498.15311	3.0
506.15829	1.8
507.16937	3.1
508.17432	11.6
509.18506	7.4
510.15353	1.2
512.16913	8.7
521.18274	14.4
522.16003	4.2
522.18817	4.7
523.19501	0.8
524.16748	0.9
525.19330	1.2
526.14978	3.3
537.18201	0.9
539.19183	2.0
543.36652	0.8
549.18518	1.7
553.20758	3.8
581.20355	79.2
582.20306	3.8
599.21436	14.8
609.19434	1.6
615.60992	0.9
622.22992	6.3
623.42151	1.4
641.22443	100.0
641.44263	2.6
642.22662	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	641.2974
Annotation	Crooksiine
Peak:m/z	Relative Intensity
57.89424	0.2
60.28504	0.2
67.05525	0.6
70.37550	0.4
70.37903	0.8
72.25761	0.3
91.05511	0.3
93.07078	0.3
107.17639	0.3
125.02895	0.2
133.46446	0.2
159.04381	0.3
185.92467	0.3
193.15590	0.3
211.12338	0.3
328.14517	0.3
363.15952	0.4
377.17838	0.9
378.18610	0.5
379.19327	0.8
389.17383	0.3
390.18631	0.5
391.19803	1.4
392.15891	0.5
392.20331	0.6
393.16702	0.3
393.21066	2.2
404.20349	0.5
405.16571	2.2
405.21674	0.6
406.17358	1.4
407.18503	1.0
407.22861	4.7
408.23404	0.5
418.17499	0.5
419.18417	3.4
419.23700	0.4
420.19229	2.5
421.20203	4.8
422.21027	0.8
423.21942	1.1
433.20313	5.5
434.21344	4.2
435.22073	7.0
436.22623	1.1
447.22482	1.9
448.18250	0.5
448.23398	0.5
449.19553	8.0
450.20285	0.5
461.19318	0.4
461.24490	0.4
462.20575	0.6
463.21182	3.1
464.22021	2.0
465.19406	0.9
467.24435	0.9
475.21317	0.6
476.22562	0.4
477.23019	0.8
479.20142	1.3
480.21204	0.5
481.22348	2.3
489.22910	0.4
491.24979	0.4
493.22012	2.6
494.23108	3.1
495.23920	3.9
507.24139	1.7
508.24380	0.4
509.25623	0.6
520.25024	0.3
521.25824	10.7
522.25952	0.5
523.26721	0.8
526.25513	0.5
535.23718	0.8
539.23572	1.2
549.24829	0.9
550.26129	0.6
551.26605	0.3
553.25958	0.9
563.26740	0.7
567.26044	0.4
581.27765	19.7
582.27997	1.1
609.26874	0.5
613.30658	0.4
623.28345	0.4
641.29761	100.0
642.29980	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	641.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07248	0.7
52.80803	0.5
55.05510	1.1
56.89349	0.6
67.05506	2.7
67.51681	0.6
69.07059	0.9
71.08622	0.9
71.54927	0.6
71.55334	0.7
73.02943	0.7
79.05497	1.5
81.07066	2.7
85.02905	0.9
91.05494	1.5
93.07066	1.7
95.04957	0.8
95.08636	1.7
105.07049	1.1
107.08595	1.3
109.06553	0.7
113.06037	0.8
116.43486	0.7
117.06987	1.1
119.08604	0.9
123.08115	0.7
126.15821	0.6
133.10153	1.1
163.03894	0.6
177.35786	0.6
181.10092	0.9
230.30238	0.6
239.11797	0.9
251.11604	0.8
275.20053	1.2
299.25739	0.6
326.12994	0.7
377.17960	0.8
390.18723	0.9
391.19452	0.8
396.12543	0.9
405.17062	1.0
418.17941	1.4
419.18427	1.4
420.23560	0.8
430.21533	0.8
432.19452	1.0
433.20306	3.5
434.21133	2.2
435.21988	2.1
445.20587	0.6
447.17505	1.1
447.22614	1.1
449.23819	1.1
461.19547	9.6
462.20459	4.3
463.21075	1.0
465.19266	1.5
467.24512	2.7
475.21313	1.5
476.21982	2.4
477.23291	3.3
480.21533	1.1
489.23456	1.3
493.22012	1.4
494.22986	3.0
495.23871	1.4
507.24182	1.1
520.24457	0.7
539.24060	0.8
548.24139	3.2
549.25006	2.6
553.28455	1.9
563.26593	5.5
576.23901	0.7
581.27643	9.6
593.23511	1.1
608.26526	1.6
609.27673	1.0
623.28296	1.7
641.29834	100.0
642.30035	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	641.2972
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
51.69105	0.6
55.05513	1.9
57.03439	0.9
67.05504	4.1
69.07079	1.3
71.05008	1.2
79.05492	2.8
81.07048	3.2
83.05005	1.0
83.08636	0.7
91.05497	2.8
93.07046	4.2
95.04955	0.8
95.08621	2.5
98.20764	1.0
105.07060	2.5
107.04942	0.8
107.08613	1.7
109.06510	0.8
109.10159	0.8
109.44649	0.7
117.07026	1.1
119.08621	2.4
121.10162	1.0
123.08057	0.8
125.29176	0.6
129.07013	0.8
131.08621	1.6
133.10164	0.9
135.11682	0.8
143.08620	0.6
145.10152	0.9
155.08574	0.9
162.58133	0.7
166.10968	0.7
188.51979	0.7
221.10835	0.7
233.15276	1.2
237.13951	0.9
271.16946	0.8
272.20700	0.7
289.18054	2.8
373.20831	0.7
377.18176	0.8
389.17813	1.2
390.18524	0.8
392.20221	0.8
393.20865	1.1
401.18109	1.7
402.18579	1.3
403.19107	3.5
404.20148	1.8
405.20694	1.0
406.21683	1.7
407.22379	2.0
408.23032	0.8
415.19257	3.3
416.20279	3.0
417.21072	4.0
418.21890	3.1
419.22598	2.1
420.23343	1.0
421.24014	2.9
428.20328	1.0
429.21072	4.2
430.21606	2.7
431.22818	4.5
432.23639	1.5
433.24182	7.7
435.22000	1.5
443.22763	2.2
444.18430	0.9
444.23633	1.9
445.24051	4.5
446.25116	1.3
447.25424	2.3
448.19446	0.7
448.26678	0.8
449.23373	2.0
459.22006	3.8
460.22629	3.1
461.19028	3.0
462.20404	4.3
463.20993	4.6
472.22778	1.9
473.23495	5.7
474.24277	2.7
475.21494	5.2
476.22272	2.4
477.22900	18.7
485.23526	2.0
487.24966	6.6
489.22836	2.3
490.23471	1.3
491.24576	6.4
503.24524	1.0
504.25027	0.9
505.19421	0.8
505.26117	4.5
506.26886	3.4
515.24194	1.6
518.23438	1.3
519.27649	2.7
522.26355	1.0
523.27209	1.1
531.24146	1.1
532.24597	1.4
535.23596	3.0
545.25714	8.3
546.26227	1.5
547.19946	0.5
547.27063	20.8
549.25037	15.8
550.25806	19.8
563.26178	4.3
564.27448	3.6
577.28345	2.7
579.29669	9.0
591.26044	16.7
605.27679	22.3
606.28888	0.7
623.28711	100.0
624.29126	2.5
641.31274	1.4
641.44220	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	641.2972
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
50.12745	0.6
53.33221	0.6
55.05519	1.7
55.87472	0.6
57.03432	1.5
67.05502	3.8
69.03427	0.8
69.07073	1.9
69.39504	3.8
69.39917	1.6
79.05520	3.8
81.07073	3.9
91.05482	3.5
93.07074	4.6
95.04957	1.4
95.08630	1.9
97.10181	1.1
105.07049	1.9
107.08623	1.8
109.06506	1.2
109.10175	1.6
117.07069	1.3
119.08614	1.6
121.06522	0.8
121.10159	1.3
133.10172	1.5
135.08109	1.0
137.09621	0.8
143.08597	1.1
145.10121	1.6
154.20540	0.7
157.10257	0.7
162.37386	0.8
168.95561	0.7
173.09644	0.9
176.60326	0.7
185.10742	0.8
209.10748	1.1
210.11517	1.3
211.12384	0.7
224.13126	1.2
225.13965	1.1
227.11853	1.4
233.12827	0.6
233.15298	1.1
237.13976	1.0
238.14688	0.9
239.11774	1.1
239.15544	2.1
244.35545	0.8
275.20013	1.8
289.18158	2.3
290.16672	0.9
298.42578	0.7
298.51559	0.8
304.14426	0.9
304.97729	0.9
313.15704	1.1
316.14539	1.3
318.16055	1.0
319.16721	1.3
333.18198	0.9
344.18246	0.8
346.19449	1.2
356.17905	0.8
377.17578	1.2
384.17130	2.0
389.17838	1.2
392.19894	2.0
393.20648	1.1
403.19376	2.1
404.19992	1.8
405.20804	2.0
406.21497	3.2
407.22162	5.1
412.16650	1.7
415.19141	2.3
416.20142	1.4
417.20972	3.1
418.21472	2.3
419.22333	2.4
420.22891	2.3
421.23669	4.5
422.24481	6.1
427.19403	1.1
429.20944	2.1
430.22177	3.4
431.22906	4.4
433.24237	5.8
434.18848	0.7
434.24582	5.0
435.21759	1.9
443.22867	1.2
444.19302	3.6
445.19318	1.3
445.24332	2.7
447.25745	1.1
449.23276	0.8
458.20471	0.9
459.20862	3.7
460.22614	3.0
461.19504	1.7
462.20218	3.5
463.21277	4.2
472.22711	1.4
473.23547	3.8
474.24176	2.2
475.21219	5.0
476.22031	1.6
477.22842	14.3
487.25339	4.6
489.23050	1.3
490.23248	0.8
491.24710	3.5
501.36847	0.9
503.24078	0.9
505.26245	2.7
506.26913	2.4
515.24945	1.7
517.22156	0.9
518.23395	1.2
519.27533	2.9
521.21967	0.8
535.23676	2.7
543.37360	0.9
545.25635	7.8
546.26270	1.3
547.27148	14.4
549.25024	10.6
550.25793	15.9
563.26581	3.1
564.27209	2.9
565.28308	1.0
566.24609	1.1
577.27374	1.2
579.29822	8.2
591.26135	13.4
605.27716	17.6
609.27234	10.0
623.28687	100.0
624.28534	2.0
641.30328	6.1
641.43353	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01873	0.8
55.05529	1.9
56.96564	0.5
57.03451	2.0
61.02937	4.6
65.52003	0.4
67.05511	7.8
69.03438	3.3
69.07069	1.0
71.03321	0.9
71.05004	1.1
73.02921	2.7
79.05505	2.6
81.03427	6.7
81.07056	3.0
82.03770	0.8
83.04975	1.3
83.08624	1.7
85.02915	5.1
85.06526	0.5
91.03977	2.5
91.05482	3.8
93.07072	2.4
95.04966	2.2
95.08614	1.2
97.02919	4.2
97.06541	2.9
97.89821	0.4
98.57777	0.4
99.04459	0.6
101.02393	1.6
105.07045	1.9
107.04937	0.4
107.08603	0.6
109.02905	1.0
109.10166	6.4
111.08095	0.8
119.08608	1.8
127.03947	1.8
129.07048	0.7
131.08607	1.3
133.10176	0.6
137.09621	0.7
140.46852	0.5
147.04393	0.5
147.11655	0.9
149.09660	0.8
150.09900	0.4
153.01851	3.5
155.10689	1.0
157.10158	0.9
163.03973	0.6
167.07056	0.6
173.11780	1.8
175.11229	0.7
177.05498	0.6
181.12303	0.5
193.12260	1.9
195.09955	0.7
211.13347	1.5
212.13536	0.7
229.14430	1.0
243.08548	1.7
251.12622	1.0
267.16150	0.5
307.15201	0.6
311.05649	1.6
323.05542	2.2
339.08804	0.5
351.08902	0.5
363.08936	0.7
391.11972	0.7
407.11227	2.0
413.17883	9.2
435.14481	5.6
469.20474	6.0
479.17142	9.7
480.17874	0.4
623.31781	0.6
641.31519	100.0
642.31641	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	642.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.03952	2.5
55.01892	0.9
56.96578	0.8
57.03443	1.5
59.67501	0.7
69.03441	7.2
69.55032	0.6
70.06613	1.1
71.04993	1.0
71.39845	0.6
71.55940	1.3
72.70209	0.6
73.02927	0.7
73.74673	0.6
78.03461	16.1
79.05491	0.9
80.05025	3.1
81.03430	13.2
81.03909	0.7
81.07056	1.5
84.04501	0.7
85.02908	7.6
89.03919	0.7
91.05461	1.4
93.07074	0.7
94.04195	1.1
95.08617	0.8
96.04517	4.1
97.02912	4.9
97.06539	1.0
99.04434	3.2
103.05479	2.6
106.02926	54.2
107.08570	0.6
109.02892	10.7
115.05484	4.1
117.07056	3.5
122.03668	2.1
124.03967	100.0
127.03934	7.1
128.03862	0.6
128.06233	8.4
129.07019	37.8
131.04971	3.9
131.08554	3.9
133.10176	1.2
137.05989	23.2
143.04916	1.7
144.05708	2.0
145.02907	0.8
145.05304	0.9
145.06485	6.7
146.07286	1.8
147.04456	0.9
147.07990	0.8
151.07507	0.8
155.04939	4.2
155.06042	1.4
157.06506	29.0
158.07307	4.4
159.04427	2.1
160.05174	3.5
161.05997	2.1
161.09648	1.8
163.03929	2.7
163.07549	2.6
166.05046	2.0
172.05243	2.3
173.06001	2.7
174.06787	36.8
175.07567	14.3
177.05571	0.8
177.09172	3.2
183.04433	1.0
187.07568	15.2
188.08276	0.7
189.09123	86.5
194.79851	0.6
196.06004	0.9
201.05573	1.5
203.07065	2.2
205.05023	2.6
207.10193	25.8
215.07034	8.4
226.07158	2.1
230.82797	0.7
232.06125	2.2
233.08115	38.4
234.44241	0.7
241.08565	0.7
250.07143	21.4
250.09773	1.2
251.09064	2.1
254.60780	0.6
257.04428	1.2
258.04935	1.4
259.05579	0.8
259.09747	1.3
268.08191	64.2
269.08630	0.9
278.09369	0.9
282.11301	0.6
286.04755	1.1
286.09161	0.8
287.05411	2.1
288.05896	1.8
298.04153	0.9
313.14230	1.0
328.24307	0.7
339.11771	0.7
357.13382	0.9
436.11264	1.0
462.08972	0.8
479.09454	3.5
480.10184	12.2
598.22693	7.2
624.20959	4.3
642.21381	2.4
663.69525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84187	1.0
55.01888	1.4
55.05515	5.3
56.05038	2.5
57.03437	2.6
57.07080	38.1
59.05014	1.3
62.24468	1.0
65.03943	1.3
67.05508	14.0
68.05024	1.0
69.03435	33.3
69.07079	13.1
70.02954	2.1
70.06570	1.6
71.04991	3.4
71.08639	34.5
71.55994	1.6
72.04522	1.1
73.06561	8.9
79.05499	6.6
80.04996	1.3
81.03428	2.8
81.07066	8.4
82.06579	3.5
83.08625	9.8
84.04512	2.5
84.08147	15.9
85.10192	21.2
86.06065	3.7
87.04470	15.1
89.06040	100.0
91.05494	4.1
93.07053	3.6
94.06582	4.1
95.04988	2.6
95.08615	8.0
97.06587	1.3
97.10164	6.1
99.11738	2.0
102.05572	2.9
104.95451	0.9
105.07037	4.3
107.07083	2.1
107.08590	1.8
109.10155	6.4
111.08030	1.3
111.11741	4.0
112.07614	69.8
113.13315	1.0
117.07046	1.0
117.09148	7.1
119.08613	3.1
121.10139	1.7
124.07582	2.1
125.13309	1.6
129.06990	1.3
130.08670	2.6
131.06979	1.5
131.08571	1.8
133.08617	54.1
133.10188	2.6
140.07077	58.3
142.08716	1.8
145.10121	2.1
149.09601	1.2
158.08157	9.3
163.11154	1.7
164.07219	1.0
173.11850	1.1
177.11243	20.3
180.13826	2.4
182.11847	1.1
191.10645	1.1
191.94006	1.1
193.12314	1.4
208.13335	2.1
211.24202	1.9
221.13890	3.5
229.14450	1.5
255.26787	1.9
267.13452	1.6
267.15811	6.8
276.15851	1.3
285.21613	1.1
294.17099	2.0
299.29474	6.5
313.27332	7.8
337.27435	2.5
343.32108	2.9
358.45468	1.0
368.21021	1.7
371.22845	1.6
386.21851	2.0
415.25208	3.7
467.37219	2.7
505.38971	2.1
508.70386	1.2
541.80896	1.2
606.43402	1.6
624.44690	26.6
625.48932	5.0
642.44580	7.8
643.25000	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	642.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.05514	6.1
56.05040	2.6
57.03436	1.9
57.07080	37.6
67.05501	12.8
68.05038	1.6
69.03436	32.2
69.07080	14.2
69.07443	0.9
70.02948	1.4
70.06593	2.7
71.04996	3.8
71.08640	36.9
71.55506	1.5
71.55887	1.2
72.04546	1.2
73.06205	1.0
73.06567	7.7
79.05499	3.9
81.03422	3.2
81.07066	6.5
82.06578	3.0
83.08620	6.9
84.04507	2.9
84.08154	13.0
85.10186	22.1
86.06073	2.0
87.04476	15.1
89.06039	100.0
91.05485	3.1
93.07053	4.1
94.06537	2.2
95.04959	2.0
95.08611	7.1
97.10191	6.3
98.06063	1.7
99.11735	1.9
102.05546	3.4
105.07053	2.3
107.07071	2.1
107.08614	2.7
109.10139	5.2
110.06024	1.4
111.11726	3.0
112.07615	53.4
113.13299	2.2
117.07037	1.4
117.09145	6.0
121.10114	1.4
123.11732	1.3
124.07617	2.4
125.13241	1.3
127.14817	2.5
130.08650	2.9
131.07054	1.7
133.08614	49.7
135.11771	1.5
140.07072	46.3
141.16391	1.1
141.79768	1.1
147.08095	1.3
147.11725	1.8
149.09615	1.7
158.08139	6.2
161.11812	1.3
163.11165	1.7
173.11636	1.1
175.09645	1.6
177.11235	21.8
180.13852	3.0
191.10698	1.0
193.12299	1.5
208.13370	1.9
211.24275	2.2
215.45399	1.1
221.13863	4.5
227.12798	1.2
229.14398	2.2
255.26775	1.5
256.18619	1.0
265.16345	1.7
267.15884	5.6
276.15961	1.2
294.17065	1.8
299.29391	4.7
313.27362	7.4
337.27420	1.7
343.32153	3.0
386.21835	1.5
415.25558	3.2
467.37372	1.7
505.39355	1.8
529.38641	1.6
606.43469	1.8
624.44666	19.3
625.49500	5.1
642.44885	5.8
643.15601	1.9
643.25366	26.4
643.41919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89821	0.8
53.03941	1.8
55.01863	1.8
55.05268	1.1
55.05516	13.1
57.03447	5.1
57.07082	30.7
65.03928	2.2
67.05511	34.6
69.03429	0.9
69.07070	10.9
70.66570	2.7
71.04996	2.5
71.08640	21.8
79.05500	20.4
81.03410	1.4
81.07064	35.6
83.04991	6.0
83.08627	12.0
85.06536	1.9
85.10194	10.1
91.05492	15.4
93.07058	21.9
95.04998	4.7
95.08057	1.7
95.08621	24.3
97.06518	5.0
97.10160	5.7
99.08101	3.6
105.07025	7.1
107.08611	11.0
109.06547	2.4
109.10166	9.4
111.08089	2.3
115.83926	0.8
117.07034	4.7
119.08585	4.3
119.62517	0.9
121.06513	1.7
121.10184	5.3
123.08068	0.9
123.11704	3.9
125.20556	0.8
131.08571	7.0
133.10120	3.9
134.58434	0.9
135.08096	1.6
135.11664	3.5
137.13239	1.2
139.11302	1.1
143.08539	1.2
145.10120	1.0
147.11708	1.5
149.13264	7.6
151.11156	4.6
159.11687	2.7
161.13258	2.4
163.11188	1.4
166.20474	0.9
173.13307	0.9
177.12750	2.6
195.13858	4.3
239.23737	4.7
251.16476	1.8
259.20627	2.6
269.17535	9.4
277.21661	6.0
313.27386	26.0
351.25351	7.9
381.85852	0.9
391.77945	0.9
467.37372	4.5
507.40515	100.0
508.40851	2.0
522.26379	1.0
589.48267	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21744	0.3
69.75574	1.6
72.68034	0.3
79.24413	0.3
81.07005	0.4
136.82497	0.4
210.85687	0.3
218.95058	0.3
222.89932	0.3
228.24734	0.3
271.94727	0.4
277.21780	0.3
305.98203	0.4
312.06042	0.3
314.88095	0.3
327.27100	0.5
327.38083	0.3
396.12338	1.0
397.12964	1.9
398.13910	0.8
399.14526	0.4
409.13254	0.6
410.13702	2.8
411.14560	6.2
412.15414	3.9
413.16214	2.3
414.17368	0.4
423.10187	0.7
423.14771	1.5
424.10867	1.0
424.16287	2.4
425.16336	11.8
426.16940	9.0
427.17624	1.7
428.18573	1.1
437.11517	0.6
437.16611	1.0
438.12189	2.8
438.17993	0.9
439.13678	15.2
440.19040	5.1
441.19330	37.3
442.19531	1.8
450.12570	0.4
451.13464	0.9
452.14276	4.2
453.15356	17.1
454.16016	4.5
463.13986	0.9
465.15894	1.0
466.12173	0.6
467.17166	25.9
468.17935	12.9
469.18820	13.0
469.25183	0.8
470.15961	0.4
471.16653	0.7
479.17532	0.7
480.17902	0.8
481.14798	13.1
482.15250	2.7
485.18317	0.9
486.19034	0.4
493.14871	0.4
494.16882	0.6
495.15759	2.3
496.17270	11.4
497.18124	2.1
498.19226	0.5
499.19659	1.1
509.18176	2.8
512.20703	1.1
513.21594	0.6
514.22467	2.0
522.18323	0.6
523.19867	1.5
527.23346	3.1
540.20367	0.4
542.21796	0.5
555.22473	31.3
556.22571	2.0
583.21942	100.0
584.22119	6.2
587.24823	1.8
611.21619	2.0
614.23566	0.8
615.24561	11.8
616.24921	0.8
643.23969	56.9
644.23999	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	643.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.1
55.05470	3.5
57.03410	0.9
57.07033	1.6
64.04427	0.5
67.05511	6.4
69.03384	1.2
69.07026	2.0
69.41912	1.7
69.42332	2.5
70.06566	1.0
71.04999	13.3
71.08591	1.4
72.05277	1.4
79.05490	4.9
81.03369	0.7
81.07074	5.7
83.08581	1.2
84.08076	0.7
86.06004	0.6
88.03960	1.0
89.62824	0.6
91.05481	3.9
93.07054	4.9
95.04919	0.9
95.08613	4.0
96.08097	1.2
97.06495	1.0
97.10143	1.3
98.21456	1.2
99.08073	0.6
105.07081	3.4
107.04948	1.0
107.08614	2.9
109.06501	0.6
109.10085	1.8
111.08022	1.0
112.07567	0.7
117.07013	1.1
119.08534	2.3
121.10165	2.8
123.08040	0.8
123.11709	0.9
125.09625	0.9
129.06935	0.8
131.08498	1.5
133.10083	1.7
135.07971	1.6
135.08955	0.6
135.11632	0.8
137.09544	0.6
140.46321	0.6
143.08459	0.7
145.10063	1.3
147.08035	0.8
147.11714	0.6
158.08023	1.3
161.09641	0.6
172.03145	0.6
173.13280	0.6
189.11067	0.8
227.12810	1.1
244.75441	0.6
273.18469	2.1
277.21603	0.7
291.19443	1.9
310.03738	0.5
313.27554	1.1
335.25717	1.1
335.49249	0.6
397.12790	1.3
410.13605	2.0
411.14590	3.8
412.15399	2.4
413.15952	1.2
423.14746	0.9
424.10886	1.3
424.15869	1.4
425.16248	7.6
426.17004	5.1
427.17966	1.2
438.13104	2.1
438.18100	0.7
439.13467	6.3
440.18549	2.4
441.19296	23.4
442.19913	1.3
452.14478	4.1
453.15402	7.4
454.16290	2.4
463.13797	0.7
465.15277	0.7
466.12378	1.1
467.17264	18.9
468.17828	8.5
469.18823	10.2
470.12811	0.8
470.19254	1.0
471.16095	0.6
480.18124	0.7
481.14868	12.5
482.15707	3.1
495.16458	3.1
496.17218	14.3
497.17749	1.6
509.18561	1.6
527.22748	1.9
542.21759	1.1
555.22455	20.3
556.22717	1.0
568.19238	0.9
583.21942	100.0
584.22302	6.0
587.25177	1.8
615.24420	6.2
625.44446	2.1
642.45831	5.5
643.23859	20.6
643.46222	11.7
644.24548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21133	0.5
55.05511	2.9
57.03432	0.9
57.07072	2.4
67.05496	3.4
69.07070	3.5
69.25699	3.0
69.26118	2.2
71.08631	1.9
79.05507	2.9
81.07059	6.1
83.08612	2.4
91.05488	1.4
93.07039	3.4
95.04943	1.0
95.08610	3.8
97.10143	1.4
98.10497	0.6
105.07014	1.6
107.08615	2.9
109.10168	2.6
117.07034	0.5
119.08594	1.6
120.01327	0.6
121.10159	1.9
123.11722	0.9
131.08543	1.2
133.10155	1.1
135.11726	1.1
147.11708	1.0
149.13268	1.2
161.13293	0.7
173.13301	0.8
214.90742	0.6
311.25760	1.3
313.27283	0.7
331.18884	2.7
333.20346	7.6
387.21735	1.5
389.22964	4.3
508.42410	0.7
526.87366	0.6
531.40790	1.2
643.45435	100.0
644.45728	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	645.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02213	0.4
55.67958	0.4
69.88245	2.2
74.09734	1.1
81.07058	0.7
88.54370	0.4
89.06021	1.0
403.20374	1.0
483.18036	0.5
499.21304	1.9
508.19183	0.7
517.22693	0.5
521.19617	1.7
522.20227	0.5
526.19934	0.9
537.22577	2.2
538.23022	0.6
539.20422	0.7
569.25592	0.7
571.23651	0.5
573.25433	0.7
585.24744	7.5
586.25433	1.5
595.22986	0.8
601.27252	0.8
613.24371	4.7
627.25769	1.4
645.26862	100.0
646.27118	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	645.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
57.03434	1.3
57.07078	3.2
67.05498	2.7
69.07059	0.9
69.28184	5.6
71.08636	2.3
79.05488	1.2
81.07050	3.2
83.08634	0.7
85.10189	1.7
89.06030	0.7
91.05478	0.9
93.07028	1.1
95.08606	2.8
97.10176	1.2
105.07066	0.7
109.10172	1.5
121.10145	1.1
149.13380	0.7
167.18950	0.6
180.08517	0.6
223.23447	0.6
313.27335	1.0
333.20383	8.7
389.22961	6.2
389.60248	0.6
395.01678	0.6
463.59784	0.6
498.19037	0.8
519.37018	0.8
547.39545	0.7
645.46997	100.0
646.47333	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	646.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
85.26532	0.5
152.87581	0.5
195.67450	0.5
389.17908	0.6
401.17664	1.8
402.18414	1.0
403.19357	2.2
415.19324	1.5
416.20151	1.6
417.21045	2.9
418.21487	1.3
419.22412	0.5
429.16733	2.6
430.17200	0.7
430.22147	1.0
431.17853	4.6
432.23331	1.2
433.24020	7.7
443.18613	0.9
444.19107	5.5
445.19876	7.0
446.21112	1.7
458.20844	0.8
459.21750	44.5
460.22498	10.7
461.23398	6.9
470.19839	1.5
472.22495	0.5
473.23657	2.6
476.22122	1.1
487.20865	1.3
487.25735	0.8
503.24789	0.6
505.25894	1.6
517.22766	0.7
519.23346	6.9
531.23950	3.3
532.24506	0.8
546.26398	1.3
547.27075	25.5
548.26910	0.8
563.26471	1.1
574.25769	3.5
591.26007	3.3
606.28394	100.0
607.29187	3.1
617.26868	1.0
618.27173	0.6
646.30780	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	647.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24544	0.5
57.03431	0.7
57.07079	2.4
67.05511	1.5
69.07064	1.3
71.08628	2.1
71.53925	0.7
72.75703	0.5
79.05496	0.7
81.07057	2.1
83.08620	0.7
85.10181	1.3
86.46574	0.5
93.07069	0.7
95.08625	1.8
95.15337	0.4
97.10178	0.7
98.00577	0.5
109.10179	0.5
135.11731	0.5
313.27271	0.9
335.21942	6.8
335.25436	0.8
391.24475	5.2
418.40567	0.5
445.64362	0.5
620.67688	0.6
647.48584	100.0
648.48779	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	649.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47396	0.4
57.07071	0.6
60.85042	0.4
67.05529	0.8
69.07072	0.5
69.24412	3.6
79.05530	0.8
81.07063	0.9
83.08648	0.4
84.08977	0.4
91.05495	0.5
91.08263	0.4
93.07027	0.7
98.21510	0.8
109.10148	0.4
117.38434	0.4
117.59289	0.4
119.08617	0.6
129.16455	0.4
131.08525	0.6
152.26981	0.4
156.38567	0.4
164.78975	0.5
183.09454	0.4
238.88045	0.4
251.43251	0.4
263.67743	0.4
389.17694	0.8
401.17743	0.9
402.18613	0.9
403.19113	1.6
404.20032	1.0
405.21036	1.0
415.19495	1.0
416.20197	1.2
417.21109	3.2
418.21640	1.5
419.22455	1.8
429.16656	0.8
430.17889	1.8
431.17865	4.6
432.19547	1.3
433.24466	2.4
434.25128	0.5
443.18848	0.9
444.19064	2.4
445.20071	7.3
446.20786	2.4
447.21448	2.0
457.20691	0.5
458.16974	0.6
459.22269	6.3
460.22662	4.8
461.23541	3.8
461.72025	0.4
473.19348	7.4
474.20261	0.9
475.25104	1.6
487.20538	3.4
489.22714	1.3
501.23306	1.2
502.23700	3.6
503.24606	5.3
505.22812	0.5
515.24316	0.9
517.22235	0.7
519.24481	1.3
531.23596	1.0
532.24420	1.0
533.22205	0.7
546.26282	1.1
547.27185	11.9
559.23633	0.7
561.24670	3.8
575.27155	0.6
577.24640	1.0
589.28131	21.4
590.28546	1.0
591.26001	0.8
605.24237	0.6
606.28784	0.5
607.29181	1.6
620.26184	0.7
649.30231	100.0
650.30743	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	649.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02716	1.1
63.29755	1.0
67.05499	1.9
71.55209	2.0
81.07041	1.4
81.26118	1.0
83.08653	1.4
93.07032	1.4
95.08591	1.4
96.68391	1.0
107.08523	1.8
119.08540	1.7
133.10112	1.5
368.61346	1.4
401.17731	2.7
403.19382	4.1
415.15289	2.3
416.15912	1.8
416.20761	2.2
417.20947	5.4
418.21875	3.4
419.22336	4.3
429.17081	3.7
430.17856	7.8
431.18488	4.4
431.23267	2.3
432.23193	3.8
433.24368	2.3
443.18768	3.4
444.19296	7.1
445.20117	12.6
457.19928	1.5
458.21045	3.3
459.21951	17.8
460.22552	12.7
461.23581	2.9
491.24792	1.7
517.22394	3.6
519.23639	1.7
531.23956	7.2
546.26215	7.2
547.26971	9.8
563.26501	2.6
577.24512	5.3
591.26038	10.2
606.28448	48.8
606.38391	2.4
607.28949	3.7
649.30225	100.0
650.30664	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	650.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.4
55.05516	17.3
56.05023	3.6
56.96561	3.2
57.07068	6.2
61.02959	2.5
61.79816	2.4
66.55400	2.7
67.05240	2.5
67.05521	25.5
69.03437	4.2
69.07079	31.4
69.16078	2.7
70.06592	4.2
71.05001	3.7
71.08632	3.4
71.55445	3.2
79.05501	26.1
81.03444	4.5
81.07062	62.2
83.04957	2.9
83.08602	7.1
84.04511	86.0
85.02896	8.2
91.05489	13.9
93.07056	47.0
95.04962	3.6
95.08615	56.2
97.02858	3.6
97.06546	15.3
97.10172	13.5
98.97591	4.2
102.05553	43.1
105.07042	33.2
107.08599	43.1
109.02902	3.7
109.06483	4.9
109.10168	30.5
111.08093	5.8
111.11704	3.1
117.07034	3.9
119.08599	46.7
121.10160	29.8
123.11742	16.0
125.09685	4.1
130.05020	65.2
131.08549	4.9
133.10136	39.0
135.11694	14.4
137.13318	5.2
145.10143	3.3
147.11693	16.9
148.06065	100.0
149.13266	40.2
151.11188	3.5
151.14769	3.0
157.10168	3.1
159.11697	10.3
161.13246	12.7
163.03891	13.5
163.14812	9.3
165.12685	4.3
173.13271	3.7
175.14836	4.4
177.16376	4.7
189.16328	7.7
195.17418	2.9
205.15880	2.6
215.07031	2.9
233.22647	2.5
259.09659	9.0
259.24265	7.8
269.22604	5.3
274.08487	2.3
275.23834	5.4
277.25168	8.7
279.16025	3.0
283.15027	2.4
287.23828	15.0
293.24731	7.3
305.24869	24.3
323.25864	3.6
342.22961	2.8
351.43082	3.0
406.29404	5.7
408.27374	3.8
422.29068	28.2
434.29071	25.3
440.30014	19.3
452.30142	28.3
470.31082	5.4
608.28784	2.6
632.26770	3.8
650.28693	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	650.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68015	0.2
56.05025	0.6
57.07066	0.3
58.06358	0.3
58.06635	0.6
59.07397	0.2
60.08168	5.6
67.05486	0.6
69.62994	0.7
69.63399	0.3
70.06590	0.2
71.07381	3.3
71.22160	0.1
79.05517	0.2
81.07059	0.4
86.09711	27.9
98.21568	0.3
98.98477	2.9
104.10749	2.3
109.10168	0.4
109.85056	0.2
124.86769	0.2
125.00014	21.3
166.02631	0.2
184.07352	100.0
185.07690	0.3
190.87602	0.2
288.92447	0.2
349.67899	0.2
362.10117	0.2
496.34546	0.2
608.39960	0.2
650.43939	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	651.2812
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.76212	0.5
50.90915	0.6
67.05489	0.9
79.05447	0.8
81.07034	1.0
90.34604	0.5
93.07013	0.7
95.08551	1.6
98.21522	1.2
109.10085	0.5
130.47156	0.6
215.12746	0.9
252.53658	0.6
281.79562	0.6
294.74380	0.6
374.16068	0.7
386.15533	0.8
387.16068	1.1
388.17416	0.9
389.18134	0.7
390.18887	0.8
391.19183	1.4
392.20013	0.8
397.14609	0.7
398.16321	0.6
399.16321	2.9
400.16962	3.1
401.17731	4.3
402.18491	1.1
403.19504	0.8
405.20691	1.7
406.21381	1.1
407.22336	2.6
412.17422	0.6
413.17944	3.2
414.18405	3.9
415.19409	8.1
416.19977	1.2
417.20911	1.1
419.18286	1.0
425.17676	0.7
427.14725	0.8
427.19577	1.2
428.20419	4.2
429.21249	8.6
430.22183	2.7
431.18280	1.0
433.20334	1.1
435.21884	2.5
441.17102	2.4
442.17368	1.1
443.18112	3.0
443.22427	5.2
444.18579	4.0
445.20450	2.6
446.21362	0.7
455.18652	1.0
456.19366	2.0
457.20374	6.0
458.21246	4.6
459.18109	2.2
461.19998	1.0
462.20285	0.7
471.22238	8.1
472.23138	5.1
473.19809	5.0
474.20639	2.7
475.17145	0.9
485.19574	2.2
486.20584	7.1
487.21771	2.6
488.21835	2.0
489.22430	2.2
490.20084	3.4
499.21432	10.5
500.22940	3.5
501.18753	0.6
501.22931	0.6
502.19754	1.1
503.24539	4.8
505.22327	0.8
514.19873	0.9
516.21851	1.2
517.22308	9.2
521.25690	1.6
527.20837	3.0
528.21515	1.1
530.22473	0.7
531.23920	13.6
543.23877	1.3
544.21265	1.0
549.24945	6.3
559.23438	97.3
560.23322	4.0
587.22894	17.8
591.26294	1.6
619.25513	100.0
620.25775	3.2
651.28149	22.3
652.28497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.8
55.01872	5.0
55.05265	2.0
55.05519	30.7
57.03446	12.5
57.07091	3.0
59.05002	2.8
62.94801	1.3
65.03939	4.7
67.05513	100.0
69.03442	22.6
69.07075	16.3
71.01362	1.7
71.05004	6.9
71.55439	2.2
73.02937	1.8
79.05504	33.5
81.03429	56.9
81.06581	3.2
81.07067	64.4
83.04986	26.2
83.08625	14.6
85.02916	5.9
85.06544	4.8
87.04504	1.5
91.05489	32.0
92.05791	1.7
93.07059	34.4
95.04959	8.9
95.08620	40.1
96.08149	1.8
97.02906	18.0
97.06541	4.8
97.10174	18.1
99.04480	6.7
99.08099	3.3
103.05466	1.6
105.07049	22.1
107.04957	3.2
107.08618	22.3
109.02905	8.8
109.06528	3.2
109.10172	64.7
111.04465	9.7
111.08102	3.9
115.05484	2.0
117.07044	12.9
119.08601	23.4
121.06548	4.1
121.10159	15.2
123.08055	3.4
123.11687	7.7
125.09647	14.4
127.03956	9.0
128.06230	2.8
129.05484	11.6
129.07031	8.0
131.08582	13.7
131.30891	1.5
133.06520	3.3
133.10149	11.5
135.08073	5.3
135.11716	9.3
137.05975	1.9
137.09654	4.5
139.11206	2.4
141.07001	2.9
143.08574	7.2
145.06482	3.3
145.10123	12.7
147.08038	3.2
147.11723	8.9
149.09579	3.4
149.13281	4.8
153.09106	1.9
155.08522	3.9
155.10687	3.8
157.06502	2.9
157.10162	5.3
159.08112	3.3
159.11700	9.1
161.13287	4.4
163.11212	4.5
163.14772	2.8
169.10132	4.2
171.08049	1.6
171.11742	4.3
173.09622	2.3
173.10329	1.9
173.11754	18.8
173.13283	7.8
175.11159	2.8
177.12781	1.8
181.10126	1.6
183.11697	4.8
185.09692	1.5
185.13240	3.4
187.11227	2.9
187.14783	3.3
189.11276	12.3
189.12781	2.3
191.10736	1.9
197.13206	2.9
199.14745	2.8
209.13303	2.0
211.11293	1.6
215.14380	1.7
223.14845	1.5
227.12755	20.8
227.14545	2.1
229.14386	35.2
245.13824	5.0
259.20499	2.5
260.28870	1.7
261.22247	6.3
263.23810	2.1
273.14899	2.0
275.19907	1.9
277.21738	3.4
289.21695	2.5
291.23151	2.1
297.22012	1.6
299.14923	3.6
301.21658	4.5
303.23520	1.9
315.23233	3.5
319.22644	3.2
331.16702	1.9
333.24509	1.7
335.25732	5.3
337.27380	10.2
341.24942	2.4
345.24368	3.0
349.01715	1.6
351.23172	6.2
353.24536	1.8
369.24167	9.5
371.16907	7.7
373.18719	4.9
375.25320	2.1
387.25452	7.0
393.26569	1.7
405.26279	3.0
425.27094	1.6
443.28021	5.3
461.28818	3.3
479.30283	2.4
489.35675	5.1
507.36835	4.3
529.36859	1.6
559.36383	2.2
597.37689	4.8
615.39105	7.2
633.39771	18.4
651.40942	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	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38591	1.6
53.03939	5.7
55.01866	5.9
55.05264	2.3
55.05517	35.8
57.03442	12.2
57.07085	3.4
59.04992	3.1
60.41582	1.6
65.03939	5.5
67.05508	100.0
69.03436	27.9
69.07073	16.8
71.04982	8.0
73.02918	2.8
77.03929	2.0
79.05061	2.5
79.05499	34.0
81.03422	67.4
81.07063	67.1
83.04984	32.0
83.08630	17.6
85.02910	6.0
85.06555	3.9
87.04507	2.3
91.05489	28.5
93.07048	37.5
95.04963	5.9
95.08607	43.4
97.02892	19.1
97.06540	3.1
97.10178	17.1
99.04461	5.2
103.05487	1.6
105.07031	26.6
107.04957	2.9
107.08600	24.7
108.15728	1.4
109.02871	11.7
109.06522	5.6
109.10162	58.3
111.04452	11.9
111.08090	3.9
117.07015	12.5
119.08598	17.1
121.06470	1.9
121.10151	17.1
123.04426	2.0
123.08036	3.4
123.11717	7.5
125.09641	16.7
127.03896	10.5
128.06207	2.9
129.05493	15.9
129.07021	8.0
131.08574	15.6
133.06519	2.3
133.10133	12.5
135.08081	5.2
135.11711	9.5
137.09624	4.3
137.13280	3.4
139.11111	2.4
141.06981	2.6
143.08597	7.9
145.06480	2.7
145.10121	13.3
147.08025	2.9
147.11697	8.8
149.09624	3.1
149.13240	7.4
153.07083	1.8
153.09157	3.3
155.08562	4.1
155.10692	3.1
157.06549	1.8
157.10147	6.4
159.08083	3.7
159.11685	7.9
161.13284	5.1
163.14806	2.9
165.12729	1.7
167.08569	1.8
169.10193	4.9
171.08078	1.7
171.11690	5.1
171.75058	1.7
173.11746	14.7
173.13274	5.4
175.11264	1.5
181.10202	2.3
183.11691	3.7
185.09732	2.4
185.13255	4.0
187.14816	4.7
189.11203	15.3
189.12691	2.2
197.13237	4.2
199.11220	2.3
205.12276	1.5
211.14906	2.4
216.62880	1.5
227.12787	20.6
229.12152	2.0
229.14351	25.1
229.27623	2.6
243.21053	2.4
245.13831	5.2
255.20912	1.6
259.20642	2.0
261.22159	12.5
263.23715	4.2
275.20245	1.9
277.21530	2.5
287.19962	1.8
289.21616	2.7
299.14948	3.9
301.21503	4.7
303.23322	2.1
315.23285	2.1
319.22931	2.2
327.22894	1.6
335.25897	13.6
337.27429	17.1
341.25101	2.4
345.24274	2.6
351.23184	3.8
355.17441	1.7
369.24307	9.9
371.17188	8.7
371.25626	2.1
373.18506	5.7
375.25235	1.8
387.25308	6.8
405.26291	3.8
443.27960	3.4
461.28922	2.1
467.64743	1.6
479.30719	2.5
489.35605	2.3
505.34979	2.5
507.36557	6.9
531.62927	1.7
552.59821	1.9
553.35168	1.9
559.23004	3.7
559.36017	2.1
597.37531	4.8
615.39008	5.3
619.25372	3.1
633.39850	17.2
651.29614	2.2
651.40887	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.7
55.01873	4.6
55.05518	29.8
57.03449	13.8
57.07067	4.5
59.05002	2.6
61.58170	1.5
65.03941	6.7
67.05514	100.0
69.03441	32.4
69.07075	18.9
71.01349	1.9
71.05005	8.3
71.55880	2.7
73.02930	2.4
73.06572	2.7
73.43736	1.6
77.03906	1.7
79.05502	37.1
81.03432	50.3
81.07069	64.2
83.04988	25.2
83.08635	14.5
85.02912	4.9
85.06552	4.2
91.05488	32.5
91.06007	2.6
93.07060	39.1
95.04975	9.9
95.08620	44.1
97.02911	14.9
97.06549	5.2
97.10181	17.5
99.04482	4.5
103.03948	1.8
105.07040	28.0
107.04971	4.7
107.08605	26.3
109.02852	9.3
109.06539	5.7
109.10168	60.9
111.04423	10.1
111.08089	5.3
115.03949	1.6
117.07032	13.0
119.08595	23.8
121.06531	4.4
121.10161	19.4
123.08073	2.5
123.11735	7.9
125.09637	13.8
127.03905	9.4
128.06252	3.3
129.05519	10.9
129.07016	6.9
131.08583	17.2
133.06534	4.5
133.10114	12.4
135.08083	4.1
135.11688	11.0
136.86588	1.6
137.09650	4.5
139.11203	2.0
141.07002	2.6
142.07845	2.3
143.08638	9.5
145.06563	2.1
145.10120	14.9
147.08064	4.3
147.11687	10.8
149.09653	3.7
149.13319	5.7
151.11293	1.8
153.07034	2.0
153.09103	2.0
155.08556	3.7
155.10698	2.7
157.10161	6.2
159.08121	3.5
159.11665	10.1
161.09698	2.3
161.13301	5.7
163.11171	3.3
167.08623	1.9
168.61958	1.8
169.10178	4.3
171.08078	2.5
171.10201	1.8
171.11717	6.3
172.78000	1.5
173.09612	3.5
173.11746	21.2
173.13283	6.6
175.11224	3.7
175.14891	2.7
181.10287	2.4
183.11716	2.9
185.09677	1.7
185.13336	4.7
187.11244	2.6
187.14861	5.0
189.11256	14.4
189.12753	3.3
189.16409	2.2
193.12387	1.4
197.13364	3.8
199.11159	2.1
199.14935	4.5
203.14371	1.8
209.13455	1.9
213.12868	2.5
227.12782	17.1
229.14374	30.7
245.13699	3.9
259.20728	2.5
261.22168	7.6
263.23758	4.0
271.20703	1.8
277.21548	3.3
283.20383	1.7
285.22067	1.6
289.21582	2.8
297.13315	1.6
299.14865	3.2
301.21637	4.7
303.23294	3.6
304.28082	1.8
313.21881	2.3
317.24823	1.8
319.22910	3.2
327.23517	2.8
335.25916	10.6
337.27411	11.9
341.24966	2.4
345.24426	2.8
351.23145	5.4
369.24365	10.2
371.16968	4.8
373.18582	5.2
375.25403	3.3
387.25430	7.8
405.26569	3.5
416.70959	1.7
443.27869	3.3
461.29062	6.2
479.30014	4.9
489.35638	4.9
505.34457	2.0
507.36929	5.8
597.37750	4.5
615.39032	7.3
633.40051	23.8
651.30060	1.6
651.40521	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.0
55.01878	3.0
55.05516	27.2
57.03446	11.9
57.07073	4.2
59.04999	4.0
65.03937	6.7
67.05510	100.0
69.03440	26.7
69.07072	17.1
69.26989	12.4
69.27397	3.6
70.78995	1.5
71.05001	7.9
74.00333	1.7
79.05499	33.9
81.03426	40.5
81.07064	54.9
83.04984	18.4
83.08614	15.0
85.02917	6.8
85.06566	3.0
86.66879	2.0
91.05492	26.2
93.07053	31.6
95.04970	8.6
95.08610	36.8
97.02895	13.6
97.06562	3.7
97.10177	11.4
99.04470	2.4
101.61070	1.6
105.07034	20.4
107.04957	3.6
107.08595	23.5
109.02872	6.9
109.06536	4.1
109.10165	55.1
111.04457	9.1
111.08077	2.9
111.11771	1.6
115.05436	1.9
117.07024	9.9
119.08583	21.0
121.06522	4.7
121.10140	13.9
123.04429	1.6
123.08087	3.5
123.11723	7.8
125.09606	9.4
127.03918	8.2
128.06259	2.9
129.05486	6.9
129.07021	7.9
131.08574	17.6
133.06473	2.5
133.10135	15.1
135.08086	5.0
135.11688	11.2
137.09612	5.0
138.73743	1.8
142.07838	1.7
143.08563	7.6
145.06401	3.1
145.10136	14.7
147.08014	3.0
147.10611	1.8
147.11693	9.3
149.09651	4.9
149.13260	5.7
153.09120	1.8
155.08551	3.8
155.10684	5.1
157.06516	1.7
157.10139	5.1
159.08069	2.8
159.11703	8.6
161.09645	3.5
161.13300	5.0
163.11240	2.4
163.14786	2.2
167.08623	2.1
169.08824	2.0
169.10181	6.4
171.10321	2.2
171.11728	5.9
173.11766	20.2
173.13307	8.0
175.11165	2.3
179.10707	1.9
179.16168	1.9
181.10120	2.5
182.39442	1.5
183.11679	4.7
185.13287	4.4
187.14842	3.8
189.11211	7.0
189.12723	2.4
195.11629	1.9
195.40442	1.8
197.13298	2.0
199.14894	2.4
201.12799	2.2
201.16457	2.5
211.14838	2.0
227.12738	11.4
229.14363	37.6
245.13860	2.7
259.20706	2.3
261.22174	4.1
263.23761	2.4
267.21246	2.3
273.22333	2.7
277.21606	3.4
299.14990	3.4
301.21649	4.2
313.22006	1.9
319.22955	2.6
327.23367	2.4
335.25949	8.7
337.27466	6.6
341.24850	3.7
351.23099	4.7
369.24265	11.6
371.17056	4.1
371.26010	2.2
373.18503	3.6
375.25131	2.7
387.25378	6.2
398.30240	2.1
405.26276	5.5
461.28873	5.1
479.30020	5.9
489.35480	5.8
505.35428	1.9
573.37500	2.4
578.96411	1.8
597.38574	4.4
615.38788	4.6
633.40106	19.2
651.40479	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71967	2.8
59.06122	9.7
69.07047	2.7
73.86951	2.8
79.05480	5.2
95.08669	3.0
97.10184	3.2
98.59531	3.4
99.77292	3.2
103.51290	3.4
122.47559	3.0
125.21082	3.4
191.43526	3.2
194.63358	3.2
197.10757	4.3
204.06522	4.3
207.09265	2.8
211.08736	5.4
221.10875	3.2
224.09335	3.9
225.10228	5.8
225.13721	4.7
236.09555	3.1
237.10242	4.9
239.08200	6.2
239.11723	5.7
249.10573	3.0
250.10979	3.3
253.09859	4.1
265.09573	5.2
267.11240	30.1
271.70474	3.4
281.12872	9.8
299.10278	3.9
301.13354	3.1
337.11935	3.9
342.92206	3.2
363.31717	3.1
379.44397	2.9
385.13861	9.8
386.14923	4.5
398.95621	3.3
405.57547	3.2
417.21060	4.8
419.22546	5.7
430.17752	4.0
431.18634	6.4
445.20453	6.7
447.22308	4.6
473.19730	17.5
474.20435	6.9
475.21304	6.0
533.21832	7.6
561.25061	37.9
575.22601	5.6
588.23145	5.1
588.55475	3.4
593.24286	5.3
603.22241	6.0
620.26398	100.0
621.25854	15.0
625.25873	6.9
635.25043	15.8
653.26215	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2609
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
67.05505	7.5
69.03442	2.7
69.07085	3.7
79.05482	5.3
81.07057	6.7
86.09706	2.6
91.05416	2.7
93.07069	2.9
95.08627	3.8
97.10237	2.9
109.10160	4.8
136.17194	2.7
157.10216	2.7
184.07428	3.4
377.17465	5.7
378.18445	5.6
390.18311	5.0
391.19223	10.7
392.19821	5.2
393.20718	5.9
405.20749	7.8
406.21793	2.9
407.22501	13.3
419.18329	3.6
433.20239	4.0
435.21927	19.2
445.19992	5.0
451.21329	6.5
465.19244	11.5
466.20255	5.4
474.20013	3.2
479.20587	23.2
489.23190	5.9
501.18976	6.9
502.19965	3.6
505.18564	5.1
515.21051	8.0
516.21106	3.3
517.22607	31.5
521.25317	7.2
537.24841	3.6
549.25018	42.2
551.22772	10.7
565.24243	10.0
566.25354	24.0
575.23090	15.4
593.23785	20.8
594.24615	3.5
607.25641	6.6
609.26947	11.7
625.26312	4.4
635.25085	100.0
653.26025	78.8
654.26447	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	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55242	1.1
57.42058	1.1
61.86823	1.1
67.05504	1.5
67.34818	1.4
69.10416	1.0
70.74956	3.2
91.48215	1.2
115.08797	1.4
225.13867	2.5
237.14049	1.5
259.48447	1.2
297.12497	1.2
312.15042	1.9
403.19366	1.6
437.23438	3.2
457.20114	3.1
463.20990	1.8
473.19183	1.7
474.20569	2.6
475.21289	2.6
476.22400	1.9
477.22778	2.3
485.19946	1.6
487.21173	3.5
489.23422	2.0
491.20349	7.1
500.21521	2.4
501.19241	4.9
501.23566	3.7
503.20566	2.4
515.20825	1.8
517.22479	3.0
518.22980	1.4
519.24219	8.0
523.27081	1.5
528.21228	2.2
529.22546	3.8
532.24634	2.3
533.24274	1.5
540.31134	1.4
544.24774	3.2
551.26849	8.2
560.24426	7.1
561.25165	1.8
566.29065	3.6
575.26715	10.4
588.23859	4.0
593.26935	2.1
594.28265	1.9
603.26031	6.1
621.27368	3.3
635.28668	72.4
636.29028	2.7
638.26740	2.1
653.29755	100.0
654.30164	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	653.2974
Annotation	Haplophytine
Peak:m/z	Relative Intensity
66.45744	0.4
69.23351	0.5
69.79575	1.1
69.79965	1.0
71.75336	0.5
78.96115	0.4
87.34234	0.5
98.21496	0.6
111.29787	0.5
117.71435	0.5
128.44461	0.5
159.96642	0.5
176.77197	0.5
195.09119	0.6
207.09067	0.6
208.09996	0.6
209.10747	0.7
221.10641	0.7
222.11496	0.5
225.13870	0.7
249.13811	0.6
283.14365	0.6
295.14246	0.9
296.12106	0.5
311.13870	0.7
313.15997	0.8
328.17819	0.5
340.17908	0.7
340.36008	0.6
365.97995	0.6
371.16089	0.7
375.16101	1.4
376.17654	0.7
384.17249	0.7
386.18637	0.7
388.17404	1.5
389.17471	2.4
390.18585	2.4
391.19153	2.2
398.18521	1.0
400.19897	0.8
402.22217	0.7
403.19562	3.9
404.19971	6.1
405.20764	15.6
406.21384	1.5
415.19272	0.9
416.20480	1.0
417.20898	2.3
418.22156	2.5
419.22446	11.7
420.23148	4.0
421.24271	0.6
430.17203	0.8
431.22455	1.8
432.23398	0.7
433.18967	0.7
433.24066	7.8
434.18713	0.7
434.24503	4.7
435.18124	1.7
444.19598	0.9
445.20331	1.5
447.21033	4.6
448.18900	1.0
448.26254	1.0
449.19562	9.2
449.24847	0.7
450.20425	2.8
451.21323	0.7
458.16614	0.6
459.21939	2.3
460.22052	0.5
461.19504	0.9
462.20456	1.4
463.21371	9.1
464.22092	4.1
465.23035	2.9
472.19104	0.7
473.19687	2.0
475.21158	4.0
476.21997	0.9
477.22949	5.2
478.23752	5.0
479.24469	41.3
480.24817	2.1
486.20517	1.0
487.21320	5.3
488.21277	0.6
491.20193	2.0
491.24503	2.6
492.25095	2.3
493.26297	2.3
501.23196	6.0
502.23566	2.5
505.26184	1.1
506.26352	0.8
507.27621	21.6
508.28290	1.0
519.23889	4.0
522.22723	0.8
533.25446	5.0
534.24817	0.9
536.24548	0.9
537.24957	12.6
539.26239	0.7
547.23505	0.8
550.25732	1.3
551.26575	33.5
552.26752	1.4
560.24719	1.1
561.25031	8.0
562.25623	0.8
563.22711	1.4
565.18982	0.8
565.28149	23.0
566.28912	99.3
567.29401	3.8
575.27032	1.6
577.24182	0.9
578.25439	1.2
593.27612	13.2
594.28082	1.2
603.25977	1.1
621.27142	19.4
622.27277	1.0
625.30328	0.7
635.28979	3.9
638.27802	0.6
653.29736	100.0
654.30536	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	653.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54967	0.4
68.67204	0.3
81.07066	0.4
83.08577	0.4
100.83500	0.4
105.06965	0.5
115.59853	0.4
117.07060	0.4
187.10847	0.3
196.26430	0.3
221.10622	0.4
223.12383	0.4
235.12230	0.5
260.88879	0.4
265.09503	0.4
375.16208	0.7
377.17596	1.8
378.19348	0.5
388.17490	0.5
389.18237	1.5
390.18387	1.9
391.19235	5.9
392.19977	2.7
393.21204	0.5
403.19638	1.1
404.20007	1.4
405.15799	0.7
405.20798	10.7
406.21573	9.5
407.22391	1.2
417.21304	1.0
418.21906	0.7
419.22739	3.1
420.23221	6.4
421.17487	0.8
421.23874	12.5
431.18512	1.0
433.20135	3.2
433.24432	1.9
434.24915	1.5
435.18048	1.7
436.18832	2.2
445.20123	2.9
446.25131	0.4
447.21979	1.6
448.22165	0.5
449.19376	2.0
449.27603	0.5
450.20639	2.6
451.21317	1.5
452.22037	2.7
458.17245	0.6
459.17960	1.1
460.22455	2.4
461.23563	1.1
463.22125	1.8
464.22128	0.9
465.22925	41.3
466.23224	1.5
473.19556	3.2
475.24823	1.7
477.22876	0.5
478.23697	0.9
479.24460	8.4
480.25070	4.0
486.20868	0.5
487.21570	1.9
488.22134	5.6
491.20047	2.1
492.20865	1.9
501.22870	1.3
502.23651	0.8
503.24478	49.6
504.24707	1.4
505.22580	1.4
506.26724	0.6
507.27588	3.8
519.23517	0.6
533.25781	1.2
535.27106	34.0
536.27240	1.4
551.26678	6.3
561.24707	2.0
565.27557	0.5
566.29181	2.2
579.26074	37.6
580.26007	1.1
593.27679	1.9
594.28406	19.1
621.27124	11.2
622.27045	0.5
635.27319	0.4
653.29755	100.0
654.30273	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	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45215	1.3
61.45846	1.2
67.05490	1.7
68.35861	1.3
71.53498	1.2
81.07016	1.6
92.88783	1.5
98.70202	1.3
106.68869	1.4
121.10155	1.3
126.35262	1.3
134.05951	1.3
196.09996	1.8
202.83304	1.3
209.10721	2.2
210.11473	1.8
211.12260	2.4
221.10609	2.2
223.08580	1.4
223.12325	2.4
225.10391	1.7
225.13785	4.2
229.56749	1.3
233.10786	1.3
235.08719	1.9
235.12421	1.9
237.10234	2.4
237.13911	2.6
249.10168	2.0
249.13954	1.8
251.08116	1.7
277.09756	2.4
314.09940	1.3
352.14771	1.3
364.14542	1.4
368.13864	1.4
388.17160	1.6
396.13229	1.6
402.18707	2.1
403.18704	2.0
416.16095	2.4
417.16571	1.6
429.17145	4.4
431.18524	5.1
432.19202	1.6
443.18546	2.3
445.20471	3.6
446.20831	2.1
447.21826	3.3
459.22400	6.1
473.19791	1.9
475.21744	3.1
487.21576	9.5
501.22653	3.8
503.20743	1.8
515.20898	2.8
519.24109	3.4
529.22321	3.0
533.25262	3.8
534.22485	1.8
547.23187	3.2
561.25055	100.0
562.25146	3.6
589.24451	8.9
603.22534	2.8
620.26300	3.0
621.27161	79.3
622.27228	3.8
653.28992	4.5
654.52844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85508	0.5
55.05449	0.5
59.06080	1.0
67.05430	0.7
69.27927	2.7
69.28355	2.3
81.07001	0.8
93.20679	0.5
98.20781	0.9
118.06438	0.8
120.08024	1.0
134.05948	0.6
138.05455	0.6
144.93294	0.5
172.03841	1.3
173.10655	0.7
195.09021	0.8
196.09830	0.8
197.10675	0.8
204.06448	1.1
207.09100	0.9
208.09837	1.0
209.10706	2.1
210.11423	1.8
211.12354	1.2
220.09827	0.6
221.10680	1.3
222.11409	1.6
223.08643	0.7
223.12260	2.6
224.12981	0.8
225.13785	5.2
226.14584	0.8
233.10735	0.7
234.11453	0.9
235.08464	0.9
235.12138	1.2
236.09389	0.7
237.10217	0.8
237.13852	3.1
238.14548	0.7
239.15404	1.1
249.10275	3.0
249.13988	2.6
249.67984	0.5
251.11893	0.8
263.08078	0.7
275.15466	1.2
277.09714	1.3
293.09091	0.9
314.12997	0.7
314.16382	0.8
324.11212	0.7
326.12784	1.1
328.14389	0.6
337.11908	2.2
338.12894	1.2
339.13593	0.6
340.14301	0.9
351.13788	0.8
352.10510	0.8
352.14450	1.1
366.16000	1.9
368.14032	1.0
381.10986	0.7
382.15756	0.8
387.16324	0.6
388.16992	0.9
394.15479	1.3
396.13315	1.3
399.15759	0.9
401.17886	0.9
402.18777	1.4
403.19519	0.9
412.16553	1.4
415.15030	1.6
415.20013	1.1
416.15668	0.8
416.20578	1.1
417.16611	1.0
417.21313	1.0
419.18661	0.8
426.18036	1.2
428.16534	0.9
429.17215	3.5
430.17886	2.2
431.17859	3.7
432.19141	1.0
433.20367	0.8
435.21817	0.9
441.50555	0.7
443.18890	1.7
444.19440	2.1
445.20309	3.4
446.20938	3.3
447.21976	5.1
449.19724	0.7
454.17480	2.2
459.22556	6.1
460.22485	1.3
471.18256	1.6
472.18579	1.7
473.19330	1.0
473.24023	1.0
474.19629	2.8
475.21469	2.6
481.35281	1.5
486.19800	0.9
487.21481	10.4
488.22427	1.3
489.23584	0.7
501.23120	4.9
502.23080	0.8
503.20621	0.9
504.21442	0.7
515.20782	2.1
517.22144	1.1
518.23358	1.3
519.24084	3.5
521.25464	1.3
529.22504	4.1
531.20331	1.2
533.25781	5.6
534.22797	1.7
546.22467	1.2
547.23480	2.4
561.25018	100.0
562.25317	3.7
589.24542	7.9
593.29987	1.0
621.27136	89.8
622.27539	2.9
635.29004	1.4
653.33252	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	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	1.2
71.28415	1.8
73.24250	0.9
78.35780	0.8
78.44022	0.8
79.05491	1.0
81.07072	1.0
83.06112	0.9
93.53278	0.8
94.06457	1.1
101.59327	1.0
105.89249	0.9
106.36345	0.9
118.06545	1.6
120.08084	1.4
141.06625	0.9
144.08122	0.9
169.98871	0.9
208.09901	1.4
209.10754	1.6
210.11476	1.2
216.45930	0.9
220.09944	1.2
223.12283	2.0
223.79314	1.0
225.13852	4.0
226.14653	1.9
235.12343	1.4
237.10332	1.6
237.13858	4.7
247.12340	1.3
249.10228	2.7
249.13914	2.9
251.08304	1.3
263.08112	1.1
269.12790	1.3
277.09650	1.9
314.45770	0.8
326.12970	1.4
336.15164	0.9
337.11871	2.2
351.13675	2.5
352.14923	0.9
382.15295	1.4
386.14957	1.4
396.13120	1.6
401.18121	1.1
402.18695	1.9
403.19589	1.3
415.14871	1.3
415.19742	1.5
416.15878	1.6
417.21225	1.5
428.16684	1.2
429.16953	2.8
430.17917	1.1
431.18616	4.2
443.18878	1.8
444.19473	2.5
445.20532	4.3
446.20981	3.6
446.82718	1.2
447.21832	4.2
454.17288	1.7
458.21201	1.0
459.22397	6.9
460.22696	1.3
473.18692	1.6
474.20300	2.0
475.21017	3.1
487.21564	10.1
501.22635	4.1
502.23950	1.6
503.20847	1.5
515.20508	2.9
518.23224	1.1
519.23657	3.8
529.22516	4.3
531.20422	1.3
533.26166	5.2
534.22467	1.8
547.23297	1.8
561.25024	100.0
562.25098	3.0
575.26221	3.9
589.24561	9.0
603.22461	1.1
621.27124	88.4
622.27283	4.3
635.27783	3.7
653.29553	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	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63319	0.5
55.05480	0.5
60.11145	0.4
67.05444	1.2
69.31937	0.4
70.99700	1.1
71.08573	0.5
79.05428	0.6
84.06811	0.4
91.05427	0.5
104.11706	0.4
105.06934	0.5
110.85716	0.4
113.66406	0.5
118.06458	0.8
120.08059	1.0
122.09647	0.5
138.05469	0.7
144.08101	0.6
146.05939	0.5
158.09583	0.7
168.07878	0.5
172.03909	1.0
194.08321	0.6
195.09082	1.0
196.09856	1.0
197.10699	0.8
204.06477	1.0
207.09116	0.8
208.09836	1.2
209.10706	1.8
210.11411	1.3
211.12302	0.8
212.13121	0.6
221.10663	1.5
222.11612	0.8
223.08557	1.2
223.12393	2.2
224.13007	1.1
225.13876	3.9
226.14555	1.3
233.10640	0.8
235.08641	0.9
235.12221	1.7
237.10175	1.6
237.13834	3.3
238.14583	1.4
239.15352	1.9
247.08621	0.5
247.12257	1.0
249.10214	2.4
249.13815	1.7
250.10989	0.8
251.08057	0.9
251.11792	1.4
261.13892	0.7
265.13513	0.9
269.12805	0.6
270.13580	0.6
275.08087	0.5
275.15509	1.2
277.09763	1.2
279.11215	0.7
293.09357	1.0
293.12714	0.6
296.11462	0.5
300.14941	0.8
311.14404	0.5
312.11404	0.6
313.12070	0.5
314.12842	0.9
314.16409	1.0
323.10141	0.7
324.15091	0.6
326.13004	0.6
336.11337	0.7
337.11804	1.7
338.12881	1.6
338.16611	0.8
340.14508	1.0
351.13678	1.1
352.14505	1.1
353.11380	0.6
354.12122	0.7
354.16003	0.8
364.14526	0.6
366.16068	1.5
368.13834	0.7
368.17975	0.6
378.12112	0.6
387.16025	1.3
388.16745	0.6
394.15353	0.9
396.13116	1.0
397.14407	0.8
400.16913	0.6
401.13345	0.6
401.18039	1.1
402.18790	1.2
403.19498	1.0
410.14758	0.7
412.16467	0.6
415.15491	1.6
416.15848	0.7
416.20551	1.0
417.16833	1.5
417.21237	1.1
426.18433	0.7
428.16727	0.7
429.16806	2.8
430.17688	1.6
431.18707	3.2
431.23047	1.5
432.19293	1.0
433.20154	1.0
442.13724	0.7
442.19266	0.8
443.19147	2.5
444.19504	2.0
445.20319	3.7
446.20877	4.0
447.21783	4.0
454.17508	1.6
457.16724	1.5
458.21442	0.8
458.52884	0.5
459.22375	5.6
460.22729	0.8
461.23795	0.7
471.18155	1.1
472.18640	1.3
473.18500	0.9
473.23627	1.7
474.20602	1.9
475.21487	2.8
476.22107	0.5
487.21548	10.7
488.22141	1.3
501.23087	4.3
502.23016	0.9
504.21680	0.8
505.25504	0.5
506.23788	0.5
515.20801	3.1
517.22205	0.8
518.23248	1.0
519.24261	3.2
529.22119	3.3
531.20532	1.1
533.25580	5.0
534.22906	1.4
546.22552	1.6
547.23438	3.1
561.25000	100.0
562.25330	4.3
589.24554	8.3
593.27515	0.8
621.27112	80.4
622.27429	3.4
635.24554	0.6
653.30109	0.8
659.44678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80190	0.8
55.05522	1.6
58.85156	0.9
67.05517	3.3
69.07069	1.6
69.42827	6.3
79.05502	1.5
81.03431	1.4
81.07059	2.6
83.08627	1.0
83.10282	0.7
90.00217	0.8
91.05495	2.0
93.07053	1.6
94.06612	0.9
95.04991	1.0
95.08617	2.8
97.02888	0.8
98.21500	1.1
105.07040	1.1
106.06521	1.0
107.08624	1.7
109.10175	3.0
120.08158	2.3
123.66456	0.8
134.06091	1.4
146.06084	0.8
171.09209	1.0
172.03999	1.1
173.11891	0.8
204.06721	1.5
223.12334	0.8
227.12025	0.8
230.14783	1.4
237.10176	1.1
249.10152	1.3
251.11818	1.0
253.13487	1.3
274.41016	0.9
279.11255	0.9
302.13095	0.8
311.14087	2.0
326.13260	1.1
337.12106	1.2
338.12906	2.0
339.13828	1.1
352.14600	1.8
354.16272	1.3
356.13992	1.1
369.14786	1.2
375.16199	1.1
382.15680	1.4
387.15958	1.5
388.17117	1.4
389.18112	1.4
390.18811	1.3
398.15018	1.0
401.68985	0.9
403.19266	2.6
404.19925	1.1
405.20813	3.3
416.15900	1.7
417.16599	2.0
417.21628	1.5
418.17566	2.0
419.18356	1.2
419.23071	1.5
420.23404	4.2
424.12711	1.1
428.16043	1.7
429.17130	1.2
430.17990	1.1
431.18839	5.3
432.19681	2.8
433.20450	6.4
445.20291	2.7
446.21094	9.1
447.22049	6.9
448.22629	6.2
454.17651	1.2
456.15610	1.1
458.16882	1.2
459.17682	1.6
463.21695	1.3
471.18176	1.1
473.20047	2.6
474.20282	1.8
475.21497	2.9
486.20975	1.5
487.21457	2.6
506.23755	1.4
519.24280	4.6
520.24548	1.1
521.25757	1.6
533.26172	5.8
534.26459	3.6
546.22229	5.0
547.24542	1.2
561.25073	29.4
562.25604	1.5
563.26697	5.5
589.24561	6.5
593.27625	31.7
594.27490	1.7
621.27191	100.0
622.27875	9.1
625.29932	0.9
653.29803	35.3
653.39624	4.2
654.30377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.23105	1.1
55.05502	1.4
65.03952	1.1
72.37994	1.1
84.03027	1.2
100.65108	1.3
114.07367	1.3
145.10042	1.2
229.63423	1.2
320.11813	1.4
389.17752	5.3
390.18579	3.5
401.18042	1.7
403.19565	4.5
404.20282	6.4
405.20999	5.8
407.22086	2.0
413.17770	2.4
415.19110	1.8
419.22650	6.0
420.23212	2.4
428.20190	2.2
431.18231	2.2
432.19263	2.4
433.19730	8.4
442.21851	1.8
444.23291	1.8
445.20242	2.3
446.21155	2.1
447.21716	8.7
457.23904	2.3
458.21136	2.4
459.21832	2.8
461.20212	1.6
463.21451	2.7
470.20914	1.5
471.21878	2.4
472.18942	1.9
473.19461	2.7
474.20508	2.7
475.21646	5.8
476.22171	2.0
477.18857	2.1
483.21628	4.2
484.22470	3.6
485.18964	2.3
486.20435	2.0
487.21365	7.1
488.21765	2.0
489.23312	1.8
491.20508	12.4
500.22070	2.3
501.22873	4.3
502.24063	7.4
503.24323	1.9
506.26657	4.2
516.25592	2.1
517.22839	2.2
519.24341	1.9
533.25507	3.7
534.26392	11.7
544.24921	2.0
545.25507	1.4
561.24823	5.5
562.25861	2.4
571.23566	10.5
572.23993	2.2
575.26532	31.8
576.26654	1.7
593.27386	5.8
603.26111	12.6
621.27148	57.8
622.27368	1.6
635.28723	57.9
636.28845	4.2
653.29700	100.0
654.30078	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	653.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96612	3.2
53.03934	14.8
55.01882	19.2
55.05524	22.9
57.03430	10.4
59.05005	5.1
61.02924	5.8
64.79826	3.4
67.05515	46.5
69.03437	24.2
69.07065	8.7
69.87299	5.5
69.87693	8.9
71.01328	3.6
71.04993	10.9
77.19765	3.2
79.05502	36.3
81.03425	100.0
81.07061	30.5
83.01349	10.9
83.04987	31.2
83.08629	16.0
85.02905	11.1
91.05489	26.2
93.07044	35.3
95.04967	10.0
95.08634	16.1
97.02901	35.4
97.06540	16.5
97.10167	3.4
98.20797	4.0
99.04465	12.6
99.08120	3.7
105.07053	19.9
107.04954	11.1
107.08618	23.0
109.02885	38.7
109.06532	8.9
109.10155	16.2
111.04443	26.9
111.08070	13.9
117.07018	13.0
119.08590	15.1
121.06528	7.0
121.10146	14.8
123.04425	3.3
123.08057	5.2
127.03936	24.7
129.05518	3.8
129.19876	3.5
131.08583	7.8
133.10141	5.9
135.11708	19.6
137.05937	4.0
145.10165	19.8
147.04424	7.7
147.11688	5.7
149.09631	4.8
153.12750	20.9
161.09850	3.5
163.03874	5.8
163.11208	38.6
173.09631	9.1
181.12296	29.2
182.30765	3.3
183.06575	4.8
189.11166	5.2
191.10681	23.3
209.11700	16.1
223.72293	4.1
227.12804	52.7
230.42828	3.8
283.15417	67.5
285.10214	4.6
285.25952	3.7
301.16559	3.8
317.13760	3.7
338.15219	5.1
353.16013	12.2
427.19659	12.6
491.26376	10.0
509.27286	8.7
635.30231	14.5
653.31622	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	655.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45481	1.2
69.45888	0.6
71.62621	0.2
79.60789	0.2
81.03362	0.3
83.68768	0.2
85.02879	0.3
98.21465	0.6
113.87965	0.2
127.03889	0.3
135.04422	0.5
137.05937	0.5
150.06767	0.6
151.03850	0.3
153.01837	0.5
153.64781	0.2
167.03355	0.8
187.70674	0.2
200.04742	0.4
213.05414	1.4
217.04951	1.4
228.04201	1.3
229.05017	0.5
238.06302	0.7
241.04951	0.5
243.06499	1.1
251.07060	0.3
253.05034	0.6
254.05717	0.8
256.03690	6.7
256.07315	7.8
257.04391	1.2
266.05722	1.4
268.03583	0.4
268.07510	0.4
269.04388	0.4
270.05206	0.6
271.06015	48.0
272.06680	2.5
281.04568	0.3
282.05298	1.2
283.06015	0.7
284.06763	4.3
285.04303	0.4
285.07611	2.2
286.04764	2.7
293.04395	0.4
297.03912	1.7
298.08313	0.4
299.05518	3.8
300.06262	9.3
301.07056	7.7
311.05478	4.6
323.60464	0.2
325.07343	0.3
329.06870	0.4
330.09039	0.4
357.07574	0.8
358.08130	0.3
359.09039	0.4
361.06976	0.7
369.07379	0.5
373.06992	0.4
375.08621	0.6
385.07272	0.7
386.07932	0.6
387.08450	1.1
388.09518	0.4
389.06128	0.4
389.10342	0.6
402.07449	0.3
403.08118	1.5
404.09198	0.3
405.09827	2.2
413.06720	0.4
414.07355	0.4
415.08279	0.5
416.09033	0.3
417.10013	0.6
431.07834	0.4
432.08273	0.4
433.08990	1.3
434.09906	1.6
442.06921	1.9
446.06284	0.5
447.10733	0.3
449.12314	16.4
450.12543	0.3
459.07343	0.6
460.07913	2.1
465.12036	0.6
475.10248	7.8
475.16782	0.5
493.11304	100.0
494.11664	2.4
655.16638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01881	0.7
55.05519	1.5
57.03437	0.9
64.27964	0.3
67.05511	3.3
67.84209	0.3
69.03432	1.3
69.07066	1.2
70.06593	0.5
71.04993	0.6
71.55296	0.4
79.05504	2.7
81.03429	5.1
81.07065	2.3
83.04983	1.4
83.08617	1.2
85.02917	1.3
85.77465	0.3
86.09686	0.4
91.05495	2.9
93.07038	2.4
95.04986	2.1
95.08632	1.2
97.02909	1.3
97.06562	2.0
97.10201	0.5
99.04466	0.7
105.07043	1.3
107.04984	0.9
107.08620	1.5
109.02885	1.6
109.06535	0.5
109.10179	0.9
111.04465	1.2
111.08077	0.4
117.07034	0.8
119.04991	0.4
119.08607	1.3
121.02911	0.3
121.06532	0.6
121.10159	1.4
123.04456	1.3
123.11789	0.4
124.99983	0.3
127.03954	0.7
129.07039	0.4
131.08615	1.0
133.10150	0.9
134.03691	0.6
135.04430	0.8
135.08076	0.3
135.11708	0.7
137.06004	3.4
143.08614	0.4
145.02869	0.5
145.06483	0.4
145.10196	0.9
147.04507	0.9
147.11678	0.9
149.02400	0.4
149.09612	0.5
150.03168	0.7
151.03963	0.4
153.01842	5.0
153.05553	0.5
153.12825	0.4
154.02635	0.3
155.08618	0.4
157.10109	0.6
161.02377	0.6
161.06097	0.4
162.03152	0.8
163.03923	2.1
163.11247	0.9
164.04779	1.1
167.03415	4.2
167.07111	1.5
169.05072	0.3
173.04539	0.5
175.04047	0.4
175.11218	0.4
177.05519	0.8
185.06090	0.3
191.10686	0.5
193.12173	1.4
194.05901	0.3
203.03432	2.2
209.11797	2.4
211.13297	1.5
213.05460	0.5
213.09308	0.3
215.07124	0.3
227.12923	0.9
229.05011	1.6
229.14378	0.5
237.03075	0.4
238.06375	0.4
241.05153	0.6
242.05771	7.9
257.04489	24.3
258.05228	2.6
259.09808	0.3
260.87555	0.3
267.16132	0.9
269.04532	1.2
270.05273	3.4
271.06015	7.1
283.15518	1.0
285.03909	3.3
285.10202	0.3
285.25342	0.3
286.04755	4.4
287.05533	0.7
297.03983	4.3
301.07190	1.3
305.08209	0.9
306.08682	0.4
308.06949	1.0
309.07870	0.9
310.04742	0.8
311.05655	0.7
315.04935	0.4
323.05576	0.9
325.07306	0.6
333.07626	0.7
334.08255	1.6
337.03586	0.3
337.07266	0.4
338.08133	0.4
344.07059	0.8
345.07587	2.5
349.07077	0.5
351.08401	0.3
352.09607	0.9
353.06683	0.4
353.10513	0.5
355.04715	1.1
361.07065	3.0
362.07944	1.3
363.08960	0.6
367.11884	0.4
373.07101	6.9
373.11560	0.5
374.07733	0.9
382.51718	0.3
389.06485	5.4
390.07425	1.6
391.08102	1.7
393.13635	0.5
396.12418	0.3
401.06577	2.4
405.10028	0.5
417.06168	0.8
418.06897	5.0
419.07568	6.1
421.13022	0.9
431.15231	0.5
433.09235	2.1
446.06400	10.0
449.16055	3.3
461.08746	23.2
462.09354	0.5
465.19153	0.7
475.18240	0.3
475.26926	1.1
493.11484	100.0
493.18625	15.7
494.11801	2.6
560.60089	0.3
637.32214	0.5
655.32123	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15739	1.1
86.44544	1.0
90.07690	0.9
91.05505	1.8
93.07032	1.5
105.07050	1.4
107.08601	1.0
111.97789	0.9
119.08575	1.3
121.10171	1.0
129.35103	1.0
133.10184	1.4
145.29422	1.0
156.51297	1.2
157.10150	1.7
209.10750	1.8
211.08617	1.1
211.12253	1.2
222.11562	1.6
223.12181	1.6
225.10245	1.2
225.13834	1.4
227.11792	1.2
235.08643	1.7
237.10297	1.5
237.13963	2.5
239.11687	2.1
249.10336	1.4
251.08203	1.8
251.11880	1.1
253.13489	2.1
263.12073	1.3
263.15286	1.2
265.09802	1.2
265.13568	1.2
268.99225	1.2
316.14499	1.3
325.12003	1.9
344.13843	1.5
391.19162	1.3
403.14911	1.6
403.19785	1.4
405.20590	1.4
417.17279	3.6
418.17786	1.9
419.22751	1.5
432.19452	2.4
433.20532	2.7
446.17194	1.8
447.16998	1.6
447.21683	4.4
460.18478	1.6
461.19736	4.7
462.20425	2.9
473.19315	1.6
474.20197	1.5
475.21445	13.4
476.21796	4.6
477.22803	2.3
489.23364	1.6
503.20908	2.9
521.22247	1.8
535.23224	6.9
536.23596	1.4
537.20850	1.5
547.23199	2.8
562.25818	2.6
563.26715	6.5
567.26031	2.1
577.24274	1.8
579.25787	2.5
590.25195	2.6
593.26953	1.3
594.27771	3.8
595.25256	5.2
605.24017	2.4
607.25085	3.0
609.27094	3.6
622.27905	100.0
623.26520	7.7
627.27673	4.5
637.26880	5.0
638.27148	4.1
655.27802	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	655.2772
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
57.03455	0.3
62.69729	0.3
67.05504	0.7
68.40408	0.3
69.07073	0.4
79.05495	0.5
81.03433	0.5
81.07053	0.6
83.04983	0.5
91.05486	0.5
93.07068	0.6
95.08608	0.6
97.06509	0.3
97.48549	0.3
105.07078	0.4
107.04993	0.3
108.08160	0.3
109.10166	0.5
116.49810	0.3
119.08573	0.3
121.06567	0.3
121.10210	0.4
123.87598	0.3
129.07043	0.3
129.32124	0.3
145.10114	0.4
161.05997	0.3
204.06677	0.3
225.10310	0.4
227.12012	0.3
239.11963	0.5
313.12836	0.3
314.13232	0.5
316.14706	0.3
326.12994	0.5
328.14273	0.4
354.12546	0.3
363.16251	0.4
375.16183	0.5
376.17151	0.6
377.17758	1.4
378.18903	0.6
379.19342	0.6
389.17899	0.5
390.18622	1.0
391.19556	3.3
392.20438	1.6
393.20850	1.2
402.17947	0.3
403.15143	0.5
403.19855	0.7
404.16342	1.1
404.20819	0.4
405.16364	2.6
405.21112	1.4
406.18079	1.3
406.22424	0.6
407.22659	4.5
417.16983	0.6
418.17480	1.6
419.18448	7.3
419.23630	0.6
420.19049	2.2
421.20157	2.6
431.18765	0.9
432.19528	0.9
433.20490	11.8
434.15836	0.4
434.21204	6.9
435.21976	6.4
437.19583	0.4
438.21429	0.4
439.21298	0.5
445.20850	0.4
446.21338	0.5
447.18066	1.9
447.22388	1.7
449.19876	1.5
451.21359	0.4
461.19150	1.9
462.20547	3.3
463.21329	3.9
464.22617	0.4
465.18851	1.9
475.21603	1.7
476.22446	0.6
477.19388	0.9
479.20795	1.0
480.21957	0.3
489.22891	1.1
490.20428	1.0
491.20831	2.0
493.21606	1.7
503.20810	0.8
505.22153	0.9
506.23141	0.7
507.20667	0.4
507.23492	0.4
508.20853	0.6
509.21506	0.4
517.22235	0.6
520.24872	1.7
521.25763	8.7
522.23877	0.4
522.58478	0.3
533.25085	0.3
537.21509	0.5
548.24707	0.4
549.25104	12.7
550.25439	0.4
551.23273	0.7
552.24036	0.5
565.24585	1.9
577.24554	7.6
578.24762	0.4
579.22620	0.6
580.27112	1.7
581.27777	1.7
595.25616	4.5
605.24097	0.6
609.27081	2.4
612.26068	0.4
637.26617	6.8
655.27722	100.0
656.28125	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	655.2771
Annotation	Cryptophycin 327
Peak:m/z	Relative Intensity
55.05509	1.7
57.03431	0.6
58.50217	0.4
67.05512	3.3
67.13127	0.5
69.03460	0.5
69.07085	0.8
70.36853	1.2
70.37227	0.9
73.48497	0.5
79.05502	2.1
81.03423	1.4
81.07058	2.1
83.08651	0.6
85.02920	0.5
91.05483	1.6
93.07057	1.5
94.06564	0.7
95.04964	0.6
95.08614	1.8
97.02915	0.5
98.97613	0.8
105.07040	0.9
107.08627	1.0
109.10143	0.6
114.93758	0.6
117.07063	0.8
119.08603	0.5
121.10228	0.7
129.06909	0.5
129.97662	0.4
133.10164	0.6
135.11682	0.5
145.10139	0.7
147.11708	0.6
149.01305	0.8
158.99724	0.5
163.11234	0.7
170.99702	0.8
189.00891	0.5
293.05841	0.5
335.26004	2.3
336.26022	0.7
363.16061	1.2
365.17877	0.8
377.17517	1.3
378.18219	0.7
379.19321	2.3
389.78281	0.5
391.15479	1.4
391.19629	1.2
392.16150	0.6
393.20883	4.0
394.21909	0.6
395.22153	0.8
404.16089	0.7
405.17188	1.7
406.17764	1.5
406.22498	0.7
407.18716	4.4
409.20334	0.8
419.18646	2.7
420.19666	2.3
421.20184	6.8
421.24677	0.7
422.20996	1.2
431.18826	0.6
433.20361	2.1
434.21466	1.1
435.18039	5.5
437.19980	0.7
444.19357	0.5
445.20117	1.1
447.17484	1.0
448.19193	1.7
449.19519	3.8
450.20761	1.9
451.21631	0.8
461.19858	1.2
462.20599	1.0
463.17267	7.0
467.20804	0.8
471.18591	0.6
473.20313	0.5
475.21353	1.2
477.18817	1.0
478.20111	1.7
480.21713	1.1
490.20068	1.0
491.21042	2.0
503.20831	0.9
507.24274	6.2
508.21036	1.1
509.21848	1.0
521.22278	2.2
535.23547	4.5
536.24030	0.7
537.25391	0.7
549.25708	2.8
553.20398	0.9
559.23523	1.8
563.23187	1.1
567.26263	5.7
577.24573	3.6
595.25677	10.1
619.25751	1.0
623.24951	0.8
627.28333	2.2
655.27667	100.0
656.28125	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	655.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98615	0.2
55.05515	0.3
62.93892	0.2
67.05508	0.3
75.04482	0.4
78.11893	0.2
79.05511	0.2
80.53461	0.2
81.07067	0.5
82.85403	0.2
83.29703	0.2
91.05509	0.2
93.07061	0.3
95.08631	0.3
98.21527	0.4
107.08614	0.3
119.08562	0.2
131.08589	0.2
301.14423	0.2
304.33041	0.2
377.17880	0.5
379.19299	0.3
389.98209	0.2
390.18588	0.4
391.19504	0.9
392.20151	0.5
393.20767	0.5
403.19370	0.2
404.15860	0.3
404.20480	0.3
405.16547	1.8
405.21149	0.7
406.17700	0.5
406.22275	0.4
407.17792	0.2
407.22473	4.1
408.22858	0.4
418.17874	0.6
418.22537	0.3
419.18243	2.9
419.23587	0.3
420.18964	1.4
421.19833	1.4
431.18582	0.3
432.19547	0.5
433.15549	0.4
433.20755	4.8
434.21136	4.7
435.21893	7.7
436.22772	0.6
445.20596	0.4
446.21411	0.3
447.17746	1.1
447.23248	1.7
448.18472	0.7
448.23035	0.9
449.19009	1.6
460.23099	0.3
461.19748	1.5
462.20425	4.8
463.21280	4.1
465.23364	0.5
466.23892	0.3
475.21405	1.9
476.22165	1.0
477.22919	1.3
478.24182	0.4
479.21072	0.9
481.26205	0.3
489.22675	1.1
490.23740	0.3
491.25073	0.2
493.21356	1.0
494.23306	0.3
495.24017	1.4
503.24692	0.3
505.22504	0.3
506.23465	0.3
507.20493	0.9
507.24200	0.7
508.24799	1.9
509.25549	1.6
510.26096	0.2
517.22595	0.4
519.23468	0.3
520.25165	0.4
521.25714	11.5
522.25989	0.3
534.22681	0.3
535.27130	0.8
540.26996	0.4
547.27008	0.3
549.25024	18.8
550.25592	0.7
553.23700	1.1
563.26630	3.2
563.76416	0.2
564.27148	0.6
565.26093	0.2
567.27948	0.4
577.24640	0.6
580.27057	0.3
581.27637	3.5
591.25867	0.2
595.29352	8.5
596.29913	0.4
607.29303	0.6
609.27136	10.8
623.28577	1.1
627.31116	0.2
655.31311	100.0
656.31549	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57564	1.8
53.03941	8.2
55.01889	9.9
55.05273	1.7
55.05517	29.1
56.96553	2.7
57.03446	16.3
60.19635	1.8
60.57821	1.7
61.02916	5.5
65.03944	3.9
67.05175	3.5
67.05513	47.5
67.31223	1.9
69.03430	20.3
69.07082	11.7
71.01344	2.3
71.04982	8.8
71.55648	2.7
71.55991	2.4
73.02925	4.0
79.05502	46.5
81.03425	100.0
81.07068	39.3
83.01321	2.7
83.04993	46.9
83.08630	21.5
85.02905	19.7
85.06544	3.9
91.05487	45.1
93.07052	38.1
95.04986	25.0
95.08617	19.1
97.02910	19.7
97.06528	16.1
97.10172	7.8
99.04443	8.6
101.02415	5.0
103.05438	4.5
105.07042	29.6
107.04976	13.2
107.08603	20.7
109.02871	16.6
109.06505	8.9
109.10143	12.6
111.04455	25.6
111.08087	12.5
115.05450	2.9
117.07024	11.3
119.08582	21.1
121.06520	6.4
121.10156	19.9
123.04460	4.0
123.08077	4.9
123.11678	2.5
125.06036	3.0
125.09656	5.1
127.03931	14.6
129.05499	14.2
129.06972	11.0
131.04958	3.0
131.08580	13.4
133.06470	3.2
133.10158	9.4
135.08057	3.6
135.11702	19.7
137.09612	5.0
140.30823	2.3
143.08569	2.6
145.02846	2.8
145.06462	2.8
145.10146	13.8
147.04404	7.4
147.08090	4.2
147.11697	17.1
149.09633	7.7
153.12733	14.4
155.08578	4.3
157.10149	9.0
159.04408	5.1
159.08055	3.0
161.02354	2.9
163.03934	15.2
163.11198	30.9
165.12791	3.7
173.02371	3.9
173.04506	4.5
173.05956	2.7
173.09616	5.3
173.11842	2.7
175.11234	9.5
181.12273	14.3
187.03972	5.0
189.11186	3.6
191.10663	15.4
193.12241	34.2
199.03897	3.9
203.03462	2.4
209.11702	13.2
211.11334	3.0
211.13316	49.0
213.05487	7.1
227.12782	25.8
229.14354	5.2
249.14854	2.9
267.09195	3.9
267.13748	6.2
267.16006	6.6
273.14792	2.5
283.12512	2.3
283.15485	32.9
285.10080	3.7
285.16953	8.8
293.11484	2.2
311.12531	4.3
311.16245	2.2
337.14081	4.6
353.16058	4.3
355.15125	13.7
427.19601	3.6
429.19092	13.7
439.26874	3.0
457.25793	2.9
475.26788	8.3
493.19046	16.3
493.27896	23.9
511.29056	3.0
619.29523	2.6
637.31708	15.4
655.32788	18.2
683.78882	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
53.27507	2.4
55.01874	6.1
55.05517	29.3
56.96568	3.5
57.03437	6.6
67.05509	27.3
69.03424	6.0
69.07079	13.8
69.27365	2.4
71.04990	4.2
71.37727	5.9
79.05502	28.8
80.05827	2.8
81.03410	8.2
81.07076	19.5
83.04986	5.6
83.08634	12.9
85.02898	5.9
91.05494	23.5
93.07060	14.3
95.04971	5.7
95.08608	11.3
97.02883	3.8
97.06512	6.4
97.10163	25.6
98.97604	3.6
101.44977	2.5
103.05479	9.4
105.07039	20.4
107.04935	3.3
107.08598	11.9
109.10189	6.5
115.05454	6.2
117.07031	33.6
119.08595	8.0
121.10123	3.9
125.09644	24.4
129.07028	15.8
131.04985	2.8
131.08592	23.7
133.06493	5.0
133.10159	3.8
135.08040	5.5
141.07010	5.8
143.08542	7.0
145.06525	10.1
145.10126	5.9
147.04378	3.6
147.08057	3.2
153.09062	3.4
155.08553	7.8
157.06499	2.7
157.10168	3.4
159.08078	5.6
159.11717	3.6
163.03966	3.5
169.10135	7.1
171.11670	3.9
173.02379	3.0
173.09624	2.9
179.08577	2.4
185.13292	2.7
187.14790	6.4
189.11241	14.8
193.28694	2.7
197.13318	12.4
209.13264	4.9
215.14348	37.6
227.12794	22.4
241.12329	3.2
256.06613	2.5
261.38879	3.0
339.23047	3.2
349.21613	5.1
367.22617	15.3
385.23697	11.6
403.24722	3.3
441.20764	4.8
441.26398	60.9
459.27420	100.0
460.27716	3.2
477.28400	14.0
517.94989	3.3
656.31000	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	656.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.3
57.03421	2.2
57.07085	14.0
59.05002	3.5
65.03933	2.1
67.05510	91.1
69.07052	4.4
71.05006	2.5
71.08637	12.0
71.10735	2.9
72.27248	1.5
79.05485	2.3
81.07065	18.0
83.08642	8.3
85.06554	1.3
85.10179	5.1
91.05467	5.8
93.07041	4.8
95.08617	15.4
97.10180	3.7
107.08613	2.3
109.10171	73.1
111.08081	3.7
119.08549	4.2
137.05988	5.7
137.09615	3.2
155.10657	4.7
173.11760	13.8
239.23776	1.8
277.18005	2.4
295.19125	1.2
313.27347	3.6
351.21707	2.3
383.24310	55.1
406.86942	1.3
467.37387	100.0
468.37643	2.9
525.07422	1.5
570.01093	1.7
589.44568	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	656.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.7
54.38091	2.9
55.01869	6.2
55.05307	2.9
55.05514	30.8
55.23810	3.0
57.03437	25.6
57.06793	4.0
57.07080	80.6
63.07430	3.3
64.77373	3.1
65.03946	6.4
67.05508	100.0
69.03419	6.0
69.06725	5.3
69.07072	81.3
71.04996	29.4
71.08268	5.7
71.08631	45.4
71.12004	6.0
73.02916	5.1
79.05499	70.1
81.03422	24.6
81.07060	97.1
83.04987	17.7
83.08617	27.8
83.69784	4.1
85.06579	5.0
85.10190	28.5
87.04514	4.5
89.06037	3.4
91.05484	55.5
93.07052	58.6
95.04978	26.3
95.08612	75.9
95.30178	3.7
95.52487	3.3
95.74957	3.5
95.75591	3.3
97.06532	85.7
97.10172	13.6
99.08094	10.5
103.03896	3.3
103.05460	3.9
105.07038	38.4
107.04960	10.3
107.08588	28.0
109.06506	20.2
109.10166	42.6
111.08116	7.7
111.11724	4.6
112.07608	7.1
115.05492	3.2
115.07583	43.1
117.07046	13.6
119.08594	25.4
119.63927	3.1
120.70628	3.6
120.96030	3.2
121.06550	5.7
121.10164	23.8
123.08059	7.1
123.11709	5.8
125.09585	8.0
129.07037	10.4
131.08571	31.1
133.06485	7.4
133.10150	20.4
135.08044	12.1
135.11693	10.9
140.07056	6.1
142.07845	3.6
143.08568	9.9
145.10127	17.0
147.08023	6.6
147.11723	5.2
149.09604	8.3
149.13245	12.4
151.11214	3.8
155.08450	4.1
157.10150	10.5
158.08168	3.1
159.11720	12.7
161.09592	9.1
163.11157	4.6
173.11777	5.3
175.11208	7.7
177.12753	7.6
185.13193	5.7
189.12708	4.7
193.12286	4.5
195.12056	3.7
217.15808	9.5
227.12762	6.6
229.14427	10.3
233.15523	8.8
239.23680	9.6
245.19040	6.2
247.06352	3.2
253.14363	5.2
255.17409	6.7
265.68674	3.3
267.15952	11.5
269.17499	6.0
273.18579	33.4
291.19510	19.3
297.17221	4.5
297.24319	6.8
313.27390	96.6
341.26913	6.4
347.22235	5.4
365.23105	6.2
383.24100	3.9
428.38300	3.9
505.38849	6.5
507.40372	35.7
523.39642	4.1
535.39795	4.4
603.46301	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	657.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60095	0.3
53.03931	0.5
55.05497	0.6
57.03436	1.5
61.02933	1.6
67.02174	0.3
67.05482	1.3
69.03436	3.9
69.07052	0.4
69.36481	0.3
69.36777	2.7
71.03838	0.3
71.04973	0.4
71.41410	0.3
73.02897	0.6
76.62447	0.3
79.05468	1.3
81.03419	2.4
81.07027	1.2
83.04951	0.5
83.08588	0.4
83.82686	0.3
85.02441	0.5
85.02908	7.5
87.04471	0.6
89.03901	0.4
91.05479	1.8
93.03388	0.4
93.07014	1.4
95.05006	1.6
95.08594	0.9
97.02901	2.9
97.06509	0.9
97.10160	0.3
99.04455	0.6
101.21619	0.4
103.05491	1.8
105.03312	0.3
105.07001	1.0
107.04946	0.8
107.08551	0.7
109.02856	1.2
109.06474	0.4
111.08010	0.4
118.04153	1.1
119.08591	0.4
121.06474	1.1
121.10104	0.4
123.04431	0.4
127.03915	1.8
129.39438	0.3
130.04120	0.4
131.04939	2.9
131.08458	0.4
132.05695	1.3
133.02808	0.4
133.06424	0.3
133.10132	0.4
135.04424	0.6
135.11702	0.5
139.07559	0.3
140.04727	1.7
145.04953	1.2
145.06496	0.3
145.10095	0.4
146.03595	1.6
147.04361	0.6
147.08041	0.4
148.05130	0.7
149.05954	1.4
149.09608	0.3
151.03859	0.4
153.01826	3.8
153.05444	0.5
154.06181	0.8
159.04434	0.6
160.05197	0.7
161.02310	0.5
161.05972	1.4
162.03093	0.3
163.03915	2.3
163.07629	0.3
166.06372	0.4
167.03310	0.7
167.07054	3.2
173.06007	0.4
174.92139	0.3
176.04678	1.2
177.05490	1.8
178.06252	2.3
179.06934	0.4
181.08533	0.5
182.09358	0.8
191.07057	3.0
192.07787	1.5
193.08621	0.4
193.12184	0.5
203.03365	2.6
210.08893	2.1
229.04945	3.7
241.05020	1.0
242.05737	4.8
250.11836	0.4
253.04985	1.5
255.06725	0.4
257.04453	41.0
258.05249	8.4
259.09616	0.5
267.09030	0.4
267.15936	0.4
269.04416	0.8
270.05176	1.1
271.05972	1.7
272.06522	0.3
283.06155	0.4
285.03909	5.3
286.04730	18.7
287.05502	12.8
297.03970	3.6
299.05536	1.2
300.06262	1.0
301.07074	0.8
311.05353	1.6
323.05447	0.6
327.05145	2.8
329.06464	0.4
341.06570	2.5
367.22717	0.4
385.23492	0.4
387.08679	0.4
413.06488	0.4
416.09103	0.5
417.09818	0.5
419.07645	0.7
433.08865	0.5
444.08136	0.5
445.08859	0.8
447.06918	1.4
459.27319	0.8
461.08603	0.5
462.09534	0.9
465.11945	2.8
477.11801	11.2
477.28497	1.0
495.12872	100.0
496.07153	0.4
496.13123	2.3
616.91498	0.3
657.31317	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42331	0.2
55.58987	0.2
63.91284	0.2
67.05510	0.2
68.99464	0.2
68.99791	0.2
69.18419	1.6
79.05464	0.3
81.03370	0.2
81.07018	0.3
89.03907	0.3
90.53915	0.2
91.05488	0.7
93.07040	0.4
95.04945	0.5
97.02882	0.2
97.06505	0.2
103.04899	0.2
103.05483	2.1
103.96245	0.1
104.06258	0.2
105.03379	0.2
105.07005	0.5
106.04213	0.2
107.04912	0.4
109.10157	0.2
115.05447	0.2
116.84955	0.1
117.03381	0.3
117.06992	0.2
118.04184	1.2
119.04893	0.3
119.62637	0.1
121.02888	0.3
121.06492	0.6
123.04417	0.4
124.90821	0.1
125.02335	0.2
130.04166	0.8
131.04933	2.9
132.05728	2.2
133.02844	0.4
133.06554	0.3
135.04375	0.6
140.04718	1.7
145.06548	0.2
146.02609	0.2
146.03653	2.1
147.04391	0.7
148.05170	0.5
149.05949	0.9
151.03932	0.3
153.01843	4.0
153.05470	0.4
154.06236	0.4
155.07037	0.4
159.04411	0.3
160.05186	1.1
161.02440	0.2
161.06010	1.1
162.03120	0.8
163.03882	1.1
163.07558	0.3
165.05487	0.2
166.06236	0.4
167.07050	1.7
173.05986	0.4
176.04707	1.8
177.05466	2.0
178.06256	3.1
179.07063	0.2
180.07845	0.3
181.08595	0.2
182.09340	0.3
191.05389	0.3
191.07043	4.3
192.07797	1.5
193.04948	0.2
201.05496	0.2
203.03418	2.9
210.08855	0.4
213.05449	0.3
229.04994	3.7
241.04988	0.8
242.05762	7.0
242.08257	0.3
243.06068	0.2
253.04961	1.7
255.06775	0.2
257.04468	46.5
258.05243	10.7
266.81976	0.2
269.04462	1.3
270.05249	1.8
271.06073	1.4
283.06061	0.5
285.00793	0.3
285.03952	5.6
286.04733	23.3
287.05515	17.5
288.05789	0.2
295.06003	0.4
297.03964	3.6
298.04559	0.3
299.05493	1.5
300.06308	1.1
301.06952	0.6
311.05591	0.5
312.65573	0.2
313.07068	0.3
323.05530	0.5
327.05023	2.3
329.06592	0.2
341.06580	2.5
343.09769	0.3
345.07932	0.2
359.09088	0.2
371.09103	0.2
373.07169	0.4
374.07602	0.2
387.08713	0.2
388.09647	0.2
389.06555	0.2
391.07971	0.2
403.08185	0.4
416.08896	0.4
419.07645	0.6
429.06299	0.2
431.07898	0.2
433.09222	0.4
444.08578	0.5
445.09152	0.8
447.06976	1.3
461.08701	0.4
462.09604	1.5
465.11914	3.5
477.11838	14.2
478.12207	0.3
495.12894	100.0
496.13217	2.5
657.18225	1.0
657.28265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.27296	0.2
63.56045	0.2
67.05500	0.3
68.38946	0.2
68.99219	0.2
70.80024	0.5
79.05486	0.2
81.07036	0.3
84.04455	0.2
91.05460	0.4
93.07017	0.3
95.04929	0.2
97.06504	0.3
99.00711	0.2
103.05460	0.4
105.07005	0.3
107.04960	0.3
118.04197	0.2
119.04868	0.2
121.02879	0.3
121.06498	0.3
123.04416	0.3
131.04919	0.4
132.05696	0.2
133.02870	0.3
133.06500	0.4
134.03610	0.2
135.04376	0.5
136.05177	0.4
140.04668	0.5
146.03627	0.2
147.04433	0.3
149.05975	0.3
151.03944	0.4
153.01849	2.2
153.05478	1.7
159.04396	0.2
160.05247	0.3
161.05948	0.5
163.03899	0.7
163.07678	0.2
165.05461	0.4
166.06276	0.7
167.07043	0.3
168.07834	1.7
177.05473	0.5
178.06248	0.6
180.07822	0.4
182.84801	0.2
191.07079	0.6
192.07811	0.3
196.07384	0.9
196.08865	0.2
197.71397	0.2
203.03391	3.6
206.09996	0.2
210.08974	0.2
213.05539	0.3
215.07001	0.2
229.04977	4.5
236.93837	0.2
241.05028	0.5
242.05789	1.7
253.05005	0.4
257.04465	80.9
258.05194	3.1
259.09714	0.3
261.52460	0.2
269.04437	0.5
270.05316	0.7
271.05981	0.5
275.39813	0.2
283.05710	0.2
285.03970	4.3
286.01489	0.2
286.04736	6.3
287.05530	7.7
295.06009	0.2
297.03961	5.0
299.05530	0.7
300.06091	0.4
311.05783	0.3
327.05325	0.4
341.06659	0.4
359.09122	0.5
373.07193	0.2
374.07782	0.2
375.08466	0.3
387.08734	0.3
388.09531	0.2
399.84546	0.2
401.73431	0.2
403.08218	0.4
404.08395	0.3
405.09686	0.4
407.07654	0.2
415.08038	0.2
416.08829	0.2
419.07782	0.6
421.09256	0.5
421.36401	0.2
433.09427	0.6
447.06671	0.3
449.08896	0.5
450.09412	0.3
461.08813	0.3
462.09622	0.4
465.11914	5.1
477.11893	3.0
480.10568	0.4
495.12897	100.0
496.13303	2.3
623.94476	0.2
657.18408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51383	2.2
67.05496	5.2
71.55228	3.4
80.65760	2.1
81.07037	5.5
84.95583	1.9
89.65697	2.1
91.05501	2.2
93.07030	2.2
99.65945	2.2
105.07005	2.4
105.51734	2.2
130.20164	2.0
227.13293	2.3
313.27069	2.0
404.52893	2.2
405.20767	2.8
427.19128	2.8
431.22882	2.2
441.18964	8.2
455.19394	3.5
477.18475	3.1
479.17010	2.8
483.22256	2.8
495.15964	3.4
505.18005	3.4
506.19397	2.9
519.19556	8.4
523.19281	4.9
533.17383	4.3
537.20636	6.3
551.21826	2.7
569.23059	3.3
579.21619	27.4
597.21997	2.3
607.20984	8.5
621.27356	4.8
625.21643	4.2
639.23816	44.4
640.24078	2.6
657.24744	100.0
658.24951	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	657.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
57.07049	0.6
57.65659	0.7
60.89954	0.5
63.05561	0.7
67.05501	1.1
67.81030	0.6
70.67000	0.8
70.67350	1.6
79.05513	0.8
81.07062	1.1
93.07069	0.7
94.97836	0.6
105.07121	0.9
207.37512	0.7
376.17285	0.9
385.15494	0.7
390.18872	1.0
397.15329	0.8
398.15494	1.3
403.19324	1.6
404.20203	1.9
405.20914	1.9
406.21954	0.8
411.16086	1.6
412.16946	1.5
413.17752	2.8
414.18564	1.4
419.22366	1.8
425.17575	2.2
426.18826	1.1
427.19424	3.6
428.20108	1.2
433.11908	0.9
433.24640	0.9
434.13306	1.1
434.24872	1.1
435.13928	1.4
439.16995	0.6
439.18994	0.7
440.16898	0.8
441.18332	4.2
442.21808	1.5
443.22836	0.9
447.14236	1.2
448.14703	1.6
449.15289	2.6
453.17349	1.2
454.17789	0.8
455.19241	1.2
459.22214	0.8
462.16177	1.5
463.17392	2.8
464.18033	0.9
469.20621	1.6
471.18832	0.6
475.21530	1.0
477.18396	3.9
478.19232	1.8
480.17041	0.9
481.17227	0.9
483.21869	2.2
484.22595	2.0
487.21542	1.5
490.15958	1.1
491.20389	2.1
492.21387	4.4
493.18152	6.3
494.19019	1.0
495.15729	1.6
496.16678	0.9
499.21686	0.9
501.23083	1.6
504.17233	1.2
505.17966	2.0
506.18787	4.0
510.17996	1.8
511.21463	1.0
519.19739	11.2
520.19653	2.1
522.18182	1.0
523.19061	2.8
533.17627	2.4
534.18561	1.2
537.20618	3.2
543.24249	1.2
547.19055	2.6
551.22394	4.7
563.22198	2.5
569.23010	1.6
571.23132	1.1
572.24225	1.3
579.21625	35.6
607.21259	13.4
621.26959	1.4
625.22192	1.7
639.23694	100.0
640.24121	3.2
657.24774	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	657.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74420	0.8
59.06106	1.3
69.88914	4.9
79.90633	0.9
81.07036	1.0
122.09682	1.1
132.08084	1.4
156.08191	1.0
183.09117	1.3
189.10237	1.0
196.11354	1.1
197.10736	1.3
199.08670	1.0
207.09299	1.3
209.10699	2.0
221.10692	1.9
223.12257	2.5
225.13860	1.2
234.11647	1.3
235.12309	1.7
237.13925	2.5
247.12283	1.6
249.13939	1.9
261.13852	2.7
262.14886	1.0
264.50696	0.9
273.13922	2.8
275.15244	1.6
277.13382	1.4
287.15359	1.7
288.16180	1.5
290.16431	1.1
291.53156	0.9
302.12469	0.9
302.16360	1.1
312.14981	1.2
314.16470	1.6
316.14694	1.4
316.18515	1.1
318.16159	1.2
326.16415	1.5
330.15854	1.4
332.17590	1.8
336.14844	1.6
337.15512	1.1
338.16550	2.2
340.18188	1.3
350.16107	1.8
351.16849	2.6
352.17969	2.6
354.19623	1.6
361.14655	0.9
362.16357	1.0
363.16336	1.9
364.17026	2.0
365.17780	4.1
366.18970	1.6
375.16376	1.5
376.17313	2.8
377.17883	5.2
378.19354	2.0
379.19574	5.5
380.20789	1.4
381.21011	2.4
386.64517	1.0
389.17725	3.5
390.19128	1.8
391.19446	7.3
392.20444	4.7
393.16949	2.7
393.21417	5.4
394.17450	1.4
395.18216	2.0
395.22714	2.0
405.16306	1.3
405.21573	5.0
406.22253	1.5
407.17755	4.4
407.22556	3.6
408.19476	4.8
409.20267	8.2
410.18521	1.3
412.20288	1.4
417.16995	2.3
419.18137	4.3
420.19791	1.8
421.19608	8.0
421.24768	2.1
422.21265	6.2
423.21875	24.0
424.22418	2.5
425.20291	1.0
426.22089	1.0
430.18427	1.1
431.18890	1.3
433.20145	3.6
434.21066	2.0
435.22098	9.5
436.23276	5.8
437.23920	7.2
438.23074	1.0
440.23007	1.1
445.20117	1.4
446.20935	2.6
447.22122	1.9
449.24371	5.7
450.24207	3.5
451.20648	6.4
452.22769	1.2
453.22885	1.9
454.20105	4.6
461.23764	8.8
462.20847	3.0
463.21109	5.6
464.22174	3.7
465.23303	4.4
466.22900	2.9
467.24356	4.1
468.24615	3.8
469.26984	1.2
476.21350	1.3
477.23373	7.7
478.23480	4.1
479.25339	7.0
480.22153	1.3
481.22083	4.7
482.23273	1.3
483.23618	1.1
493.21570	10.1
494.27020	6.7
495.23807	19.2
496.24747	6.9
505.21866	1.4
506.22748	1.5
507.23666	3.3
508.17889	1.5
508.24823	18.6
509.25961	15.8
510.26468	13.6
511.27353	17.2
516.25183	1.5
519.23822	3.1
520.22760	1.0
521.25574	8.1
522.26855	2.0
523.23279	6.3
525.28320	2.5
526.28955	3.4
537.25140	22.4
538.25812	13.0
539.25836	1.3
549.24664	2.9
551.22565	1.8
553.28693	11.0
555.25995	3.0
565.24512	4.9
566.24884	2.5
570.28601	5.2
581.27612	27.5
582.27008	2.1
583.25592	7.4
596.27942	1.4
597.27179	60.3
598.27966	10.6
607.25238	1.6
613.30298	75.5
614.30438	3.2
625.26611	100.0
626.26447	3.8
639.28510	1.1
657.29242	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47780	1.2
69.23257	12.5
91.17928	1.3
144.07997	1.7
146.09599	1.6
184.09930	1.5
209.10934	1.9
210.11305	1.3
218.09938	1.4
223.12169	1.7
233.93724	1.1
237.13858	1.8
247.12318	1.7
261.13873	2.7
318.15875	1.4
327.16772	1.3
334.15430	1.5
348.15207	1.8
351.16663	2.9
352.18140	2.4
362.16080	2.0
363.16309	2.2
364.17795	3.4
365.17957	3.7
375.16284	2.1
376.17557	2.4
377.17715	3.9
378.19025	1.9
379.19150	5.9
380.20758	2.3
389.17947	1.7
389.98434	1.7
391.19336	4.8
392.20264	5.4
393.16895	3.7
393.20844	3.9
394.17825	3.1
395.18375	2.2
404.16525	1.7
405.20749	4.6
406.21613	3.0
407.18140	3.8
407.22467	4.6
408.19330	4.9
409.20392	8.4
418.17963	1.8
419.18820	3.8
421.20081	5.8
421.24634	2.5
422.20828	5.7
423.21832	24.9
424.22375	1.7
431.18674	3.1
433.20221	2.2
434.21536	1.9
435.22443	8.6
436.22229	4.3
437.23300	4.2
442.21231	1.7
446.13614	1.7
447.22461	1.8
449.23257	4.7
450.24579	2.5
451.21024	6.7
453.22672	2.3
454.19955	4.9
461.23569	8.9
462.20657	4.0
463.21295	4.7
464.22015	1.9
465.23450	6.1
466.21423	2.4
467.24280	4.5
468.24911	2.7
476.21786	1.8
477.23535	7.3
478.23779	2.4
479.25082	7.3
481.22110	3.1
493.22232	5.9
493.27176	1.4
494.27258	6.8
495.23480	15.4
496.24472	5.2
505.22159	2.6
507.24277	2.9
508.24771	18.2
509.25827	11.8
510.26453	14.5
511.27274	16.9
519.23737	2.4
521.25598	6.7
522.26001	2.6
523.23370	5.9
525.28491	3.3
526.29297	3.0
537.25049	23.4
538.25757	12.6
539.26227	2.6
549.25336	2.4
551.22827	2.1
553.28473	11.1
555.25909	2.3
565.24097	5.1
566.25403	2.3
570.27979	5.8
581.18304	1.4
581.27509	26.1
582.26135	2.7
583.25452	9.5
595.28564	2.7
597.27130	58.5
598.27576	10.5
607.25122	2.4
613.30243	77.8
614.29871	3.1
625.26605	100.0
626.26941	4.1
657.28815	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	658.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.6
57.03447	6.7
57.06826	2.3
57.07084	36.4
61.02935	16.1
67.05510	13.7
69.03429	1.8
69.07079	11.8
69.79262	5.4
69.79692	4.7
70.06599	2.7
71.08639	33.8
71.09005	2.8
73.02937	5.9
75.04506	1.7
79.05522	3.7
81.03437	4.5
81.07068	17.6
82.29139	1.4
83.08643	9.4
85.02917	17.1
85.10204	18.8
88.07639	1.6
91.03961	12.3
91.05460	4.0
93.07056	5.7
95.05019	1.8
95.08622	24.4
97.02896	9.4
97.10191	4.3
102.09200	4.2
105.07020	2.6
107.08608	3.1
109.10168	9.8
111.11749	2.8
119.08518	1.8
123.11712	3.2
125.09695	1.7
125.13275	1.9
127.03909	5.0
131.08586	2.2
145.04956	8.2
149.02347	6.9
163.05997	9.9
184.07373	2.3
193.04967	8.6
225.22162	28.9
237.07605	2.2
243.23271	3.4
256.26468	6.1
262.65057	1.7
267.15958	3.6
269.17590	3.3
287.96402	1.7
299.25861	100.0
317.26920	36.7
385.08951	3.2
429.11948	5.4
453.12711	1.8
454.10336	1.8
461.28925	4.2
477.62155	2.1
559.35669	2.0
658.25421	2.7
658.36542	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	659.2348
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05498	2.4
57.03428	2.4
60.81683	1.6
61.02921	3.0
67.05507	7.7
69.03441	1.5
69.07076	2.9
71.55453	2.1
73.02907	1.4
79.05484	4.4
81.03417	2.7
81.07051	6.3
85.02894	4.1
91.03944	1.5
91.05473	4.4
93.07047	5.5
95.04954	1.7
95.08615	3.9
95.23698	1.4
97.02918	3.3
105.07016	4.8
107.08582	4.4
109.10142	2.9
115.35748	1.2
119.08585	1.8
121.10126	2.0
127.03835	1.5
131.08583	1.9
133.10162	2.0
138.51776	1.5
146.10519	1.6
154.76601	1.5
154.77946	1.3
241.34621	1.4
335.25903	3.3
386.13879	2.3
398.13620	2.1
399.14520	4.1
400.15375	6.3
413.15945	4.0
414.16830	5.2
421.12073	1.8
422.13956	2.4
423.14709	2.9
424.15768	1.6
425.17221	1.6
426.16721	2.4
427.17081	1.8
428.18530	1.9
429.19022	3.0
435.14655	2.6
436.15201	4.5
437.16135	9.7
438.17233	1.8
441.14899	2.8
442.15671	2.3
443.16696	1.6
450.16910	3.1
451.17862	3.3
452.18674	4.0
455.17499	2.2
456.17508	3.0
457.17780	2.0
465.14890	2.7
465.20242	2.6
466.12662	3.1
466.20715	1.9
467.17307	3.2
469.15057	1.7
480.17740	5.0
481.14828	2.2
483.17053	7.3
484.16962	4.6
491.13214	1.9
492.13998	2.1
493.19318	8.0
494.15555	3.8
495.16324	6.8
496.17368	2.1
497.14355	2.5
498.15018	1.7
507.16391	3.8
508.17834	8.9
509.18161	4.3
511.16278	6.2
512.16748	9.3
521.18225	11.9
522.14612	3.7
533.17719	1.8
535.15680	2.2
538.18787	1.7
539.19421	11.7
540.17340	5.9
543.22052	2.7
551.19196	7.1
553.21448	12.5
567.18341	2.3
571.21838	9.5
572.22015	4.3
581.20386	51.8
585.23346	2.9
595.18286	3.4
599.20929	32.7
600.21143	3.8
609.19873	1.8
613.23029	24.5
622.22369	3.1
627.20709	15.9
631.23578	5.2
641.22510	100.0
642.22339	2.9
659.23328	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	659.2351
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
52.91373	0.7
55.05502	0.9
58.01805	0.7
64.78158	0.7
67.05511	1.3
79.05492	1.8
81.03429	1.2
81.07058	2.1
87.55111	0.6
91.05516	1.3
93.07083	1.6
117.07004	1.0
121.97737	0.7
145.10184	1.1
164.97067	0.7
386.13864	1.2
399.14664	2.2
400.15427	7.7
402.17297	0.9
407.11691	1.0
408.12421	1.2
409.13202	1.2
410.14847	1.5
411.15448	0.8
413.16455	1.2
414.16763	2.6
421.13193	3.3
422.13913	6.7
423.14673	4.3
424.15891	2.4
428.18234	1.5
429.19604	4.1
435.14621	4.6
436.15549	7.0
437.16428	11.8
438.16772	2.6
439.18243	1.4
440.14868	0.9
441.15814	2.4
442.16815	0.8
449.16116	2.4
450.17511	3.9
451.18527	6.1
452.19272	4.5
455.17422	2.9
456.17822	1.7
457.17453	0.8
463.14258	1.4
464.14441	4.2
465.15561	4.7
465.20331	2.4
466.20294	1.6
467.17233	2.7
469.15430	2.9
470.16400	1.3
477.15744	1.6
478.17038	3.8
479.17581	4.6
480.18277	4.8
481.14761	2.1
482.16034	1.9
483.16760	4.3
484.17166	2.2
492.18481	1.0
493.19135	10.8
494.15817	3.4
494.20776	1.2
495.16354	7.3
496.17426	2.6
498.15067	3.6
506.16055	1.1
507.16711	2.7
508.17426	7.7
509.18582	5.9
510.17758	0.8
511.20734	3.6
512.16870	8.6
513.17462	1.3
515.19922	0.8
516.23468	1.9
521.18335	14.7
522.16010	4.6
525.18115	1.1
526.15039	2.3
538.18304	1.2
539.19238	2.9
540.19312	2.9
543.22363	2.1
549.17743	2.2
553.20923	19.8
554.20752	1.3
571.21967	3.8
572.22455	3.7
581.20416	59.4
582.20679	2.0
585.23737	0.9
599.21344	17.5
600.21808	3.1
609.20294	1.6
613.23126	23.2
622.23138	4.0
627.20709	1.4
631.23737	4.1
641.22516	100.0
642.22876	5.2
659.23444	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01871	6.5
55.05522	10.3
57.03182	2.5
57.03439	25.0
57.65976	1.7
61.02932	74.3
65.03952	2.3
67.05510	38.2
69.03433	32.9
69.07087	9.6
69.40546	16.3
71.01370	2.9
71.04993	5.4
73.02921	24.1
77.94791	2.1
79.05494	22.9
81.03426	21.3
81.07063	34.9
83.04991	5.2
83.08648	2.7
85.02911	100.0
85.06491	1.9
85.08729	1.9
87.04466	3.5
91.03962	61.5
91.05492	14.5
93.07047	27.2
95.04966	4.7
95.08614	26.3
97.02275	4.3
97.02897	75.9
97.03519	3.7
97.06544	2.0
99.04472	12.6
101.02372	6.1
103.03965	7.3
105.07035	13.4
107.04919	2.3
107.08595	18.5
109.02877	13.6
109.06528	3.1
109.10161	14.1
111.04511	2.9
115.03961	6.5
117.05482	3.7
117.07008	2.6
119.08601	11.6
121.10151	16.9
122.09737	1.9
123.11674	3.7
127.03929	29.1
129.05486	6.4
131.08572	7.9
133.10130	7.0
135.11688	8.9
137.13274	3.7
143.08627	2.2
145.04976	27.3
145.10133	6.6
147.08061	2.4
147.11729	4.0
149.13300	6.5
155.08594	1.9
159.11702	7.9
161.13315	6.5
163.06046	3.9
163.14775	2.4
169.10135	2.7
171.11722	3.0
173.13284	4.2
183.06544	5.9
201.07617	3.5
221.15314	2.4
235.14580	2.1
241.19344	3.4
243.21042	5.7
261.22202	15.0
273.18719	1.8
335.25821	63.9
335.29840	3.7
351.23355	2.9
363.25262	3.4
387.25018	2.5
479.29953	6.3
659.35913	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	661.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
59.32069	0.5
67.05487	1.5
69.03440	0.5
70.84185	1.2
79.05487	1.2
80.79095	0.5
81.07046	1.4
83.04962	0.8
91.05479	1.4
92.06989	0.5
93.07037	0.8
95.04958	0.9
97.06538	1.8
105.07029	1.0
107.08575	0.6
108.62624	0.5
109.90852	0.5
119.04929	0.8
119.08594	1.0
121.10204	0.8
135.11734	0.5
147.04399	1.3
150.09177	0.5
167.25699	0.5
208.44170	0.5
211.13368	0.6
387.14716	0.8
390.18060	0.7
394.17682	1.4
401.16278	1.8
415.14139	1.5
416.14169	0.9
416.19052	1.3
417.16525	1.1
419.17834	1.0
420.15051	0.7
427.13840	0.7
428.14478	0.9
429.15457	8.1
430.16406	3.2
431.17184	4.9
441.16071	0.6
442.11932	0.9
442.17056	0.8
443.18085	2.4
444.18039	10.0
445.19263	2.5
447.16663	0.8
453.15280	0.7
454.16232	3.2
455.17447	4.2
456.18274	2.8
457.14441	17.1
458.14691	0.7
459.16833	1.1
461.18759	0.7
468.18271	1.1
469.18607	3.7
470.15475	0.9
471.16232	7.1
472.17459	27.3
473.18274	4.3
482.15961	1.0
483.16785	1.7
485.18414	1.1
486.14880	1.0
497.17880	2.6
498.18216	0.8
500.16833	2.5
501.17761	1.7
513.18182	0.8
515.19220	4.5
516.19897	1.8
517.20105	0.6
527.19452	1.2
530.21216	1.2
531.22485	10.8
543.22192	0.7
556.19556	1.4
559.21960	60.0
560.22205	3.6
562.11646	0.6
583.24896	1.0
587.21588	4.4
618.23486	1.1
619.24042	100.0
620.24207	4.3
629.22223	1.1
643.24823	1.5
661.24939	67.9
662.25317	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	661.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
57.03432	1.2
57.47994	1.0
61.40428	1.0
62.20839	1.1
67.05521	2.7
69.07081	1.3
71.55599	1.5
71.83483	1.0
71.91872	1.1
72.41784	1.0
79.05508	3.6
81.03429	2.4
81.07067	2.5
85.02884	1.7
91.05512	2.9
93.07068	2.0
95.08627	1.5
97.02898	1.1
97.06548	3.6
105.07051	2.4
107.08649	1.2
109.06573	1.2
119.04989	1.6
119.08578	1.7
131.08568	1.6
135.11769	1.4
147.04472	3.4
157.10214	1.0
163.03903	1.2
167.04413	1.2
177.05449	1.3
182.10754	1.1
193.12440	1.3
194.56154	1.1
221.08202	3.4
239.58919	1.0
299.00668	1.2
433.20593	1.2
443.24338	3.4
464.27060	1.6
499.26727	3.5
523.27979	1.3
559.22290	1.3
619.24158	2.1
661.32086	100.0
662.32819	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	662.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93312	0.6
57.07068	0.7
61.51979	0.6
72.54321	0.6
72.67342	0.5
74.96580	0.5
79.17856	0.6
87.04480	6.6
88.45935	0.7
91.05466	0.8
115.39426	0.7
199.69737	0.7
199.88445	0.6
209.10634	0.8
210.78836	0.7
237.14140	0.8
277.21445	0.8
300.14954	0.7
341.98843	0.8
375.16327	0.8
388.16995	0.7
389.17709	2.1
390.19107	0.9
401.17679	1.2
402.18152	0.7
403.15036	1.3
403.19354	2.5
404.19995	0.7
405.21429	1.0
415.19641	1.7
416.20367	1.3
417.16470	1.4
417.21649	3.3
418.17389	1.5
418.22272	1.3
419.18265	0.9
420.23322	0.8
429.16544	1.5
429.21677	1.2
430.22244	1.2
431.18008	4.5
432.19424	1.4
433.24414	6.9
443.18573	1.2
444.19275	5.9
445.20355	6.4
446.17508	5.0
446.22287	1.5
447.17728	7.6
448.18661	1.0
457.19809	0.9
458.20673	0.9
459.21863	49.1
460.22961	10.2
461.24112	5.8
470.17349	0.8
471.22415	0.8
473.23331	3.0
475.21353	21.0
476.22220	4.9
477.22897	2.4
485.23355	0.9
487.20157	0.8
487.24994	3.1
489.22797	2.0
491.24490	2.3
503.20911	1.2
503.24396	1.3
505.26120	2.1
507.23679	0.9
516.24768	0.9
517.24109	0.9
519.23779	10.6
521.25177	1.2
531.24115	4.0
533.21539	5.2
535.22943	6.0
545.25769	3.2
546.26239	2.4
547.27307	29.8
548.26532	0.9
561.21741	1.3
562.25555	1.7
563.26813	5.9
564.26611	0.9
574.25812	2.7
575.22717	0.9
576.23914	0.9
579.26855	0.7
589.27313	1.1
590.25641	1.9
591.26105	4.4
593.23798	7.4
594.24554	0.7
602.27606	1.5
605.27673	6.0
606.28424	100.0
607.28900	5.9
622.27899	80.7
623.28113	3.4
630.26801	3.7
662.29871	14.3
663.30737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40717	1.0
53.03932	3.7
55.01859	2.6
55.05303	1.0
55.05508	12.1
57.03192	1.3
57.03439	17.0
59.36886	1.0
61.02915	4.9
65.03913	1.2
66.47430	1.1
67.05505	39.7
69.03416	3.8
69.06734	1.2
69.07072	12.0
69.17583	12.0
70.06570	1.0
71.01335	3.3
71.04985	4.2
73.02892	1.3
79.05495	43.8
79.05962	2.3
81.03420	41.3
81.06587	1.6
81.07054	28.0
83.04987	16.9
83.08154	1.2
83.08617	16.7
85.02911	14.3
85.06539	2.5
88.50957	1.0
91.03976	1.6
91.05482	26.5
93.07043	43.6
95.04973	22.0
95.08614	8.3
97.02882	4.7
97.06532	16.5
97.10173	9.8
98.21541	2.3
99.04414	1.4
99.08081	2.2
105.07031	13.9
107.04926	3.6
107.08598	29.0
109.06502	2.9
109.10139	6.0
111.04469	2.1
111.08106	6.3
115.05468	1.6
117.06984	4.5
119.04912	2.3
119.07815	1.1
119.08586	16.5
121.06515	1.8
121.10136	10.4
123.08053	2.5
123.11625	1.3
125.09606	2.4
127.03941	1.4
129.07031	7.2
131.08527	7.9
133.06528	2.7
133.10123	8.6
135.10686	2.1
135.11693	39.6
135.12714	2.2
137.09598	2.0
142.07776	1.6
145.10112	8.8
147.04396	3.2
147.08023	2.5
147.11688	7.7
149.09598	4.1
149.71205	1.0
153.12743	1.8
157.10152	6.7
163.11154	7.1
165.12708	2.0
175.11218	8.5
181.12231	9.6
193.12236	27.5
211.13280	36.9
226.89957	1.1
255.15916	99.3
256.16486	1.2
267.15930	19.6
283.15292	1.5
285.16992	29.4
421.25900	1.8
432.17316	1.2
444.17841	1.4
447.27457	38.2
458.15109	1.7
465.28482	100.0
466.29047	2.7
541.62360	1.1
619.23242	2.5
620.22839	1.9
630.22150	2.6
662.24988	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	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64910	6.1
53.03952	9.9
55.05517	29.3
57.03431	22.1
57.07060	16.6
63.00637	5.1
67.05180	6.2
67.05512	90.7
69.07071	31.5
69.25389	5.3
69.25688	51.5
79.05504	78.1
81.03430	6.3
81.07067	100.0
83.04996	9.7
83.08598	12.4
83.26420	6.0
85.06578	6.2
87.04478	81.6
91.05058	5.1
91.05487	61.2
93.07056	90.5
95.04978	8.9
95.08624	69.8
97.06518	13.4
98.20609	6.0
105.07041	51.3
107.08596	42.1
109.10166	24.0
117.07011	17.8
119.08612	34.7
121.06586	9.2
121.10136	37.8
124.08716	8.7
125.09584	6.2
129.06987	9.4
131.08578	34.8
133.10146	34.6
135.11673	25.2
143.08519	8.0
144.34224	5.1
144.70853	5.7
145.10129	21.5
147.11636	13.5
149.09605	9.9
149.13268	20.8
150.91797	4.9
159.11694	17.6
161.13258	9.8
161.49020	6.0
163.14883	5.8
171.11635	6.7
173.13257	9.1
175.14832	6.6
183.11783	8.3
187.14735	6.6
269.17462	12.7
275.20120	16.3
277.21487	16.7
335.25848	54.4
349.23792	10.7
351.25339	20.7
459.21829	29.4
460.22806	8.4
475.21017	9.0
515.37390	9.5
529.38922	28.1
546.25653	6.0
547.26953	20.8
569.42297	8.8
606.28448	56.7
607.28802	14.5
609.44781	7.6
622.27844	39.8
662.29065	15.4
662.46564	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.8
55.01873	5.7
55.05516	38.3
57.03442	15.0
57.07067	8.1
63.64054	2.8
65.03934	7.3
66.48208	2.8
67.05508	100.0
67.28295	2.4
69.03433	4.4
69.07075	34.4
71.04992	5.3
71.08608	3.1
71.55196	4.2
71.55606	4.8
76.14115	3.2
79.05495	79.1
81.03409	4.6
81.07060	86.4
82.07385	2.9
83.04966	9.0
83.08625	20.0
87.04473	39.9
89.67319	2.5
91.05485	52.0
93.07054	76.4
95.04955	9.5
95.08617	56.1
97.06550	9.3
97.10189	21.1
105.07043	48.5
107.04933	3.7
107.08607	48.5
109.06518	8.0
109.10172	29.4
111.08087	4.1
117.07024	17.6
119.08586	34.6
121.06512	4.6
121.10158	30.3
123.08064	6.4
123.11703	9.5
125.09641	12.2
125.34789	2.6
129.07024	5.0
131.08568	25.6
133.10136	23.8
135.08054	7.2
135.11688	18.4
137.09550	2.6
143.08568	6.7
145.10147	21.2
147.11696	24.1
149.09583	8.8
149.13257	7.4
151.11226	3.5
155.08592	3.0
157.10104	3.8
159.11729	13.6
161.13268	7.8
163.11163	7.2
163.14864	3.7
165.09090	3.0
171.11662	6.3
173.13260	10.0
177.12782	3.7
183.11760	5.1
185.13335	4.7
187.14635	3.2
189.11246	5.1
195.00244	3.2
197.13167	3.7
203.14352	2.9
219.17484	3.0
227.12785	18.5
257.18909	8.5
259.20572	3.6
261.22079	6.3
267.16003	5.3
269.17456	3.3
275.20105	33.4
277.21619	5.0
308.29477	2.8
313.27383	5.5
335.25809	64.8
336.26526	3.4
349.23627	27.3
385.16077	4.1
489.35703	10.4
490.35120	4.4
505.34909	4.0
515.37311	4.0
529.39056	3.9
546.41644	3.4
569.41809	7.7
609.44940	21.1
662.35327	3.9
662.46606	25.4
663.48297	7.6
675.17609	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	663.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75897	0.8
63.62984	0.7
69.77908	3.5
73.35255	0.9
127.05120	0.8
143.05019	0.7
176.28683	0.9
191.98251	25.8
205.96187	23.0
245.19432	0.9
259.02505	1.9
277.03546	4.8
277.77951	0.8
300.57498	0.9
303.01337	3.5
308.78143	0.8
321.02512	100.0
322.02432	1.0
339.02707	5.0
350.11371	0.8
358.98123	1.9
367.31470	0.7
374.48364	0.9
381.03696	1.5
381.07983	2.5
663.12341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35956	0.4
53.03933	0.6
55.05514	7.1
57.03442	12.9
57.07080	24.3
59.05001	3.8
61.02934	5.1
65.03921	1.0
65.32696	0.5
67.05510	64.2
67.58420	0.4
67.66919	0.4
69.03399	1.3
69.07072	6.5
69.23503	2.3
69.23931	2.6
71.04984	1.5
71.08638	18.2
73.02901	1.7
79.05492	1.3
81.07064	16.7
83.08623	10.4
85.02902	4.1
85.06536	1.8
85.09721	0.6
85.10192	10.2
87.04435	0.6
88.22202	0.5
89.06033	1.3
91.03947	1.6
91.05471	4.3
93.07051	3.3
95.08616	16.5
97.02876	2.3
97.10181	3.2
103.07593	0.8
105.07005	0.8
107.08569	1.7
109.10163	65.3
110.10446	0.7
111.08105	2.7
111.11713	0.7
119.08590	4.6
123.11703	2.4
135.11729	0.6
137.09636	3.4
137.13211	0.7
155.10655	4.8
165.30272	0.5
173.11758	18.2
176.40038	0.5
229.14365	100.0
230.14810	1.0
239.23663	1.8
257.24719	2.0
279.63101	0.5
290.19211	0.5
313.27386	84.9
314.27768	1.2
467.37384	62.6
468.37625	0.7
561.37366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01875	3.6
55.05516	29.4
57.03437	13.4
57.07068	11.8
60.74385	2.3
64.90830	3.4
65.03954	3.4
67.05514	92.6
69.07080	29.8
71.05002	3.4
71.08643	4.1
71.10722	5.9
76.47088	3.1
79.05505	40.5
81.03410	4.1
81.07064	100.0
83.04999	5.0
83.08627	14.3
85.06535	3.8
91.05487	47.1
93.07059	58.2
93.07641	5.8
95.04983	10.4
95.08617	58.3
97.06535	10.2
97.10152	6.8
105.07040	33.5
107.05033	3.2
107.08610	28.8
109.06536	5.9
109.10170	27.5
111.08129	7.9
117.07020	12.3
119.08600	22.5
121.10155	14.2
123.08081	2.9
123.11730	7.8
125.09578	5.1
129.07097	2.6
131.08615	14.0
133.10158	17.1
135.11678	13.9
143.08578	3.2
145.10124	12.0
147.11720	14.6
147.87743	2.6
149.09673	5.3
149.13246	6.5
157.10164	5.8
159.11739	13.1
161.13246	3.9
163.14848	3.3
173.13391	5.2
175.14835	4.5
199.14848	3.6
229.14285	5.9
255.15968	4.5
257.19000	7.7
269.17465	5.7
275.20090	18.4
327.07770	4.3
337.27429	61.6
349.23798	9.3
351.25443	4.0
491.37527	6.3
517.38568	9.2
531.40527	47.5
552.33179	7.0
571.43274	7.8
611.46454	10.5
664.44318	5.6
665.44110	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	664.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01864	5.2
55.05519	22.5
57.03435	9.3
57.07070	7.9
59.04994	2.4
64.03892	2.3
64.16370	2.6
65.03956	4.6
67.05511	79.6
69.07066	22.3
70.08846	2.1
70.67464	2.7
70.67780	5.3
71.04998	5.1
71.08637	4.0
79.05499	68.9
79.14439	2.3
81.03403	3.3
81.07066	75.7
83.04974	10.7
83.08614	11.1
91.04984	2.5
91.05492	39.6
93.07053	68.5
95.04977	8.2
95.08617	50.8
97.06509	5.5
98.43056	2.1
99.08067	5.2
102.84190	2.1
105.04508	3.1
105.07050	23.6
107.08600	27.6
109.06514	6.1
109.10158	20.0
111.08093	4.7
117.07028	10.5
119.08601	16.9
121.10152	23.1
123.11739	5.7
131.08565	14.4
133.10129	13.0
135.11751	12.8
137.09674	2.2
139.11215	2.9
145.10132	10.1
146.39835	2.5
147.11700	11.3
149.13240	13.8
151.11230	2.7
159.11707	11.3
161.13217	7.2
163.14877	2.6
173.13252	3.3
175.14824	3.7
180.34908	2.3
187.14879	2.6
195.13794	4.1
226.99744	2.5
227.12935	3.8
259.20456	3.1
261.22241	4.1
269.17480	9.7
277.21591	8.5
335.25845	43.0
351.25266	6.8
489.35684	12.0
529.38971	100.0
552.32831	3.8
611.46191	9.6
664.48273	3.4
665.44623	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	664.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84931	2.4
53.03950	6.2
55.05515	37.7
57.03438	20.7
57.07070	12.5
65.03946	3.0
67.05507	100.0
67.65238	2.8
69.07072	26.0
71.04964	4.0
71.08627	18.7
71.38982	3.8
71.39354	3.2
72.96110	2.5
73.54793	2.5
79.05061	5.1
79.05498	65.5
81.03440	4.2
81.06586	4.8
81.07061	97.8
83.04980	5.5
83.08614	15.7
83.74669	3.0
85.06578	2.7
85.10168	4.1
91.05480	50.3
92.05790	2.6
93.07050	60.0
95.04982	7.5
95.08612	68.9
97.06523	7.9
97.10181	7.0
99.08115	15.8
105.07038	43.8
107.08604	38.6
109.06521	6.4
109.09477	3.5
109.10165	32.4
111.08086	3.6
117.07021	11.1
119.08589	30.4
121.10137	24.6
123.08080	5.3
123.11710	7.7
125.09681	6.4
128.06084	2.6
129.07027	3.2
131.08568	18.8
133.10115	22.2
135.08005	2.8
135.11682	19.7
137.13310	4.4
139.89958	2.7
141.06969	3.1
143.08572	4.2
145.10100	12.9
147.11708	25.9
149.13249	9.7
151.11148	3.0
151.14702	3.6
155.10710	3.3
156.24474	2.5
159.11731	12.3
160.66479	2.4
161.13254	11.6
163.14806	5.0
165.12733	5.9
171.11656	3.8
173.11777	2.8
173.13271	5.7
175.14865	6.1
179.14310	3.3
185.13185	3.8
187.14792	3.5
211.01096	2.6
219.17444	5.1
227.12787	10.8
229.14340	7.2
243.21112	3.3
257.19009	4.1
259.20660	8.3
261.22180	5.7
263.23746	3.8
275.20105	13.7
277.21646	8.3
279.23157	6.5
299.77438	2.7
327.07794	4.7
333.24133	5.1
335.25803	8.5
337.27402	21.5
349.23795	7.3
351.25296	10.3
353.26932	14.8
383.14371	2.6
398.16870	3.2
440.20688	4.6
491.37204	11.6
496.26920	2.9
529.39099	12.4
551.32440	3.1
552.32959	7.5
611.46234	8.4
629.47577	4.5
664.46881	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	665.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
55.72753	0.6
65.25634	0.6
67.05511	1.7
69.07069	0.7
71.04996	1.6
71.55674	0.6
71.56126	0.7
79.05497	1.2
81.03449	0.7
81.07059	1.3
83.08624	0.6
91.05469	0.7
95.04964	0.5
95.08630	1.0
105.07039	1.0
107.08586	0.8
109.10165	0.9
121.10204	0.7
142.07845	0.8
157.10153	0.7
172.48459	0.7
177.12991	0.6
199.04694	0.6
307.16052	0.7
388.06067	0.7
665.22266	100.0
666.22687	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	666.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01870	2.4
55.05266	1.4
55.05516	22.9
57.03453	6.7
57.07086	5.1
65.03933	3.6
67.05510	86.3
69.03439	1.6
69.07070	25.4
71.04982	2.9
71.08341	0.9
71.08640	9.8
77.03931	1.4
79.05498	36.2
81.03432	2.2
81.07063	87.0
83.04991	9.9
83.08624	16.9
85.06524	3.2
91.05486	29.1
93.07052	43.9
93.72531	0.8
93.97880	0.8
95.04971	7.1
95.08614	50.2
97.06541	8.2
97.10175	7.3
99.04447	1.0
99.08105	9.0
105.04473	1.2
105.07043	18.8
107.08596	21.7
109.06522	3.2
109.09469	1.2
109.10165	18.0
111.08064	3.9
113.09666	2.8
117.07015	8.9
119.08579	12.2
121.06526	1.5
121.10151	15.4
123.08106	1.6
123.11698	6.0
125.09611	2.0
129.06979	2.5
129.87610	0.9
131.08580	7.6
133.10132	13.4
135.08070	2.2
135.11711	8.2
137.13254	2.7
139.11205	1.2
141.12753	0.9
143.08546	1.3
145.10130	4.9
147.11720	9.2
149.13271	11.6
151.11157	6.8
151.12216	1.1
153.12671	1.6
157.10155	1.6
159.11700	6.3
161.13251	4.9
163.11172	3.0
163.14818	2.9
165.12730	1.4
171.11673	1.1
173.13251	1.3
175.14821	3.0
177.12747	3.3
179.14349	2.1
185.13246	1.4
189.16374	1.1
195.13849	5.5
203.35130	1.0
215.17932	1.0
227.12851	2.0
229.02542	1.0
229.14265	2.0
240.91968	0.9
243.21024	1.1
245.22629	1.5
246.95340	1.0
251.16545	1.6
259.20676	2.2
261.22037	1.4
263.23712	3.7
269.17493	15.5
277.21625	7.3
279.23148	1.9
290.82379	1.1
294.31201	1.0
325.29050	1.1
329.08319	1.3
335.25842	1.6
337.27393	39.9
351.25369	10.2
353.26825	3.6
491.37277	8.8
531.40485	100.0
532.40680	2.9
553.33521	1.7
554.33240	1.8
567.91016	1.0
610.39825	1.8
613.48206	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	667.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	3.7
69.03447	2.3
81.07081	2.0
81.38780	1.6
84.93255	1.5
87.30473	1.4
95.04990	2.4
112.07616	3.9
140.07083	3.3
249.10355	2.0
276.67642	1.4
341.15805	1.5
374.15634	1.8
380.14407	2.3
388.17029	1.7
389.17908	4.3
390.18686	5.5
391.19205	8.1
403.19608	2.4
405.20892	10.0
406.21634	3.2
417.17047	1.9
418.21973	2.3
419.22812	6.9
428.16324	2.3
433.20242	4.9
435.18240	4.3
438.60889	1.8
445.20261	2.0
447.21805	5.3
449.19836	4.7
450.20105	3.4
457.16599	2.1
459.18036	2.4
461.19659	5.4
462.24387	2.2
463.21381	5.4
464.22086	2.2
465.23148	10.2
473.19852	4.7
474.19888	1.9
479.20975	4.8
487.21320	4.8
488.17932	2.4
489.18802	2.3
491.20853	2.6
493.22235	36.6
501.19348	7.3
505.19171	5.1
515.21124	10.8
516.21729	4.0
519.24854	3.4
521.25555	11.7
533.21704	7.6
537.25482	3.8
547.23523	7.3
551.27075	13.1
552.27582	2.5
561.21466	3.1
565.24475	25.9
575.22711	11.0
579.26184	20.3
580.26837	100.0
581.27069	5.4
589.24603	3.1
607.25555	65.0
608.25897	2.9
635.25104	39.1
636.25916	3.4
639.28198	8.7
649.26715	12.5
667.27698	85.3
668.28436	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	667.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26450	1.1
55.12569	1.3
56.60922	1.4
60.50042	1.3
62.32103	1.2
67.05502	2.1
68.64832	1.1
69.07088	1.6
69.17648	13.8
95.08620	2.0
109.10104	1.5
235.12509	1.4
253.09692	1.2
256.17084	1.5
363.01056	1.4
364.17068	1.8
375.15906	1.7
376.17020	2.0
377.17725	6.8
378.18365	2.0
391.19196	9.0
392.19962	6.4
403.19257	1.6
405.21359	6.6
406.21265	1.8
407.22498	8.7
414.14703	1.9
419.18576	5.6
420.19254	3.0
421.16254	2.5
431.18555	2.3
433.19830	3.1
434.20963	5.4
435.21912	9.1
436.18814	1.6
444.16238	1.6
445.20728	1.7
447.17709	2.0
449.19827	2.0
451.21085	8.1
459.18307	5.1
461.19254	3.7
465.22647	4.5
466.20096	2.2
473.20047	3.0
474.20026	3.6
477.19046	1.4
479.20831	30.1
489.22464	5.2
493.22217	6.4
494.23096	2.6
501.19116	4.7
502.19855	4.3
505.18399	7.6
515.20770	4.7
517.22430	79.5
521.25305	4.5
547.23334	1.7
549.25037	71.0
550.25275	2.1
565.24402	3.1
575.22766	8.1
593.24048	17.6
607.25403	9.5
608.26270	14.1
617.24091	1.7
635.25067	100.0
636.25269	3.6
667.27350	44.8
668.27301	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	667.3308
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03948	1.0
55.01884	0.4
55.05508	1.8
57.03434	2.2
61.02936	3.5
62.22684	0.4
67.05514	4.8
69.03434	3.4
69.07070	1.1
71.01339	0.6
71.05003	0.8
71.54970	0.6
73.02907	2.2
78.31470	0.3
79.05513	3.7
81.03420	4.2
81.07053	4.2
83.04980	1.6
83.08603	0.9
84.14986	0.4
85.02910	5.6
91.03959	3.0
91.05473	3.7
93.07059	4.2
95.04987	2.0
95.08605	0.9
97.02905	3.7
97.06551	1.4
97.10172	0.5
98.82113	0.4
99.04463	0.9
101.02393	1.3
103.03938	0.5
105.07051	2.0
107.04959	0.6
107.08603	2.8
109.02882	1.4
109.10164	1.0
111.04448	0.4
111.08088	0.5
115.03961	0.5
117.07053	0.7
119.08582	1.9
121.06534	0.4
121.10178	1.0
123.08157	0.4
125.09629	0.5
127.03954	1.6
129.06985	1.2
131.08585	1.2
133.10155	0.7
135.11711	3.7
138.14940	0.4
143.08618	0.4
145.02925	0.7
145.10139	1.1
147.04453	1.3
147.11705	0.7
149.09680	0.5
157.10156	1.0
161.09645	0.4
163.11269	1.3
175.11185	0.6
175.55141	0.4
177.05461	0.5
181.12233	0.9
185.04459	0.6
191.10646	0.4
193.12257	0.9
213.00453	0.4
221.11580	0.8
243.08377	2.3
251.12593	0.9
255.15976	0.5
277.14221	0.9
439.19440	8.5
469.20566	5.7
667.33044	100.0
668.33429	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	668.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01860	0.9
55.05516	5.3
57.03193	0.9
57.03442	11.6
57.07072	1.0
59.04988	3.0
61.02924	1.6
64.72919	0.6
65.03930	1.3
67.05510	60.8
69.03424	2.7
69.07065	2.1
69.60334	4.6
71.04980	3.0
79.05500	6.8
79.66169	0.8
81.03423	48.3
81.07063	12.7
81.13136	0.7
83.04982	2.9
83.08628	11.2
85.02905	1.9
85.06528	2.0
87.04424	0.8
89.03927	0.7
91.05478	13.5
93.07055	6.8
95.04981	14.2
95.08604	5.2
97.02886	1.9
97.06522	1.2
97.10167	1.6
98.21509	0.9
98.83478	0.6
105.07034	6.5
107.04961	2.8
107.08610	3.6
109.06505	2.4
109.10163	63.0
111.04405	1.3
111.08097	5.9
119.04980	1.3
119.08600	11.8
121.06487	2.5
121.10159	3.1
123.04411	0.8
123.08057	1.2
125.09614	1.3
129.07013	4.7
131.08557	5.3
133.06509	1.6
133.10104	1.9
137.09592	4.8
142.07805	1.4
145.10147	1.2
147.04401	1.5
147.08087	2.2
147.11687	4.5
149.09618	2.6
155.10693	5.4
157.10117	6.5
165.12900	1.1
171.11624	0.8
173.11748	14.7
175.11194	5.8
193.12257	16.5
211.13344	2.2
223.13278	1.0
229.14371	90.6
230.14700	1.3
249.14879	1.1
267.15930	79.5
268.16327	1.0
273.15057	0.9
301.14343	0.8
329.21228	2.9
347.22150	1.3
388.03802	0.8
403.24814	10.7
421.25888	100.0
422.26230	3.0
463.26907	1.7
529.27936	1.1
556.57336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2919
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
57.07044	1.7
67.05499	3.4
69.03421	2.1
71.54962	2.6
81.07056	2.6
81.65372	1.5
83.08553	1.5
91.05437	1.7
93.07034	1.8
95.04977	1.5
97.06505	1.8
97.10129	1.8
105.06960	1.5
119.08541	1.8
159.09140	2.3
174.05547	2.8
192.06540	3.3
202.04987	11.2
221.10764	2.2
233.45634	1.3
234.07706	11.7
235.12286	2.2
274.13440	3.3
286.13431	4.5
300.14981	3.4
302.16501	5.7
314.12970	2.2
314.16400	1.9
316.18011	1.9
328.14307	3.3
330.16000	2.8
372.47913	1.7
401.17560	4.1
402.18201	6.5
403.19202	2.6
415.19067	3.8
416.19705	4.5
417.20709	3.7
429.21210	2.0
430.21918	6.5
431.22684	2.5
435.22058	1.7
445.20444	2.4
459.21631	2.4
471.17657	1.7
473.19543	2.0
486.20303	1.5
487.21317	3.8
489.19046	5.4
491.20422	6.7
496.40649	1.9
501.23196	6.7
505.21933	1.8
507.20154	9.4
517.22101	2.7
519.24036	2.0
521.21942	8.2
533.25421	2.5
535.23230	4.0
559.23328	7.9
561.25055	9.4
563.22803	10.5
564.23853	7.7
576.23242	2.3
577.24377	3.4
579.22418	1.7
587.22540	1.6
591.25891	3.3
594.24194	1.7
605.24152	7.1
619.25525	39.9
620.26324	7.2
622.23969	4.6
637.26599	59.8
638.26477	2.8
651.28168	100.0
652.28503	3.5
669.28912	3.7
669.44366	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	669.2919
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.05505	1.1
55.79119	0.4
56.60822	0.4
57.07067	0.6
59.67345	0.4
66.48320	0.4
67.05492	1.5
68.05854	0.5
69.03404	0.4
79.05489	1.5
81.03442	0.8
81.07060	1.4
83.04969	0.9
87.50751	0.4
91.05476	0.7
93.07036	0.7
95.04987	0.6
95.08611	0.9
101.28702	0.4
105.07033	1.1
109.10177	0.8
133.10255	0.4
135.08142	0.4
225.82619	0.5
249.10344	0.5
262.58484	0.4
377.17526	1.0
379.19299	1.0
390.18387	0.6
391.19193	1.3
393.21024	1.2
404.20004	0.5
405.17020	1.8
405.21155	1.0
406.17786	1.3
407.22623	4.3
418.18079	1.6
419.18103	3.7
420.19403	2.0
421.20331	3.4
422.21521	0.7
423.21936	0.6
432.19189	0.6
433.20413	12.3
434.21341	4.8
435.22153	6.1
436.22778	1.5
446.21219	0.7
447.22159	1.6
449.19583	5.3
461.19702	1.4
462.20712	1.6
463.21283	3.7
464.21988	0.9
475.21457	0.8
477.23035	0.8
493.22137	1.7
495.23926	1.5
505.22543	1.3
507.24411	1.1
509.22205	1.5
520.24762	0.8
521.25946	7.2
522.22504	3.4
523.23474	3.6
535.23328	1.7
549.25220	4.3
550.26154	0.5
554.25262	0.5
565.24561	0.6
567.23041	1.4
579.26184	0.7
580.26740	1.5
581.27161	2.2
591.26013	0.8
609.27057	14.7
610.27191	1.0
637.26312	1.3
651.28302	0.9
669.29224	100.0
670.29626	2.6
686.76135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2922
Annotation	Agrimol G
Peak:m/z	Relative Intensity
54.56203	0.4
55.05516	0.7
56.07887	0.4
58.28514	0.4
62.96413	0.4
67.05500	1.3
69.21700	1.1
69.22107	3.6
79.05511	0.9
81.03441	0.6
81.07055	1.2
83.08617	0.5
84.63216	0.4
86.06075	0.7
91.05491	1.0
93.07040	1.0
95.05000	0.6
95.08621	1.2
98.06040	0.8
98.21487	1.2
104.07123	0.7
105.07047	0.6
142.23433	0.4
213.05370	0.6
377.17865	1.0
378.18283	0.6
391.15094	0.7
391.19601	1.0
393.20810	3.1
403.07205	0.6
404.15906	0.6
405.16650	2.3
405.21701	1.0
406.17642	0.8
407.18469	0.9
418.17633	1.1
419.18497	3.7
420.19650	3.1
421.20300	5.3
430.16913	0.5
432.20016	0.6
433.20886	2.6
434.16583	0.7
434.21844	0.8
445.20810	0.9
447.17294	2.9
448.18808	3.6
449.19785	5.0
461.19998	2.6
462.20526	1.6
463.16833	1.0
463.22095	1.3
473.19730	1.1
475.21359	1.6
476.18692	1.9
477.18579	2.3
479.20474	0.6
489.19473	1.9
490.20569	0.7
491.20798	1.1
494.23508	0.8
503.20950	1.2
507.24048	4.7
519.23907	0.7
523.23438	0.7
531.24396	0.7
535.23346	10.3
535.30835	0.9
536.23883	0.9
549.25122	3.6
554.94360	0.5
559.23669	1.2
563.14227	1.1
563.22913	17.2
564.23370	0.6
577.24207	4.1
578.25580	0.8
579.26276	0.9
581.27112	2.4
595.25580	3.7
609.26929	6.2
619.25916	0.8
623.25024	5.4
624.43970	0.5
637.26636	2.8
641.29657	1.9
651.46722	1.6
669.29230	100.0
670.29871	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	669.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05517	0.9
55.23428	0.3
57.03440	1.4
57.07082	2.4
59.05003	0.5
61.02935	4.7
67.05513	6.8
69.03440	2.6
69.07076	0.5
69.78242	0.3
71.04964	0.4
71.08640	1.3
71.28912	0.6
73.02927	3.1
73.91276	0.3
79.05515	0.4
81.03417	1.7
81.07053	2.8
83.08645	1.0
84.84898	0.3
85.02913	5.2
85.10178	1.2
87.04488	0.5
91.03954	2.5
91.04356	0.3
91.05514	0.5
93.07073	0.5
95.08612	2.4
97.02895	4.2
97.10161	0.5
99.04454	0.7
101.02402	1.6
109.02912	0.9
109.10168	6.6
119.08594	0.8
121.31171	0.3
123.11710	0.4
127.03909	1.5
127.13933	0.3
137.85851	0.3
173.11772	2.2
185.04254	0.5
195.10023	1.1
203.05302	0.4
229.14444	1.1
243.08409	1.9
251.12650	0.3
313.27356	0.8
327.86755	0.3
413.17902	9.9
415.26263	0.3
497.30841	5.1
499.19421	0.3
657.84125	0.4
669.41882	100.0
670.42438	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	671.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88921	2.0
62.86708	2.0
67.05508	4.7
69.07075	2.6
69.18443	5.2
69.18853	18.5
70.20616	2.4
70.21046	2.0
79.05514	4.7
79.32104	2.7
80.43195	2.1
81.03409	3.7
81.07059	5.2
93.07050	4.9
95.04966	4.1
105.07036	5.1
109.10121	3.0
131.08617	2.9
151.11447	2.4
158.17924	2.3
237.10280	5.3
243.11319	6.9
261.10229	2.9
263.11743	3.1
291.11325	2.6
302.13016	3.5
303.01483	2.2
321.15930	4.1
333.14774	5.6
337.15573	2.5
353.97958	2.2
379.15384	3.8
394.18155	3.3
395.18451	3.3
407.18512	6.4
419.18515	3.1
421.20615	4.2
435.17719	3.0
437.19806	14.5
447.17731	3.6
449.19720	9.3
450.20355	6.3
451.21533	5.1
463.21475	8.1
464.22122	4.1
468.18185	4.5
475.21545	11.1
491.20795	10.9
492.21487	3.8
493.22595	3.7
505.22696	3.4
507.19901	7.1
509.21930	8.2
519.19928	3.8
522.22662	23.7
523.23511	17.1
524.24237	22.8
525.24951	9.0
533.21576	3.6
540.27142	5.4
551.22882	36.5
552.23352	6.4
567.26276	7.5
579.22443	3.1
584.26263	4.1
593.27167	6.3
595.26453	6.0
597.23792	3.2
599.28235	3.2
609.27045	7.0
611.25067	100.0
612.25494	7.2
621.24152	4.6
627.28217	26.2
639.24561	77.4
640.24451	3.6
671.31012	27.8
671.41113	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	671.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94636	0.9
55.05513	1.0
57.03425	1.1
59.86063	0.9
66.33376	1.0
67.05518	2.0
71.55611	1.6
79.05514	1.2
81.07077	1.0
83.08672	1.0
85.02123	1.0
93.07063	1.2
95.08633	1.9
109.10159	1.8
110.10535	1.0
126.86878	0.9
128.18997	0.9
270.55316	1.0
277.54398	1.1
379.19376	3.2
391.19360	1.8
392.20093	2.9
393.20901	5.2
405.20981	3.2
406.21701	3.1
407.22641	5.4
419.22488	2.8
420.23755	2.0
421.24207	6.7
423.21765	11.9
433.24387	2.3
434.25162	1.7
435.22150	1.4
436.22925	2.7
437.23526	10.6
438.24185	1.3
451.20969	4.9
451.25351	7.7
463.21094	4.5
464.21619	1.1
465.22815	16.5
473.27692	1.4
475.20984	1.7
475.25925	1.2
477.22852	1.2
479.24625	2.6
491.24881	1.2
503.24756	2.0
507.27802	2.2
509.29547	4.7
519.23987	1.5
521.28442	1.2
523.27441	2.1
535.27484	3.6
538.27319	1.1
539.30457	1.6
549.28857	1.5
551.26605	4.5
552.27454	1.5
553.28357	2.0
566.28992	1.8
567.29736	9.2
611.28674	8.3
622.28290	1.2
653.29266	4.4
670.42993	2.2
671.31006	100.0
671.42523	14.0
672.31140	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	671.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.4
55.01864	14.4
55.05519	39.8
56.96550	3.8
57.03433	12.9
59.04989	4.5
61.02946	3.8
65.03938	4.9
66.79158	3.5
67.05517	61.2
69.03426	13.2
69.07059	17.5
70.59757	9.5
71.01314	5.5
71.04987	12.9
72.68623	3.8
73.02905	3.7
79.05494	52.9
81.03424	98.5
81.07069	52.8
83.05003	22.6
83.08633	30.5
85.02896	13.3
91.05496	47.2
93.07060	42.5
95.04974	31.7
95.08621	19.2
97.02907	21.4
97.06515	14.8
97.10172	32.1
99.04443	7.7
103.05473	4.0
105.07040	30.1
107.04964	24.0
107.08581	27.6
109.02888	8.7
109.06500	14.7
109.10178	24.7
111.04433	10.3
111.08084	10.1
113.28516	3.7
115.88548	3.1
117.07014	14.8
119.08613	24.5
121.06527	19.4
121.10145	16.1
123.04398	5.6
123.08100	9.7
125.06051	4.8
125.09633	27.2
127.03908	9.5
129.05487	7.8
129.07008	21.8
131.08585	27.6
133.06461	9.0
133.10118	12.7
135.08051	15.9
135.11664	8.0
137.09680	4.1
142.83148	3.5
143.08522	5.9
145.06485	10.4
145.10120	14.9
147.04442	9.3
147.08069	8.0
147.11670	13.9
149.05972	3.8
149.09625	14.1
153.01782	4.3
153.09161	4.9
157.06516	3.8
157.10126	11.3
159.11588	4.0
163.03889	9.3
163.11174	11.0
165.12790	6.8
171.08041	4.9
171.11661	7.9
173.04378	3.9
173.09634	6.2
175.11232	11.1
181.12263	5.5
185.09676	4.9
189.11261	13.5
193.12233	26.0
211.13280	24.7
215.14320	5.4
223.13194	5.5
227.12682	20.4
229.14354	13.3
233.15372	15.2
249.14824	5.1
267.09216	10.0
267.16006	33.2
273.14865	12.1
283.15384	5.1
285.10049	10.5
349.21701	11.1
357.24045	7.4
367.22690	29.0
385.23779	36.4
403.24866	15.9
423.14465	6.5
429.20520	4.5
437.25333	6.0
441.26355	5.1
459.21213	5.9
459.27444	100.0
477.28555	98.1
485.16843	4.4
491.30396	22.8
509.30823	15.1
621.32690	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	671.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75018	3.4
50.85521	3.2
53.03939	12.5
55.01862	13.1
55.05513	47.2
55.25288	3.4
57.03428	11.3
65.03936	11.0
67.05169	7.0
67.05509	100.0
69.03427	12.5
69.07084	24.2
71.55497	4.1
79.05501	80.1
81.03424	72.9
81.07061	77.2
83.04974	14.8
83.08627	19.9
85.02860	4.8
85.06552	5.1
90.79082	3.4
91.04961	6.9
91.05482	71.9
93.07053	66.3
95.01329	5.3
95.04978	84.3
95.08603	49.4
97.02876	10.3
97.06487	6.2
97.10171	21.4
103.05471	9.1
105.03391	4.7
105.04536	6.5
105.07035	68.3
107.04972	21.2
107.08604	43.0
109.02869	7.7
109.06522	10.9
109.10160	35.6
111.04442	14.5
115.05451	13.2
117.07029	30.3
119.04970	5.6
119.08574	35.3
121.02860	8.2
121.06501	14.7
121.10192	20.7
123.04429	10.6
123.08053	7.7
123.11691	6.8
125.09644	16.4
127.03929	5.5
128.06226	9.7
129.06992	20.3
131.04919	11.3
131.08592	35.4
133.06461	12.2
133.10149	18.7
135.08075	13.0
135.11684	14.5
137.05965	7.6
137.96840	3.9
141.07013	10.3
143.08540	15.0
145.06491	14.1
145.10120	29.5
147.04395	14.4
147.08025	12.0
147.11754	18.0
149.05898	7.6
149.09624	8.6
155.08548	9.5
157.06482	6.7
157.10110	12.5
159.08095	8.9
159.11684	18.9
161.05951	16.3
161.09595	11.0
161.13231	6.6
163.11150	23.7
165.07025	4.5
167.08517	6.0
169.10101	10.2
171.08000	6.8
171.11713	9.4
173.06013	12.6
173.09686	9.5
173.11792	4.8
173.13182	6.0
174.06770	5.1
175.07565	7.8
179.08604	5.0
181.10152	5.7
183.08073	5.6
183.11775	5.6
185.13271	9.0
187.07617	7.0
187.11133	7.5
189.05437	12.3
189.11143	5.1
193.10161	8.3
193.12053	4.7
197.09531	5.4
197.13152	5.3
201.12677	4.7
205.12250	8.5
209.09735	4.3
209.13242	7.8
214.31602	4.4
223.13170	6.5
227.12724	8.5
259.13120	4.5
259.20544	7.9
261.22012	4.6
272.74106	4.4
273.14838	34.2
283.13351	7.3
285.14868	5.6
301.14328	37.3
303.15845	16.7
313.27783	4.6
316.13101	3.6
319.15378	16.4
333.24167	8.3
335.25900	29.3
337.21924	4.1
347.18680	4.1
375.17987	10.6
377.19644	5.8
383.24466	6.7
393.18967	6.1
446.62259	4.5
543.34106	5.4
561.35809	8.1
607.25574	7.3
623.39075	10.3
635.39539	47.1
639.27869	17.1
653.40448	18.1
671.30261	11.1
671.41559	64.8
684.96893	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	671.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	3.6
53.03945	14.4
55.01861	13.0
55.05523	36.8
57.03440	10.2
59.26866	3.3
65.03942	8.9
67.05171	7.1
67.05510	100.0
69.03424	15.4
69.07082	18.7
71.01397	2.9
71.04984	8.4
71.56068	4.0
79.05507	89.6
81.02979	4.9
81.03431	69.3
81.07070	84.1
81.62434	3.0
82.53613	2.9
83.04977	10.7
83.08635	17.0
85.06517	4.4
89.06069	3.9
91.04971	6.1
91.05501	73.8
93.07059	75.5
95.04984	92.5
95.08614	58.2
97.02892	9.8
97.06516	8.3
97.10175	15.3
99.04491	4.7
103.05489	5.4
105.07048	63.4
107.04966	22.2
107.08602	40.3
109.02898	5.4
109.06513	10.1
109.10165	27.3
111.04446	11.5
115.05482	13.2
117.07027	39.8
119.04968	8.2
119.08604	40.5
121.02883	11.1
121.06532	17.7
121.10165	25.4
123.04459	8.8
123.08094	10.9
123.11745	7.4
125.09634	15.5
128.06235	8.3
129.07059	23.5
131.04948	13.0
131.08575	35.2
133.06508	10.2
133.10167	28.9
135.08026	11.2
135.11722	18.1
137.02399	4.3
137.06010	7.9
139.03850	4.0
141.06998	7.4
143.08578	15.2
145.06508	24.4
145.10124	30.6
147.04437	18.2
147.08064	14.3
147.11708	11.5
149.05992	9.9
149.09663	7.6
149.13237	6.1
151.11191	6.0
155.08553	9.4
156.09473	4.0
157.05028	5.9
157.06494	12.4
157.10155	17.9
158.07211	4.0
159.08080	7.5
159.11723	18.2
161.05991	19.7
161.09616	16.4
161.13234	9.7
163.11201	19.2
165.07072	7.0
167.08588	6.4
169.10155	15.3
171.08093	8.3
171.11655	16.6
173.06009	11.1
173.09592	6.1
173.13286	8.7
174.06790	13.9
175.07513	5.6
175.11128	7.2
179.08612	7.5
179.38800	3.4
181.10124	10.3
183.08049	5.3
183.11708	6.7
185.09592	6.6
185.13278	11.6
187.07562	12.0
187.11127	5.8
189.05478	15.5
189.11253	9.4
189.12782	8.8
192.09441	3.8
193.10144	5.9
193.12277	6.6
195.11612	5.1
197.09662	8.4
197.13397	5.6
201.09044	3.8
201.12828	5.0
205.12180	8.1
207.11699	5.3
209.09579	4.0
209.13322	4.1
211.14827	5.4
217.62770	4.2
223.13274	6.7
227.14442	4.8
234.19177	3.6
245.15692	4.8
254.00826	3.9
255.13873	5.4
259.20547	8.5
261.22137	5.4
271.13477	3.9
273.14893	42.6
285.14749	9.3
289.14142	4.2
301.14432	43.0
303.15878	21.8
319.15414	18.4
321.17523	4.4
333.24167	10.1
335.25992	30.0
339.23447	3.6
347.18750	7.0
373.25443	3.7
375.18027	10.2
377.19885	4.0
391.26599	4.2
393.19095	13.8
459.32187	3.6
543.34357	7.1
555.37384	4.5
579.36591	6.1
581.38361	4.7
605.38171	4.3
607.39209	5.5
611.25555	5.8
611.39642	6.5
617.38342	9.3
623.39490	20.6
635.39410	52.9
644.92004	4.0
653.40729	27.9
671.31824	5.4
671.41632	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96996	0.8
55.05498	3.5
56.16956	0.9
57.03437	1.4
61.87239	0.9
64.15718	0.9
67.05501	4.3
69.07059	2.8
69.55811	1.0
71.55045	1.1
79.05499	2.2
81.07060	5.6
83.08612	1.5
91.05479	1.6
93.07045	1.7
95.08627	3.3
97.10159	1.7
106.27512	1.0
107.08619	1.1
109.06561	0.9
109.10184	1.7
114.05154	0.9
119.08607	1.2
134.60191	1.0
143.08466	0.9
165.12816	1.5
201.04515	0.9
202.95090	0.9
208.78558	1.1
289.21567	1.2
335.21906	9.0
337.27405	1.3
391.24756	4.2
671.48615	100.0
672.49280	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	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.1
57.03449	4.7
57.07082	38.6
61.02639	1.0
61.02932	10.8
61.83590	0.5
67.05515	10.0
69.03421	1.5
69.06779	0.6
69.07073	7.3
71.06087	1.1
71.06425	1.2
71.08640	29.1
73.02935	4.7
75.04485	1.7
79.05479	1.4
81.07065	14.4
83.04963	0.7
83.08623	10.9
85.02419	1.1
85.02908	14.4
85.10190	16.7
89.06035	1.4
91.03960	11.7
95.08616	21.6
97.02916	5.9
97.10180	6.4
99.11738	1.1
103.07539	0.6
109.10168	12.2
111.11703	0.9
123.11714	4.4
125.13251	1.2
127.03941	4.6
137.13220	2.2
145.04958	6.0
151.14796	0.9
163.06036	9.4
221.22699	1.0
239.23721	23.2
257.24844	4.7
313.27393	100.0
314.27783	2.2
331.28439	23.9
398.00076	0.8
475.32663	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	672.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01873	4.4
55.05264	3.2
55.05516	45.0
57.03431	6.7
57.07082	36.8
59.04999	4.1
63.51200	2.0
65.03962	2.7
67.05513	100.0
69.03423	7.3
69.07073	16.2
71.04996	6.2
71.08638	22.6
71.46832	3.9
74.46532	1.8
79.05492	23.5
81.07067	49.1
83.04990	2.8
83.08627	38.8
85.06544	3.9
85.10194	11.9
89.06010	3.8
91.04992	2.3
91.05477	14.8
93.07047	16.4
95.04995	3.4
95.08614	36.8
97.06553	2.7
97.10178	59.8
99.08141	2.0
105.07042	5.8
107.08615	19.8
109.06529	6.0
109.10168	64.4
111.08094	5.1
117.07005	2.8
119.08585	7.3
121.10131	5.0
123.11703	4.1
125.09638	46.8
131.08617	4.7
133.08682	2.8
133.10126	5.7
135.08069	6.5
135.11694	2.9
137.09674	2.1
143.08507	2.4
145.10167	1.8
147.11670	3.7
153.09128	4.6
155.10710	2.6
165.12737	4.3
171.10233	4.0
171.11679	1.8
173.11734	8.2
173.24667	1.9
189.11241	26.8
190.58630	2.0
191.14377	1.9
227.12808	90.3
229.14372	6.6
239.23665	5.5
263.83783	2.4
269.17300	3.4
275.20108	3.6
289.21375	2.1
290.21921	2.7
291.23080	3.1
313.27408	17.5
324.21945	2.1
349.23779	3.6
381.22702	29.6
399.23819	53.6
467.37375	63.7
483.36868	57.5
507.40549	9.8
523.40466	2.5
527.62762	2.2
547.43549	8.8
620.35364	2.4
637.46826	47.7
638.47693	2.0
672.49158	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88725	0.6
54.33993	0.6
57.03438	0.8
58.99866	0.7
62.40368	0.6
69.03426	1.0
70.69841	1.4
70.99854	0.9
77.00932	1.0
78.04068	0.6
80.54592	0.7
82.99893	3.0
85.02918	3.7
89.00926	0.6
97.02908	2.3
98.97578	3.0
101.00888	18.2
110.97565	1.4
113.00895	1.8
115.02433	1.3
116.98618	1.2
119.01936	27.2
127.02439	2.1
127.03951	1.7
129.04022	0.8
131.01941	6.3
133.03473	1.2
137.03008	1.8
139.02455	0.9
140.98616	0.6
143.01910	63.9
144.01988	1.1
145.03461	7.9
145.04587	0.8
146.99605	0.6
155.01906	10.5
157.03508	4.4
158.99709	0.7
160.06616	0.8
161.02974	59.5
162.03218	1.1
163.04568	1.5
167.01938	4.4
167.05540	3.3
169.03491	1.6
170.04303	1.0
171.05061	1.0
173.02998	11.0
173.06647	2.1
175.04532	1.3
179.01942	1.4
184.04599	1.6
185.02992	15.0
185.06615	18.1
187.02969	1.1
187.04391	3.0
197.02975	4.5
197.06674	0.9
199.04419	2.0
201.00731	1.5
201.06079	1.5
203.04031	11.9
203.07689	1.6
204.04070	0.7
211.04527	27.0
215.04131	4.1
215.07700	0.7
217.05556	2.3
219.01820	3.0
221.05087	18.4
225.06041	1.0
227.04059	2.6
229.05605	59.1
230.05942	1.5
237.02805	3.9
241.05550	1.7
243.07320	1.7
245.05106	26.1
252.07304	1.7
257.05161	1.0
259.06860	1.6
261.02798	1.1
263.06168	7.0
271.06702	6.7
273.08185	2.1
275.06143	3.1
275.09866	1.1
281.07278	0.9
293.07166	2.4
301.07718	2.8
305.07178	2.3
305.10516	0.8
319.08911	1.3
319.12411	1.4
323.08328	1.8
331.08792	53.9
335.08307	1.2
341.83328	0.7
347.11978	2.0
349.09872	100.0
350.09985	2.1
363.11591	1.0
365.09467	2.6
372.11475	4.5
373.10019	2.5
391.09821	5.8
421.11954	5.5
425.11551	0.9
451.13074	11.3
481.13678	1.0
493.14072	4.3
511.15186	28.9
519.43103	0.7
583.16364	0.7
673.20782	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	673.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05593	1.7
67.05498	5.6
70.31842	1.9
70.99908	2.1
71.18345	1.8
71.54589	3.0
74.42443	2.0
76.68572	1.9
84.04516	56.0
84.08157	99.5
84.46337	1.7
86.09704	9.3
95.04982	4.8
101.33822	1.9
113.06013	8.7
130.05011	14.8
130.08662	59.5
131.88918	1.9
140.69128	1.8
150.09167	3.4
168.10263	2.3
184.74847	2.0
196.09669	13.5
197.43991	1.8
207.89159	2.1
215.13936	2.3
242.10271	9.4
259.12936	100.0
311.16843	2.0
386.49429	2.1
463.74344	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	673.3418
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
53.03945	0.5
55.01880	0.5
55.05495	1.2
56.96539	0.4
57.03444	1.9
59.04993	1.0
61.02933	3.6
65.03929	0.4
67.05512	8.4
69.03443	2.6
69.07073	1.4
70.20732	1.5
70.23763	0.4
70.31540	0.4
71.01356	0.5
71.04996	1.4
73.02921	3.6
79.05510	3.2
81.03433	4.7
81.07064	3.6
83.04983	1.0
83.08627	1.6
84.04477	0.5
85.02919	4.5
85.06538	0.6
87.04501	0.4
91.03961	2.1
91.05504	2.8
93.07062	2.1
95.04990	1.4
95.08619	1.5
97.02898	4.1
97.06541	2.4
97.10176	0.5
99.04469	1.3
101.02391	1.7
103.03953	0.9
104.03558	0.4
105.07043	2.1
107.04948	0.9
107.08628	1.8
109.02890	1.0
109.06541	0.6
109.10170	6.4
111.04443	0.6
111.08104	0.4
115.03960	0.5
116.02373	0.4
117.07011	0.4
119.08596	2.4
121.06566	0.5
121.10153	1.8
123.08077	0.5
127.03931	1.5
129.07042	0.9
131.08588	1.1
133.10164	1.4
135.11713	0.5
137.09673	0.4
141.65768	0.4
145.10194	0.5
147.04411	0.7
147.11713	1.5
149.09665	1.5
149.63914	0.4
153.01898	1.1
155.10716	0.8
157.10185	1.2
163.03947	0.8
163.11252	0.8
167.03360	0.6
171.90750	0.4
173.11778	2.5
175.11272	1.1
178.48297	0.4
193.12297	1.5
195.09970	0.6
211.13373	0.7
213.05615	0.4
215.23541	0.4
215.31290	0.4
225.14854	0.5
227.12749	0.4
227.94250	0.4
229.14404	1.4
243.08350	2.1
259.01462	0.4
267.16043	1.1
283.15292	3.2
311.05670	0.6
323.05420	0.4
327.15948	0.4
333.17514	0.4
339.17844	0.7
349.07083	1.0
355.15421	1.0
391.11938	0.6
407.11133	0.9
413.17886	9.2
414.18314	0.5
429.19272	0.6
435.14572	4.8
467.17130	1.7
477.28375	0.5
479.17023	0.9
493.28107	0.6
501.23090	9.8
511.19714	2.5
511.28317	0.8
673.34131	100.0
674.34570	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	674.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01868	2.3
55.05531	4.6
56.05029	4.5
57.03430	2.0
60.08156	1.3
61.02913	0.9
67.05513	16.8
69.03419	1.8
69.07056	4.2
71.04973	1.2
71.55352	1.1
79.05502	13.6
81.03438	4.7
81.07066	19.8
83.04985	2.5
83.08611	2.6
84.04515	85.3
85.02912	7.6
86.06069	1.1
86.09735	5.8
87.00816	0.9
91.05482	11.9
93.07055	13.9
95.04967	4.1
95.08617	11.0
97.02885	1.8
97.06518	3.9
97.10184	1.5
99.04472	1.2
99.08099	1.3
102.05550	38.4
103.05463	1.1
105.07040	8.5
107.04971	1.0
107.08602	9.4
109.02901	1.3
109.06516	1.5
109.10162	7.5
117.07045	2.8
119.08598	5.8
121.06535	2.0
121.10136	7.2
123.11729	1.9
124.99976	2.3
127.03941	2.1
129.07010	1.0
130.05020	69.3
131.08597	5.1
133.06496	1.1
133.10115	4.5
135.11681	5.2
137.68452	0.9
138.45149	1.0
145.10112	2.6
147.04399	3.5
147.11681	3.9
148.06064	100.0
149.05966	1.8
149.13264	3.7
153.90300	0.9
159.11708	2.8
161.13307	1.9
163.03902	1.4
163.11131	1.9
163.14798	2.1
173.13263	1.6
177.05481	1.7
177.16428	1.2
184.07352	17.0
187.03891	1.2
187.14804	1.6
189.11249	1.0
193.12222	2.3
209.07968	1.3
229.14355	1.8
243.21138	5.0
261.22174	13.8
279.23407	1.7
283.15439	2.1
285.16580	1.1
323.05524	1.9
324.05841	2.0
344.25943	1.8
350.07745	1.1
362.26776	1.7
367.22745	1.1
372.25256	2.0
384.05551	1.0
385.23505	2.3
390.26489	3.9
403.24701	1.5
408.27484	21.8
426.28397	4.1
434.16519	1.0
435.14566	1.4
436.14725	5.7
459.27524	6.7
466.55545	1.0
477.28632	8.3
480.17276	1.4
495.28308	1.3
512.19769	3.8
516.29193	1.1
674.34747	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	674.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.2
57.03431	11.4
57.07071	3.8
61.02928	4.6
66.44875	2.8
67.05503	29.4
67.31465	2.5
69.07059	8.3
71.04987	4.3
71.55723	3.3
79.05495	29.5
81.03420	83.8
81.07068	30.6
83.04975	7.9
83.08628	24.5
85.02911	13.5
91.05495	25.2
93.07046	21.0
95.04968	28.0
95.08598	11.7
97.02897	11.4
97.10133	6.1
98.56245	2.9
105.07027	17.2
107.04950	6.4
107.08608	14.3
109.06521	7.3
109.10141	4.7
111.08096	6.2
117.07048	5.1
119.08576	15.1
121.06538	3.8
121.10150	8.7
122.62111	3.2
123.08069	3.5
124.16538	2.8
129.07008	12.7
131.08585	11.0
133.06526	4.0
133.10123	11.4
133.75983	3.0
135.11700	4.4
145.06499	3.8
145.10127	6.7
147.08026	3.9
147.11656	11.0
149.02342	10.7
149.09575	3.1
149.13321	3.1
157.10150	10.7
163.11226	6.6
175.11235	9.6
184.42126	3.3
193.04938	5.4
193.12288	23.8
195.13918	2.8
205.88348	3.2
211.11601	3.6
211.13222	15.6
228.23145	5.4
267.15924	100.0
269.17453	12.5
272.25714	3.0
273.14792	3.4
283.15442	21.9
285.16989	17.4
332.05261	3.3
349.21552	5.4
367.22638	8.3
385.23621	11.8
397.41293	3.1
403.24832	3.7
433.25690	7.5
441.26575	3.3
459.27435	50.2
477.22119	5.0
477.28546	75.9
674.35028	19.4
675.25433	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	675.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40855	0.6
52.97345	0.7
56.96546	0.8
69.03432	1.1
69.49305	0.6
72.16450	0.6
78.48102	0.6
82.99861	1.5
85.02885	2.3
95.39768	0.6
97.02887	2.2
98.21497	1.9
98.97578	2.6
101.00893	5.4
105.00356	0.7
109.02866	0.9
113.00844	1.0
115.02451	1.0
116.98615	1.0
119.01929	9.3
121.01626	1.5
123.02937	0.9
127.02430	1.4
127.03897	1.6
128.98607	1.3
131.01933	4.7
133.03453	0.9
136.06160	1.1
143.01909	8.8
144.02016	1.1
145.01678	3.9
145.03471	6.7
155.01889	7.8
156.02689	2.5
157.01604	0.9
157.03496	4.8
158.99695	0.9
159.05022	3.6
161.02991	8.1
162.03044	0.9
163.02747	3.4
167.01894	3.7
169.03473	1.3
170.99753	0.7
171.05000	1.6
173.02965	10.1
173.06618	1.5
177.06146	1.1
179.01888	1.3
183.05025	4.7
185.02977	14.4
185.06526	3.5
187.02953	1.0
187.04559	1.6
187.06326	0.9
189.03119	0.8
189.06107	1.1
191.03815	0.7
195.05032	1.6
197.02988	4.8
197.06650	1.7
198.03549	1.2
201.03142	1.3
201.06081	8.9
203.04015	15.5
205.03758	0.9
207.05060	1.2
209.02968	1.0
209.06657	1.0
213.04321	1.8
213.06111	1.9
215.04004	2.3
215.07668	2.0
217.03697	0.7
217.05608	0.7
219.01758	1.1
219.05106	2.9
221.05083	36.9
223.04794	0.9
225.06113	3.2
227.04137	3.4
227.07664	2.3
229.05600	1.5
230.05867	1.1
231.05473	2.3
237.02596	0.9
237.06088	8.2
243.07120	1.6
245.02567	1.6
245.05092	29.4
246.05388	0.9
247.04865	1.6
255.07104	2.6
257.05157	1.5
257.08649	4.2
259.03012	18.6
259.05624	1.4
261.02869	1.3
263.06131	3.3
267.07141	2.6
273.05423	1.0
273.08258	1.9
275.06149	3.5
275.09778	7.4
277.04034	17.4
285.08212	95.0
286.08484	3.7
287.09521	1.1
293.07205	0.8
303.09167	2.7
305.07138	3.1
305.10483	0.8
315.09259	48.0
316.09488	1.3
323.55682	0.8
333.10379	71.7
334.10471	1.5
335.08096	1.1
347.12064	0.8
350.09869	1.1
351.09888	5.3
356.11774	1.5
365.09174	2.9
375.11380	100.0
376.11667	3.0
387.11356	8.2
391.37863	0.8
399.11386	4.2
405.12402	5.8
411.11163	1.2
423.11066	1.2
429.12631	1.4
435.13428	5.1
447.13507	1.7
459.13528	4.8
469.12112	0.9
477.14429	5.6
495.15320	0.9
513.14862	2.2
560.39783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
57.03438	1.3
57.07072	3.4
61.02905	1.8
67.05506	3.5
69.03425	1.6
69.07072	1.7
71.08636	2.0
79.05487	1.8
81.07047	2.3
85.10171	1.5
87.04484	2.1
88.78355	1.1
91.03965	1.2
91.05470	2.2
93.07028	1.5
95.08611	2.8
105.07021	1.8
109.10091	1.2
122.51320	1.2
149.02368	2.4
156.03641	2.1
193.04892	1.5
239.23628	1.7
313.27451	1.9
314.27679	3.0
315.27963	2.6
347.17111	5.7
347.67383	5.8
348.17569	1.4
352.51996	1.2
370.10385	2.4
371.12448	1.2
384.12140	3.8
385.13043	15.5
386.13626	5.4
397.12921	4.1
398.13885	8.0
398.90958	1.4
399.14514	28.1
400.15369	61.5
401.15735	5.7
411.14444	1.8
412.15533	10.7
413.16214	18.3
414.16910	24.0
415.17404	4.9
425.16422	1.7
426.16907	3.0
427.18143	14.7
428.18625	16.0
429.19257	53.3
430.19498	2.9
441.15198	1.8
442.15924	6.6
443.13617	5.3
444.14276	11.9
447.20386	2.1
455.17215	18.9
456.18076	8.5
457.14063	2.0
457.19086	2.2
458.15771	4.1
459.16650	4.1
467.12927	1.8
469.18967	1.6
471.17050	2.0
472.17331	5.5
473.18234	20.5
481.15292	2.2
482.15778	1.6
483.16486	12.2
484.21393	1.8
487.16003	4.8
491.18860	1.6
496.16922	1.5
499.16016	2.8
501.17755	8.3
502.18393	3.7
509.14737	1.4
511.19629	3.4
514.18292	1.4
516.23792	8.2
523.16565	2.7
527.15283	8.1
539.19226	10.1
540.19617	7.8
543.22314	15.0
544.23230	33.9
544.36035	1.5
555.18481	3.8
560.22723	11.5
570.20624	2.1
571.21954	56.0
572.22375	14.1
575.24908	3.6
587.21454	6.7
588.22241	100.0
589.22388	2.4
593.83533	1.7
601.23029	2.5
603.24475	5.8
615.20935	6.2
616.21002	4.5
619.23883	2.9
629.22546	19.9
631.23608	6.5
647.23560	6.4
657.21820	22.7
675.11536	1.6
675.22870	15.7
676.23370	1.6
704.77130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
55.77431	0.6
67.05499	1.7
69.07083	0.6
70.20402	1.6
79.05492	1.1
81.07054	1.7
83.08628	0.6
93.07068	1.1
95.04990	0.9
95.08639	1.4
95.73247	0.5
117.37348	0.6
119.08560	0.9
148.80945	0.6
167.24007	0.6
366.15054	0.7
370.55655	0.7
384.12570	1.1
398.13727	2.7
399.14441	5.3
411.14447	0.7
412.15417	6.0
413.16058	21.3
414.17172	17.8
415.18256	4.2
425.16333	1.2
426.16895	4.8
427.17722	19.2
428.18491	26.8
429.18597	1.7
430.16498	1.5
431.16779	1.4
432.19318	2.0
433.19495	1.0
440.18839	1.6
441.19656	15.1
442.19989	29.2
443.20782	9.1
444.18115	0.9
455.17023	2.5
455.21939	1.0
456.21521	1.4
457.14981	1.1
458.15781	2.1
459.15839	0.9
468.17743	0.8
469.18771	36.7
470.19058	21.7
471.16827	1.5
472.17349	4.7
473.18207	7.9
474.18481	4.4
479.21359	0.7
484.13528	0.8
485.13828	1.3
486.18927	2.5
487.19241	0.8
495.16119	1.0
497.18121	1.5
500.20459	1.5
501.21259	3.0
509.18210	2.5
510.19028	1.9
513.17743	23.0
514.17883	21.9
515.18066	1.2
523.20013	0.8
524.20630	1.2
525.21576	6.5
541.21185	1.3
542.21442	0.7
557.24023	100.0
558.24353	6.4
572.22687	0.9
573.23138	1.8
587.21320	1.5
588.25891	29.6
589.26282	1.1
599.25482	0.9
600.22491	1.6
601.22656	3.5
615.24609	17.5
616.24866	64.9
617.24658	2.7
631.27234	2.5
635.24506	0.7
643.24066	48.8
644.24628	3.4
647.27380	1.6
675.26648	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	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
62.69857	0.6
67.05499	2.4
69.07056	1.6
79.05492	1.7
81.03417	1.8
81.07065	2.0
83.05009	0.7
83.08640	0.8
91.05481	1.7
93.07044	1.6
95.05006	1.0
95.08611	1.9
97.06526	0.6
97.10184	1.2
105.07037	0.8
107.08635	1.1
117.07009	1.1
119.08604	1.0
131.08601	0.6
133.10107	0.8
146.41182	0.6
205.78566	0.6
259.85980	0.7
282.50656	0.7
348.98755	0.6
398.13855	2.6
399.14566	5.5
400.15826	1.5
412.15387	6.0
413.16095	23.2
414.17136	22.6
415.18469	4.2
425.16248	0.7
426.16855	5.8
427.11768	1.0
427.17670	21.4
428.18481	28.7
429.19058	1.3
430.16553	2.4
431.16653	0.9
432.19424	2.0
433.19446	0.8
440.19116	1.3
441.19757	13.8
442.19958	30.3
443.20740	9.8
444.18280	1.1
455.16644	2.3
455.21170	2.5
456.21585	2.4
457.14767	0.8
458.15863	1.9
459.15607	0.8
459.21036	1.1
467.17200	0.7
468.18060	1.2
469.18759	42.0
470.18961	21.9
471.17386	2.5
472.17422	5.5
473.18304	8.4
474.18494	4.7
475.18661	1.1
484.13876	2.5
485.18546	1.3
486.18823	2.5
487.20056	1.6
494.15802	0.9
495.16287	1.3
496.17462	0.8
497.18274	1.2
499.15762	0.9
499.20193	0.6
500.20544	1.0
501.21692	3.1
502.21576	0.9
503.37323	1.4
509.18210	3.1
510.18500	1.8
513.17737	22.8
514.17920	21.3
515.17847	0.9
523.19891	1.4
524.20886	0.9
525.21423	7.9
528.24359	0.8
529.24304	0.8
541.21149	1.2
557.24023	100.0
558.24194	5.7
573.22839	3.0
587.21246	1.2
588.25903	27.9
589.25714	1.2
600.22522	1.8
601.22412	3.4
615.24475	17.6
616.24841	65.7
617.24390	3.4
618.22955	0.8
631.27924	2.5
643.24036	50.4
644.24292	2.6
647.26801	1.4
675.26709	7.4
675.42261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
67.05518	0.3
69.76802	0.9
69.77225	0.4
74.74574	0.3
78.28761	0.2
79.05478	0.3
81.03445	0.2
109.38262	0.2
120.31969	0.2
136.51151	0.2
248.04451	0.2
412.15439	0.6
413.16287	1.0
415.18158	0.4
425.16434	0.5
426.17035	0.4
427.17963	0.6
428.14255	0.5
429.15323	1.5
430.16501	1.0
440.19012	0.7
441.14792	0.4
441.19446	1.1
442.16501	0.5
443.17807	1.3
444.18039	1.4
445.19006	2.4
452.14532	0.3
453.15906	0.4
454.16721	0.6
455.12881	0.5
455.18375	0.5
456.13721	0.6
456.18973	0.5
457.14819	1.5
457.19464	1.2
459.20990	0.2
467.12985	0.9
467.17664	1.2
468.14575	1.2
469.13998	2.2
470.14954	1.5
471.16330	3.5
472.17511	1.8
473.18146	0.5
475.19601	0.5
480.14053	1.9
481.14841	3.1
482.15811	3.5
483.16833	4.1
484.17810	1.3
485.18445	4.5
486.18686	0.5
494.16089	0.8
495.16727	10.8
496.17432	5.0
497.18329	10.8
498.19339	1.4
499.15561	0.5
499.20236	0.4
500.17105	0.8
501.18393	0.3
502.18280	0.7
503.19434	0.3
510.18930	0.7
511.19836	1.0
513.17560	1.7
515.19989	0.6
516.20032	0.3
525.17926	0.4
527.19580	0.9
528.16638	0.7
529.21149	0.7
531.19244	0.4
541.17084	0.6
542.17834	0.6
543.21881	0.3
555.18799	12.0
556.19458	0.7
557.20691	1.0
569.20728	0.3
573.23950	3.7
574.21637	0.3
583.21960	1.1
585.22882	0.3
596.21326	0.3
601.22864	0.5
616.23541	0.3
617.22455	2.9
627.21112	0.5
629.22363	0.3
643.23920	4.0
644.25128	1.5
645.22076	2.4
657.25604	1.0
660.24347	4.4
675.26691	100.0
676.26923	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	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88013	0.3
63.74450	0.3
69.73397	1.7
81.00185	0.3
85.78981	0.3
98.20764	0.6
102.09483	0.3
225.66161	0.4
413.16238	0.4
429.15768	0.4
441.19510	0.5
445.18988	0.7
453.15759	0.7
454.16629	1.1
455.13251	0.6
456.14026	0.6
466.12695	0.5
467.13638	1.1
468.13779	2.4
469.14896	6.8
470.15656	1.9
471.16904	1.3
472.17734	0.4
480.14145	0.7
481.14758	2.4
482.15878	9.7
483.16693	9.7
484.17667	2.4
485.18207	1.1
495.16870	3.6
496.17569	5.7
497.18280	37.5
498.18817	3.8
499.19327	1.0
500.16913	0.4
510.19333	2.1
511.19858	4.5
512.20514	2.1
513.17609	0.4
515.19647	1.5
523.16504	0.7
525.18134	0.4
528.16370	2.7
529.21021	0.4
537.18561	0.4
539.19293	0.6
541.17621	0.6
542.17822	2.1
555.18628	3.5
556.19550	3.1
557.20306	2.9
569.20062	0.8
571.22046	0.6
573.23029	0.9
583.21716	0.4
585.22552	0.4
616.21387	1.4
617.22186	0.8
625.22913	0.5
629.22620	1.1
630.23212	0.5
643.24121	6.9
644.24780	6.8
645.23444	1.2
657.25629	5.5
660.24280	0.6
675.26666	100.0
676.26801	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23919	0.3
55.05529	0.3
63.44502	0.3
67.05502	0.5
79.05524	0.4
84.55669	0.3
93.07059	0.5
109.99362	0.3
117.37980	0.3
119.76198	0.2
133.65030	0.3
149.02426	0.4
185.04305	0.5
203.05327	1.5
259.08011	1.1
305.07941	0.4
310.23398	0.3
333.25098	0.5
347.09558	1.0
365.10657	3.2
387.13266	0.5
400.15100	0.5
401.14743	1.3
402.15363	2.7
414.15839	0.7
415.15805	0.7
416.16953	1.1
421.13190	0.9
429.18201	0.7
430.18997	0.7
431.19278	2.0
445.14584	0.3
446.14578	0.4
457.17590	1.0
475.18643	0.8
485.16281	0.4
515.31976	21.2
516.32520	0.5
518.23505	0.4
529.15363	0.6
543.82867	0.3
545.22815	0.8
546.23206	1.3
562.22272	0.5
573.21924	2.3
574.22705	0.4
589.22522	0.4
590.22345	4.9
617.21936	0.6
631.22638	0.7
649.24225	0.5
659.22180	0.8
677.37225	100.0
678.37366	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.05508	16.0
57.03436	5.9
57.07074	4.3
61.02936	21.9
65.03941	4.2
67.05510	71.6
69.03428	3.7
69.07078	14.2
70.09872	3.6
70.10284	6.3
73.02924	8.9
79.05061	4.3
79.05499	49.5
81.03420	3.6
81.07065	63.6
83.08626	7.2
85.02911	30.4
85.06535	5.1
87.04427	2.0
91.03953	24.0
91.05480	23.3
93.07053	65.0
95.04971	5.0
95.08613	59.6
97.02888	10.1
97.06538	5.9
97.10185	5.2
99.08071	2.8
105.07021	18.9
105.66647	2.1
107.08607	41.4
109.10169	35.3
115.05393	2.2
117.07008	11.9
119.08607	18.0
121.10153	27.9
123.11710	15.0
126.02814	1.9
127.03922	9.1
128.10706	1.9
131.08585	21.4
133.10124	13.6
134.94000	2.0
135.11713	22.3
137.09528	2.3
137.13274	6.2
139.11218	2.6
145.04977	9.4
145.10127	16.6
147.04471	2.6
147.11719	13.7
149.09639	2.7
149.13261	21.4
159.11739	15.5
161.13277	13.9
163.06044	20.0
163.11201	2.2
163.14842	15.2
165.12718	3.4
171.11780	2.2
173.13278	16.8
175.14902	2.2
177.16417	6.8
179.14333	2.5
187.14830	8.7
201.16422	3.5
233.22736	3.1
243.21111	34.5
250.27376	2.3
261.22165	100.0
279.23029	2.2
317.96527	2.4
325.77933	2.2
335.25897	15.8
353.26880	29.2
364.20996	2.2
382.70706	2.4
503.45547	2.2
512.42975	1.9
617.23248	4.5
645.22131	4.1
677.25763	5.5
677.36639	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40362	2.1
53.03940	5.9
55.05518	18.4
57.03428	7.9
57.07073	4.4
59.50874	1.6
61.02932	24.2
65.03932	4.3
67.05512	89.9
69.03408	2.5
69.07080	16.3
69.32462	15.7
71.04995	3.1
73.02905	8.6
79.05067	3.5
79.05501	55.6
81.03391	3.9
81.07067	98.6
83.05000	3.4
83.08636	9.4
85.02912	25.7
85.06528	3.1
91.03958	20.5
91.05490	30.2
93.07053	70.7
95.04957	2.8
95.08618	72.5
97.02888	10.1
97.10155	4.6
98.21460	3.0
99.08109	4.4
105.04530	2.6
105.07059	17.2
107.08605	43.1
109.06520	3.1
109.09470	2.7
109.10174	44.6
111.08105	2.8
115.03932	2.2
117.07034	11.9
119.08599	18.9
121.10152	35.5
123.08047	2.2
123.11705	21.3
125.09675	3.5
126.94299	2.1
127.03922	8.5
131.08585	26.5
133.10150	18.4
135.11697	33.5
137.09673	2.4
137.13248	6.5
139.11188	3.0
143.08478	2.7
143.22786	2.1
145.04951	8.4
145.10127	20.7
147.11713	14.5
149.09685	2.2
149.13260	23.3
151.11220	4.5
151.14821	2.1
159.11697	14.7
161.13239	13.0
163.06032	13.0
163.11171	2.0
163.14841	15.5
173.13292	17.7
175.14861	3.3
177.16417	5.2
179.14182	2.3
187.14847	11.9
189.16408	2.0
201.16405	3.9
215.17993	2.7
215.29359	2.3
233.22705	3.2
243.21086	36.1
261.22177	100.0
279.23203	6.1
310.30246	2.3
335.22037	2.7
335.25842	38.6
353.26959	36.2
395.62143	2.1
497.31100	6.0
631.71313	2.3
677.31158	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	678.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94281	3.8
69.96367	3.3
84.97397	3.6
108.73997	3.6
161.46887	3.6
253.13605	4.5
445.20709	4.9
447.17310	4.0
459.22076	23.1
460.22119	11.1
475.21313	28.2
476.22678	4.3
477.22906	8.1
535.23096	7.7
547.26251	11.8
551.23627	4.8
557.73279	4.2
561.24969	8.0
563.26080	11.6
565.24091	4.0
589.24213	10.1
590.25330	5.8
591.26031	5.5
592.26996	4.9
593.24438	11.8
595.25537	7.8
606.28534	50.6
621.27197	49.1
622.27765	100.0
623.28290	11.0
638.27484	20.9
646.26324	6.9
658.76025	4.2
678.29047	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	678.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	16.4
55.01861	5.8
55.05520	35.4
56.91918	3.5
57.03432	13.5
57.07087	5.2
57.19706	3.6
65.03938	6.8
67.05514	87.4
69.03430	6.1
69.07074	55.3
69.17453	35.3
71.04993	17.3
71.08620	3.7
79.05495	84.4
81.03430	17.0
81.07066	100.0
83.04980	15.9
83.08626	16.6
85.06547	6.3
86.09708	15.8
91.05486	64.2
93.07050	84.7
93.07625	6.8
95.04977	15.1
95.08619	66.2
96.78679	3.9
97.06546	55.5
98.21508	9.7
99.08105	7.6
105.07032	45.9
107.05001	7.6
107.08596	42.3
109.06540	17.5
109.10155	24.0
111.08070	9.1
115.07602	21.5
117.07038	22.1
119.08597	32.0
121.10146	28.6
123.08086	7.1
123.11687	4.7
125.00017	11.5
129.06996	9.8
130.07814	4.5
131.08580	20.8
133.10139	31.5
135.08040	8.9
135.11705	16.1
143.08569	7.5
145.10126	14.6
147.11722	11.2
149.09613	5.3
149.13263	10.1
151.11205	7.4
157.10226	3.7
159.11734	14.6
161.09550	5.1
161.13257	9.6
165.12698	5.5
171.11667	8.2
173.13264	7.2
175.11200	7.4
177.12794	5.1
177.79970	3.6
179.14336	5.3
184.07362	65.6
237.77310	3.9
245.19186	4.7
261.22092	7.0
269.17346	5.7
273.18521	15.2
277.21658	6.2
291.19629	7.1
293.21136	7.4
335.25879	46.0
347.21988	6.0
365.23260	6.7
367.24490	4.6
394.63293	4.1
426.65390	4.4
444.01434	4.1
529.38892	34.1
625.44678	7.3
643.45825	5.7
678.45813	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	678.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
53.53827	2.9
55.01871	7.7
55.05516	32.3
57.03433	16.1
57.07078	8.6
62.86897	3.2
67.05512	55.1
68.05863	3.6
69.07079	28.1
69.79741	3.2
71.08640	38.3
75.83168	3.5
79.05504	57.6
81.03420	14.2
81.07066	67.8
81.70198	3.3
82.07391	4.7
83.04996	18.2
83.08623	18.2
85.06481	3.8
86.09715	5.3
91.05490	42.7
93.07055	54.9
95.04961	16.4
95.08615	45.5
97.06544	12.2
97.10175	13.4
99.08098	25.2
102.73993	3.2
105.07047	20.9
107.04974	12.6
107.08598	32.3
109.06517	4.8
109.10189	23.8
111.08087	5.2
116.07117	5.1
117.07018	10.4
119.08614	21.6
119.58582	3.3
121.06522	6.7
121.10155	27.2
123.08059	8.0
123.11736	4.0
125.00014	5.8
125.09621	9.1
129.07047	5.3
131.08583	14.7
133.10141	14.2
135.08054	5.6
135.11723	22.7
145.10138	12.5
147.11681	6.1
147.27817	3.8
148.07602	5.9
149.13284	10.1
151.11180	6.7
156.74954	3.9
159.11726	4.4
161.09564	5.2
161.13293	8.8
163.11208	9.5
179.14331	57.7
181.12360	4.0
184.07365	15.6
209.11909	4.5
227.12735	4.3
227.63467	3.6
267.15958	8.0
275.20013	4.7
277.21634	43.4
283.15375	7.2
290.18301	5.1
293.21133	100.0
295.22736	4.8
313.27560	5.6
335.25797	14.6
337.27383	19.7
351.25259	19.9
367.24939	29.5
381.22769	10.8
483.22272	4.1
543.23456	7.5
543.36365	4.6
545.38422	11.2
575.26355	22.1
603.26276	21.4
620.25726	8.1
635.18494	6.4
635.28369	67.2
643.35773	5.0
643.45691	67.0
647.23981	3.8
678.45593	12.0
679.26794	5.7
679.47620	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	679.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.3
57.03440	1.0
57.07058	0.9
63.22169	0.8
65.03918	1.1
67.05514	5.0
69.07059	3.6
69.83808	4.7
70.06555	0.8
71.08645	1.7
79.05482	3.5
81.03408	1.6
81.07063	6.7
82.07357	0.9
83.04964	1.0
83.08598	1.4
87.46094	0.8
91.05477	3.4
93.07055	5.7
95.04984	1.3
95.08641	3.8
96.08958	0.9
97.06554	1.7
97.10134	1.1
98.20779	0.9
105.07023	3.3
107.08575	3.5
109.10135	1.8
111.08064	1.0
121.06541	0.8
121.10128	2.4
129.06981	1.2
131.08582	1.7
133.10129	1.9
135.11685	1.4
148.07562	1.0
149.13322	0.9
151.11172	1.1
157.10165	0.9
179.14308	3.7
184.07266	1.2
277.21625	1.2
293.21036	2.8
294.21429	0.9
333.88943	0.8
335.25955	1.0
351.25555	1.1
361.23395	0.9
367.24823	1.0
391.19150	1.0
446.21204	0.9
457.20007	0.9
459.21625	2.3
461.23428	2.2
463.20978	1.0
464.22604	0.8
473.18878	1.6
473.23990	1.0
487.21161	2.4
489.22794	1.9
495.24042	1.1
500.21844	1.2
501.22791	1.6
507.97852	1.0
511.20782	1.0
513.19019	0.9
515.23865	2.7
516.21851	1.1
517.21997	4.6
526.26855	0.9
532.24255	1.7
533.22186	1.7
543.23883	7.7
544.24426	1.4
545.21228	1.6
545.37842	1.2
547.26379	1.7
548.24573	1.5
557.25061	1.2
559.23474	0.9
560.23859	3.0
561.24762	3.8
571.22980	4.5
575.26373	31.2
576.25989	1.8
577.23676	1.5
585.24768	1.8
588.22931	1.9
603.25812	27.8
604.25934	2.6
605.24377	3.0
607.28485	1.7
619.25281	4.2
620.25940	9.8
635.28418	100.0
636.28357	4.0
643.45557	1.5
644.45532	2.5
647.25153	6.3
679.27545	15.6
679.47375	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	679.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12342	1.5
53.03947	3.1
55.01869	2.8
55.05515	21.9
57.03425	6.3
57.07075	11.0
61.02934	19.9
65.03935	2.9
67.05508	78.5
69.03423	4.3
69.07073	26.7
70.59054	3.1
70.59373	2.9
71.08635	4.0
73.02914	7.6
75.04494	2.3
78.38908	1.6
79.05492	21.4
81.03429	3.7
81.07063	100.0
83.04967	2.5
83.08620	18.9
85.02910	20.7
85.06561	2.9
91.03964	14.7
91.04960	2.5
91.05483	22.3
93.07056	27.4
95.04991	3.5
95.08611	77.7
97.02890	7.4
97.06535	6.7
97.10165	11.7
99.04462	1.8
99.08115	2.8
105.07019	13.8
107.08607	19.2
109.06495	2.3
109.10162	35.4
111.08115	4.4
111.11716	5.5
113.09639	3.1
117.07012	1.7
119.08597	15.8
121.10154	21.2
123.08032	2.6
123.11707	17.6
125.09656	3.3
125.13349	2.3
127.03900	5.9
131.08569	3.0
133.10124	16.3
135.08018	2.0
135.11656	9.2
137.09627	2.9
137.13211	8.2
141.12741	4.0
145.04907	8.8
145.10120	2.4
147.11693	9.8
149.13235	12.1
151.11304	2.3
151.14856	4.0
155.14299	3.2
161.09668	1.8
161.13254	12.4
161.19154	1.7
163.06013	6.0
163.14815	9.1
165.12720	2.0
165.16411	7.9
168.71233	1.6
169.10138	1.8
175.14896	11.1
177.16367	3.1
179.17972	5.9
189.16446	5.5
245.20068	2.0
245.22662	51.0
263.23703	74.6
295.47995	1.8
337.27411	58.3
355.28378	6.5
499.32385	5.0
679.54822	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	682.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68319	6.9
54.26315	6.5
55.05503	31.9
55.69744	7.7
57.03426	20.0
58.66969	6.3
58.98222	7.0
63.42152	7.8
67.05176	8.3
67.05506	100.0
69.07071	32.8
69.27589	57.1
71.04992	8.2
71.08640	15.7
74.05660	6.8
74.08251	7.0
79.05497	55.3
81.07059	70.4
83.08620	24.8
91.05475	38.2
93.07046	69.2
95.04992	14.0
95.08600	62.1
97.02952	7.2
97.06515	8.7
97.10116	10.7
97.42278	6.9
105.07022	37.9
107.08558	32.7
109.10170	37.7
117.07008	11.4
119.08569	23.4
121.10126	24.2
123.11719	10.3
125.09663	7.4
131.08530	16.6
133.10136	15.5
134.05954	8.5
135.11668	16.3
145.10159	13.5
147.11719	13.7
149.13245	18.9
152.62917	6.8
159.11674	17.8
171.11635	8.1
185.13136	9.0
227.12811	10.8
229.14343	22.4
261.22134	19.3
269.17465	26.2
277.21625	17.3
287.96844	7.2
335.25830	71.5
374.13739	7.1
489.35776	17.1
529.38757	54.6
560.23975	13.0
591.25409	13.3
611.46222	22.2
620.27167	8.2
629.47443	14.8
651.28149	64.7
682.43768	31.2
683.44733	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.5
53.05190	1.3
55.01870	11.4
55.05507	4.1
57.03437	5.4
61.02925	6.7
61.90232	1.3
65.03950	1.8
65.49408	1.3
67.05502	4.7
68.99794	5.5
69.03429	35.8
69.07070	2.3
69.35178	11.4
70.06598	4.3
71.01354	1.8
71.04991	5.3
73.02908	7.2
79.05495	18.0
81.03418	38.1
81.07062	10.4
83.04984	3.5
83.08636	1.3
84.08142	4.7
85.02905	89.8
87.00829	40.4
91.03963	2.6
91.05479	25.5
93.07046	92.0
94.07848	1.5
95.04965	5.6
95.08612	10.8
97.02894	39.8
97.06525	3.8
99.04452	19.5
103.03986	2.5
105.01870	38.6
105.04509	2.3
105.07034	9.7
107.04982	2.0
107.08594	100.0
108.08940	1.5
109.02882	47.7
109.06509	2.9
109.10165	4.1
111.04446	2.0
115.03942	1.8
117.01880	4.9
119.06091	2.5
119.08582	5.6
121.10200	2.6
123.04427	3.2
127.03916	74.9
129.01852	5.8
133.10112	4.5
135.11694	80.9
137.13275	3.3
143.08554	1.8
145.04948	31.4
145.06004	2.3
145.10223	1.7
147.02919	4.6
147.11742	1.8
153.12750	6.5
155.08577	1.4
159.02893	20.3
159.04112	1.9
159.11763	2.2
163.03877	6.3
164.04343	2.3
165.12746	2.4
175.11096	2.1
179.07045	1.3
181.04944	2.5
183.15030	1.5
189.03929	3.7
189.05573	1.7
213.03967	10.2
219.13960	1.8
225.12727	1.5
231.05003	26.1
243.13728	3.3
249.06119	4.5
259.09741	1.5
261.14877	2.1
261.73895	1.4
273.06091	7.2
339.07501	1.9
359.47318	1.4
365.15857	1.7
383.17059	3.1
398.70905	1.3
401.12787	1.6
418.20929	2.0
461.08969	2.7
524.29993	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	685.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.7
57.07084	1.0
61.32979	0.5
67.05517	5.6
69.07075	1.8
69.38472	5.1
71.08640	1.7
79.05503	2.6
81.07073	5.4
81.81772	0.5
83.08644	1.9
89.79207	0.6
91.05510	2.2
92.75155	0.6
93.07071	2.7
95.04971	0.9
95.08622	3.4
97.10178	1.0
105.07062	1.5
107.08619	1.4
109.06542	1.0
109.10170	2.1
119.08630	0.8
121.10178	0.8
123.08051	0.9
131.08635	0.8
132.70761	0.7
150.58864	0.7
151.11249	1.1
160.55634	0.6
179.14365	1.2
188.89337	0.6
247.69095	0.7
317.20908	4.7
331.26520	2.2
333.20218	1.3
335.21964	3.3
373.23682	3.0
391.24561	3.6
396.19223	0.7
405.30383	0.6
491.20996	0.8
573.48468	1.0
625.26624	3.0
685.46704	100.0
686.47064	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	686.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05516	12.9
57.03443	12.8
57.07073	1.7
57.26528	0.8
59.04991	3.0
61.02931	4.9
65.03937	2.4
67.05511	100.0
67.57669	0.9
67.90779	0.9
69.03428	1.2
69.07073	7.3
70.79628	1.2
70.79951	1.2
71.04984	2.8
71.58385	0.9
79.05054	1.4
79.05500	20.7
81.06581	1.9
81.07066	37.7
83.08634	8.6
85.02920	5.4
85.06548	3.2
85.81453	0.8
91.05484	14.0
93.07051	24.8
95.04976	1.4
95.08614	28.1
97.02889	3.3
97.06553	1.8
97.10172	1.5
99.08100	0.9
101.07593	0.8
105.07047	7.3
107.08603	13.7
109.06495	1.1
109.10165	74.4
110.10526	0.9
111.08088	2.9
113.09643	0.8
117.07038	2.8
119.08586	9.9
121.10158	11.9
123.11715	3.1
125.09655	1.9
131.08601	5.0
133.10153	4.9
135.11691	8.3
137.09682	2.9
137.13286	1.2
145.10086	4.1
147.11696	2.6
149.13307	4.7
155.10648	10.1
159.11725	4.1
161.13292	2.3
163.14798	1.8
171.11671	1.1
173.11746	15.7
173.13255	3.8
175.14783	1.1
177.16504	1.0
187.14754	1.6
225.14403	0.8
227.12823	3.5
229.14369	88.0
243.21123	5.1
261.22202	18.8
275.07825	0.9
277.21848	1.0
317.24857	2.4
320.06696	0.8
335.25824	72.3
336.26349	2.7
340.11121	1.0
397.31152	1.6
453.59225	1.0
471.34216	1.0
489.35812	60.1
490.36017	2.5
507.37112	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	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.05513	10.8
57.03445	12.5
57.07082	1.5
57.61081	0.7
59.05011	4.3
61.02915	3.8
63.62968	0.9
65.03934	2.5
67.05510	100.0
69.03431	0.9
69.07072	6.2
70.48048	2.2
71.04990	2.9
73.02924	1.0
79.05495	19.2
81.07063	36.6
83.08622	8.5
85.02911	4.2
85.06543	2.3
89.38793	0.8
91.03957	1.2
91.05485	14.3
93.07047	20.6
95.04985	1.1
95.08614	26.9
97.02925	1.2
97.06503	1.2
97.10181	2.2
105.06433	1.0
105.07055	6.0
107.08599	12.1
109.10163	77.4
111.08101	3.8
116.76955	0.9
117.07037	2.0
119.08588	10.6
121.10159	10.0
123.11705	4.0
125.09654	1.7
130.16626	1.0
131.08562	5.1
133.10155	4.7
135.11685	6.0
137.09637	3.2
137.13263	1.2
145.10121	4.1
147.11700	3.1
149.13278	4.9
155.10680	9.4
159.11707	4.2
161.13255	1.9
163.14806	2.1
173.11771	18.5
173.13277	2.4
175.14905	1.5
177.12787	1.0
187.14920	1.6
189.11107	1.1
227.12776	4.9
229.14371	93.8
230.14682	1.1
232.89255	0.8
243.21126	4.7
261.22171	15.9
317.24832	2.9
333.66464	0.8
335.25809	60.9
336.26089	1.9
397.31000	1.8
489.35770	35.7
490.36069	1.8
507.36932	2.7
638.42169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05507	4.9
55.52851	1.2
57.07083	37.1
67.05492	4.3
69.07072	6.7
70.59151	2.9
71.08642	28.5
73.04801	0.9
73.06565	9.3
79.05471	1.9
79.63348	0.9
81.07061	5.4
83.08633	5.8
85.09660	1.1
85.10191	20.3
87.04482	8.1
89.06040	100.0
91.05470	1.2
91.07581	1.0
93.07052	1.6
95.08611	3.0
97.10177	7.3
99.11708	3.0
105.07053	1.4
107.07047	2.5
107.08614	1.4
109.10166	2.1
111.11718	3.5
113.13275	1.9
117.09151	8.7
121.10126	1.6
123.08062	1.0
125.13256	1.9
127.14829	1.7
130.08636	3.4
131.07040	2.5
133.08618	52.2
135.10172	1.7
141.16406	2.8
161.11749	2.8
175.09619	2.0
177.11244	23.6
187.39012	1.0
211.24234	2.3
221.13878	4.1
239.14992	1.1
255.26880	2.3
283.17566	1.3
299.29550	6.1
327.20132	1.1
343.32101	3.0
371.23038	1.6
424.02277	1.1
459.27924	2.2
669.50922	3.2
686.44983	4.8
687.47528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14525	0.9
56.96569	12.8
59.39131	0.7
64.31585	0.8
64.41471	0.8
69.36391	2.8
69.36818	4.3
70.06598	1.5
84.96046	3.9
85.02921	2.0
88.74016	1.0
98.97589	100.0
99.00723	0.9
110.97568	8.8
112.99138	2.1
116.98624	38.9
128.98598	10.2
131.00194	2.8
134.99681	7.6
140.00238	1.3
143.00194	1.6
144.98131	1.8
146.99670	3.2
152.98714	1.1
155.03897	1.3
158.99661	24.6
161.01245	2.6
163.02756	1.2
163.03949	1.1
170.99644	3.8
173.01305	0.8
173.04877	8.5
175.06465	1.3
177.00725	14.3
182.99643	0.9
189.00717	2.9
189.04315	1.8
191.05898	13.1
197.04855	4.8
199.06490	1.6
201.00688	4.6
201.04294	4.8
209.06931	2.4
215.05940	13.8
217.07520	3.0
219.01772	34.6
219.05347	2.8
225.04323	3.9
229.07405	1.0
233.06972	5.9
237.02837	41.2
243.05380	11.8
247.08626	1.1
251.05855	1.7
255.03818	1.3
257.06985	5.3
261.02878	1.0
261.03543	1.1
261.06512	13.0
269.07187	1.0
275.08264	1.1
279.04578	1.1
279.07605	4.9
289.06076	1.7
299.08029	1.4
303.07584	2.7
307.06931	1.2
317.09030	12.1
335.10129	18.1
345.08630	4.8
363.09625	61.2
381.10709	85.7
382.10727	1.3
404.12323	5.0
423.11911	1.1
481.15924	1.8
525.18817	18.1
641.23242	3.1
687.23767	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	687.481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
67.05522	5.3
69.07089	1.3
71.55373	0.8
72.86875	0.6
74.95988	0.7
79.05510	2.7
81.07065	5.2
83.08598	1.0
91.05524	1.6
92.60991	0.6
93.07055	2.7
95.08615	3.8
105.07069	1.1
107.08617	1.4
109.10162	1.8
115.33847	0.6
117.07026	1.0
119.08577	0.7
121.06527	0.7
131.08624	0.8
236.84537	0.7
289.21805	0.7
335.21991	7.2
353.22922	0.9
375.25198	0.8
391.24753	3.2
401.72122	0.6
415.19373	0.7
687.48114	100.0
688.48419	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	688.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.73659	0.6
55.01873	4.7
55.05515	9.7
56.76210	0.6
57.03445	7.6
59.04998	1.8
61.02925	3.0
67.05502	7.7
69.03429	1.0
69.07067	2.2
70.70062	1.7
71.01357	1.0
71.04985	2.2
73.02920	1.0
79.05499	12.3
79.57032	0.5
81.03426	7.2
81.07061	10.3
83.01344	5.8
83.04987	9.0
83.08626	7.6
85.02911	4.8
85.88265	0.6
86.05197	0.6
91.03938	0.7
91.05488	7.6
93.06474	1.1
93.07050	17.5
95.04979	5.0
95.08613	4.1
97.02885	2.6
97.06536	2.9
99.04440	2.2
105.07038	6.5
107.04954	4.7
107.08595	9.8
109.06530	4.1
109.10178	0.8
111.04453	2.1
111.08105	0.7
117.07018	4.4
119.08614	5.5
121.06509	2.8
121.10152	4.6
123.08070	6.2
124.03675	0.6
125.05986	1.3
125.09669	1.3
129.07004	1.4
130.07776	1.1
131.08562	1.8
133.10136	1.5
135.08109	1.1
135.11700	8.9
137.09590	1.1
143.08553	1.1
145.06410	0.8
145.10138	11.7
147.08005	1.1
147.11609	0.8
153.12759	2.3
155.08595	0.9
159.06776	0.6
163.11194	18.1
173.09637	2.0
181.12250	2.5
191.10690	1.7
209.11765	5.2
223.26665	0.6
227.12755	3.1
283.15417	100.0
284.15799	1.6
491.26465	44.2
492.26422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01874	4.8
55.05516	9.1
57.03446	5.9
57.07061	0.6
59.04981	1.1
61.02898	1.7
65.03937	0.7
67.05512	9.4
69.03407	1.2
69.07066	4.2
70.45557	1.4
70.45913	0.8
71.04995	2.8
71.46526	0.5
73.02897	1.2
77.03891	0.4
79.05501	17.5
81.03425	6.7
81.07064	14.1
83.01360	3.9
83.04563	0.5
83.04985	6.3
83.08631	8.2
85.02917	3.4
91.05485	9.9
93.07056	25.0
95.04988	5.5
95.08617	19.2
97.02913	3.6
97.06548	3.8
97.10150	0.8
99.04478	2.6
99.43128	0.5
103.05435	0.6
105.07048	7.0
107.04954	6.9
107.08601	17.7
109.06523	3.8
109.10170	1.4
111.04436	1.6
111.08080	1.2
115.05441	0.5
117.07030	7.3
119.07809	0.5
119.08596	7.8
121.06516	4.0
121.10162	9.0
123.08083	4.5
125.05963	1.7
129.06996	0.9
130.07788	1.2
131.08540	2.0
133.10095	1.9
135.08054	1.6
135.11708	27.8
137.09590	0.6
137.58678	0.5
139.07530	0.9
140.67796	0.5
143.08522	1.2
145.06445	1.3
145.10139	20.5
145.11287	1.2
147.04402	0.8
147.08063	0.8
149.09578	0.8
153.12682	1.5
163.11198	42.6
173.09598	1.6
181.12247	6.6
191.10666	1.2
209.11713	4.9
227.12805	37.0
256.19196	0.7
267.15955	1.3
283.15424	100.0
284.15714	1.9
473.25217	0.7
481.85947	0.5
491.26456	81.4
492.26883	2.5
520.34106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.05267	1.1
55.05518	15.4
57.03445	13.4
57.07080	2.3
57.36647	1.1
59.05008	3.7
61.02943	4.5
65.03944	2.2
67.05515	100.0
69.03460	0.9
69.07078	15.8
70.78654	1.0
70.78984	2.1
70.91419	0.8
71.05002	2.7
71.08636	1.0
73.02923	1.6
79.05511	11.7
81.07070	41.3
83.08631	13.2
84.65220	0.8
85.02916	3.8
85.06538	3.1
85.10195	1.0
91.03970	1.9
91.05493	7.7
93.07066	11.0
95.05003	1.3
95.08616	29.8
97.02916	1.8
97.06533	2.0
97.10166	5.3
98.98395	0.9
99.08094	1.3
105.07060	4.2
107.08600	6.4
109.10174	76.5
111.08118	4.5
119.08591	8.5
121.10179	5.3
123.11732	4.9
125.09659	1.6
133.10153	3.2
135.11720	2.5
137.09639	3.8
137.13249	1.6
147.11708	2.8
149.13203	1.1
155.10684	6.9
161.13246	1.9
173.11740	14.3
175.14836	1.0
177.11256	1.0
184.93947	0.9
206.81673	0.9
227.12813	1.2
229.14381	87.3
245.22684	2.9
262.22131	0.8
263.23752	4.6
273.70172	0.9
337.27411	71.0
338.27719	1.6
491.37393	73.1
492.37741	2.1
509.38251	1.4
538.86084	0.9
549.15497	1.0
599.21643	0.9
684.19635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05268	1.0
55.05518	13.5
57.03445	10.7
57.07074	3.0
59.04998	3.2
61.02936	3.7
62.72886	0.7
65.03947	1.5
65.41701	0.8
67.05514	91.4
69.03439	2.1
69.07077	11.2
70.78742	1.4
70.79073	1.0
71.04993	3.1
71.08620	0.7
73.02934	1.4
79.05510	9.6
81.07069	36.6
83.05018	1.4
83.08631	11.3
85.02905	2.5
85.06543	3.3
86.09710	1.1
91.03950	1.5
91.05502	7.4
93.07052	10.5
95.04988	1.3
95.08618	25.0
97.02875	1.5
97.06526	2.0
97.10200	4.3
99.08105	1.7
105.07026	3.1
107.08624	5.1
109.10170	70.0
109.68766	0.8
111.08068	3.8
111.11763	0.8
114.85371	0.8
119.08596	7.7
121.10147	3.7
123.11731	3.2
125.09611	1.4
133.10121	2.6
135.11713	1.7
137.09642	2.7
137.13231	1.5
147.11664	2.5
149.13228	1.2
155.10725	7.2
165.12851	0.8
173.10278	0.8
173.11760	16.1
175.14868	1.5
184.07420	3.8
220.99596	0.8
227.12938	1.3
229.14377	100.0
230.14592	1.2
245.22696	1.4
263.23758	4.8
317.08566	0.8
337.27408	67.1
338.27972	1.4
417.33606	1.1
491.37350	49.5
492.37640	2.5
509.38620	1.1
688.47955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01881	1.6
55.05512	7.3
57.03432	3.0
57.07063	0.9
60.84225	0.6
65.03943	2.1
67.05167	1.3
67.05509	18.8
69.03448	3.5
69.07068	4.7
69.40714	2.8
69.41121	2.0
71.01350	1.1
71.04987	1.4
79.05054	1.4
79.05497	19.6
81.03423	13.3
81.07063	17.8
83.04985	2.6
83.08616	3.2
83.18550	0.7
85.02908	3.8
85.06559	1.0
91.05492	13.8
93.07047	13.7
95.04979	16.2
95.08611	11.7
97.02918	3.0
97.06532	1.9
97.10175	2.6
99.04454	0.8
103.03970	1.6
103.05462	1.0
105.04536	0.8
105.07040	10.1
107.04968	4.6
107.08606	7.5
109.02882	3.8
109.06554	1.9
109.10164	5.1
111.04475	2.2
111.08095	1.1
115.05443	1.0
117.07014	3.8
119.04976	1.1
119.08600	8.1
121.06508	2.4
121.10157	7.0
123.04440	7.3
123.08050	1.7
123.11778	1.0
125.09641	1.5
127.03928	1.6
128.06241	1.5
129.06999	3.3
131.04948	1.2
131.08568	6.9
133.06526	2.2
133.10124	4.6
135.08069	1.9
135.11705	4.3
137.09644	0.8
141.07033	1.0
143.08615	2.2
145.06511	2.3
145.10132	5.8
147.04459	3.0
147.08052	2.1
147.11655	4.3
149.05971	1.4
149.09636	1.6
149.13263	1.1
153.09171	1.2
155.08636	0.7
157.06572	0.9
157.10187	2.8
159.08084	0.7
159.11716	2.9
161.06015	2.0
161.09782	0.8
161.13239	0.8
163.03941	1.1
163.11218	3.3
167.08600	0.7
169.10089	1.4
171.11703	2.5
173.06023	1.4
173.09601	1.0
173.13338	1.5
175.11234	1.2
177.12727	1.1
181.10202	1.0
181.24585	0.6
183.11752	0.9
187.14798	1.0
189.05469	1.2
189.12770	2.0
191.10765	1.0
193.12286	2.4
197.13300	1.1
205.12170	1.1
207.13837	1.0
211.11581	0.9
211.13187	3.6
211.32530	0.7
213.09293	0.6
223.11421	0.9
223.13367	1.6
235.13219	9.2
249.14824	1.1
259.13284	2.5
259.20563	1.1
261.22159	2.2
267.16003	0.9
273.14954	3.2
277.14496	1.5
289.14508	1.0
301.14502	4.8
309.17221	0.9
319.15622	1.8
335.25922	7.3
355.15536	1.0
369.24454	1.0
375.18039	2.0
384.12350	2.0
385.14066	2.2
397.12985	2.1
398.13837	8.7
399.14554	5.3
400.16367	7.6
401.16925	0.9
411.14621	2.4
411.19739	1.5
412.15405	9.3
413.16187	12.0
414.17001	1.2
416.14871	2.7
418.17621	1.9
425.16617	1.5
426.17752	3.3
427.17834	12.2
428.18713	12.9
429.19168	2.2
430.17545	0.8
437.28983	0.9
440.14523	1.0
441.14752	3.2
443.13443	0.9
444.14337	1.6
445.19220	1.3
455.17157	46.1
456.17722	6.2
457.15283	3.1
458.15839	7.7
459.16760	4.9
468.18442	0.8
469.14667	1.8
471.16727	3.7
472.18063	3.2
473.18460	1.4
483.16714	38.9
484.17197	1.6
485.14243	0.9
486.19409	4.0
487.19745	6.7
495.16772	1.6
497.18375	1.3
499.16254	1.4
500.16913	1.1
501.17578	1.8
509.18259	1.2
513.18268	1.1
515.19232	4.8
516.20026	2.2
523.15955	3.8
527.15216	7.5
527.37457	1.8
537.17743	1.3
538.18097	1.0
541.21027	1.9
555.18964	3.3
569.20203	2.0
569.38397	2.2
570.20746	4.9
573.23810	0.8
574.24268	15.3
575.24371	0.8
587.21802	3.8
597.19727	1.2
601.23071	10.2
602.23798	100.0
603.23865	5.9
611.38995	1.1
612.22424	1.0
629.22491	25.0
630.22839	3.1
633.26093	4.6
635.39343	1.4
643.24011	3.9
653.40460	2.6
657.21844	17.4
661.25153	6.3
671.41370	1.9
689.24640	8.6
689.42078	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	689.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.05516	1.0
57.03432	0.7
57.07091	1.1
60.11159	0.6
67.05515	4.2
69.03431	1.0
69.07074	1.3
79.05486	3.5
81.03436	2.7
81.07065	4.0
83.05002	0.9
83.08640	1.3
85.10152	0.6
89.06045	1.8
91.05494	2.9
93.07076	3.4
94.88217	0.6
95.04987	1.8
95.08633	2.8
97.06502	0.7
97.10160	0.6
98.21471	2.2
105.07045	2.3
107.08615	1.2
109.10168	1.6
117.07045	0.9
119.08597	2.1
121.10156	1.3
124.99999	0.9
131.08569	1.5
135.11682	0.6
145.10216	1.3
147.11755	0.8
149.09621	1.0
154.53288	0.6
163.11288	1.4
184.07408	2.3
193.12384	0.8
193.82243	0.7
210.47215	0.7
335.25815	1.2
384.12344	3.1
385.13196	6.9
386.14307	1.4
387.14877	0.7
397.13251	2.0
398.13919	8.7
399.14594	16.1
400.15527	21.6
401.16428	1.6
411.14746	2.2
412.15378	9.6
413.16162	19.7
414.16971	10.7
416.14844	1.5
417.15454	1.1
418.17908	1.7
424.15594	1.3
425.16544	1.1
426.17764	3.1
427.18286	15.1
428.18701	17.7
429.19501	13.1
440.14392	1.4
441.14862	6.6
442.16464	13.1
443.16971	0.8
444.13992	1.5
446.17395	2.2
453.16174	0.8
454.16583	1.2
455.17230	33.0
456.17941	15.4
457.14978	0.9
457.18622	1.0
458.15836	3.5
459.16714	4.2
460.17569	1.1
469.14072	1.2
469.19659	1.6
471.16660	2.0
472.18011	1.9
473.18570	1.3
481.15292	2.1
482.15607	1.1
483.16711	26.5
484.16132	3.4
485.15094	0.6
485.16650	0.6
486.19110	2.2
487.16196	2.7
487.20859	0.9
488.16666	2.0
495.16931	2.0
496.17664	1.1
499.15982	7.1
500.16669	1.9
509.15305	0.8
511.20383	3.2
513.13831	1.1
515.19379	2.3
516.19910	1.3
523.16083	2.4
527.15625	27.9
527.37109	1.1
528.16016	8.7
537.17590	1.3
538.18390	0.9
539.19379	11.6
540.19781	1.0
541.20911	0.8
542.21637	1.0
543.22546	16.1
555.18805	1.2
569.19849	1.1
571.21954	100.0
572.22253	6.0
573.19733	0.9
574.24274	6.4
586.20642	1.2
587.21271	2.4
601.23242	7.8
602.23779	33.6
603.23859	1.3
614.20642	1.3
615.21161	3.7
617.26154	2.4
629.22534	28.3
630.22888	26.6
631.22839	2.1
633.25403	1.9
643.23767	1.7
657.21991	60.4
658.22363	3.9
661.25433	3.6
689.24719	18.5
689.41193	2.5
690.24310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.9
53.03958	14.1
55.01620	1.4
55.01871	6.6
55.05264	2.2
55.05515	30.8
57.03436	12.0
57.07074	2.4
58.65041	1.4
59.04998	1.3
62.02628	1.4
65.03940	6.6
67.05507	72.3
69.03435	34.7
69.07076	18.7
71.04984	12.4
71.08647	1.7
73.02896	1.7
73.76053	1.4
77.03938	2.6
79.05497	67.7
81.03421	100.0
81.07058	71.3
83.04984	21.4
83.08624	27.5
85.02901	18.3
85.06535	1.8
91.05483	62.1
93.07047	62.1
93.07636	2.5
94.14720	1.6
95.04978	29.0
95.08611	44.5
97.02902	19.3
97.06524	8.4
97.10173	6.2
99.04453	10.1
101.02399	1.7
103.03943	1.8
103.05492	2.1
105.07036	48.1
105.42333	1.7
107.04961	8.1
107.08602	31.3
107.09295	2.4
109.02884	19.6
109.06551	5.6
109.10152	16.5
109.10731	1.6
111.04455	11.3
111.08057	8.8
113.06025	2.2
115.05443	4.9
117.07021	15.8
119.04979	2.0
119.08587	36.9
121.06526	4.9
121.10146	26.9
123.04484	3.7
123.08098	4.3
123.11742	7.8
125.09647	2.8
127.03939	13.6
128.06245	5.8
129.05522	2.7
129.07005	19.5
131.04892	1.7
131.08562	27.5
133.06505	4.4
133.10136	20.4
134.86284	1.6
135.08084	4.6
135.11719	14.3
137.09677	5.2
141.07039	4.1
142.07755	3.7
143.08598	8.5
145.06493	3.4
145.10143	19.0
147.08093	5.4
147.11685	23.7
149.05928	1.6
149.09641	9.5
149.13293	6.0
151.11189	2.5
153.12769	3.6
155.08580	5.0
157.10117	19.6
157.11089	1.7
157.41689	1.6
159.08075	3.5
159.11690	14.0
161.09657	3.5
161.13321	5.2
163.11249	5.8
163.14842	2.8
165.12715	8.0
167.08546	2.7
169.10181	5.9
171.08110	2.7
171.11751	6.0
172.12134	1.4
173.04515	4.3
173.09663	2.6
173.13297	6.7
175.11211	13.4
181.10161	2.3
181.12241	2.9
183.11688	4.2
184.07321	1.8
185.09698	2.8
185.13223	7.4
187.11176	1.7
187.14899	3.4
189.12798	1.9
191.10681	4.3
193.12256	50.3
195.11717	2.6
197.09766	2.4
197.13347	3.0
199.11052	1.9
199.14925	4.8
207.11890	1.7
207.13864	2.0
209.13353	2.3
211.13274	66.4
213.12903	2.8
213.16438	1.9
222.28812	1.6
227.12840	5.5
229.14360	3.4
241.19576	2.2
249.14777	2.4
255.13823	2.2
259.20752	2.1
261.22168	8.6
267.15942	9.9
277.21799	3.1
285.16974	9.0
301.21835	1.9
317.24551	1.9
327.23297	3.9
333.24365	2.2
335.25833	15.0
337.16473	3.4
351.23215	2.7
355.17691	9.8
357.24371	2.4
369.24219	8.1
387.25372	6.5
405.26663	2.8
411.20441	4.8
435.32690	1.8
438.68689	1.5
443.28107	3.1
461.29004	2.2
527.37268	9.2
545.38110	9.2
569.62384	2.0
615.37903	1.8
653.40192	6.3
671.41455	6.8
689.42560	67.6
690.42621	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	690.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01858	4.6
55.05513	14.8
57.03445	11.3
61.02920	3.4
65.03938	1.3
67.05181	1.8
67.05511	23.3
69.03427	5.6
69.07082	8.6
71.04981	4.3
73.02916	2.4
79.05062	1.8
79.05500	31.8
81.03425	40.6
81.07061	31.0
83.01305	1.4
83.04983	15.5
83.08624	20.7
85.02425	1.6
85.02910	19.7
85.06536	1.8
91.05491	25.3
93.07049	36.4
95.04975	19.9
95.08611	31.8
97.02888	5.1
97.06562	6.5
97.10142	3.5
99.04453	3.6
105.07037	17.5
107.04964	12.3
107.08610	24.3
109.06519	4.8
109.10136	3.2
111.04451	2.5
111.08099	5.8
113.05977	2.2
116.10695	2.0
117.07055	7.7
119.07801	1.4
119.08586	18.4
121.06507	3.9
121.10158	15.3
123.08066	3.5
123.11690	1.5
125.05994	1.9
125.09676	1.0
126.36791	1.1
127.65302	1.1
129.07037	7.8
130.07779	1.6
131.08562	7.0
131.94974	1.1
133.10129	8.0
135.08038	2.6
135.11707	41.7
137.09520	2.1
139.07487	1.8
142.07808	2.3
143.08488	1.6
145.10135	25.1
147.07997	3.4
147.11725	8.2
149.09610	4.5
157.10107	8.0
157.53474	1.2
163.11195	46.5
165.12770	2.5
175.11209	7.7
181.12265	8.1
193.12265	23.6
207.97878	1.3
209.11775	3.0
211.13313	38.3
224.47476	1.2
227.12793	55.6
265.14383	1.2
267.09152	1.1
267.15945	22.1
283.15421	64.2
285.16998	50.6
285.20169	2.5
328.24707	3.1
345.15738	1.3
475.27005	24.4
493.28012	100.0
494.28244	3.3
593.60663	1.2
690.31622	5.1
695.58063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
53.08311	0.4
55.01877	6.1
55.05515	16.1
57.03191	0.8
57.03444	13.2
57.07064	1.1
57.64450	0.5
59.04994	2.1
61.02935	4.0
65.03940	1.0
67.05508	18.0
69.03426	2.7
69.07072	5.5
69.65961	3.2
71.05001	4.7
72.77515	0.5
73.02919	1.3
73.63898	0.6
74.21576	0.6
75.12984	0.5
79.05501	22.8
81.03425	43.7
81.07062	21.3
83.01356	4.6
83.04986	16.0
83.08624	20.1
85.02909	17.4
85.03303	0.4
85.03425	0.7
85.06551	1.2
91.03955	1.9
91.05486	23.5
93.07050	22.2
95.04977	18.5
95.08612	9.5
97.02896	5.0
97.06541	4.3
97.10174	3.2
99.04456	1.8
99.08096	1.1
105.07036	16.8
106.38101	0.6
107.04959	8.0
107.08606	9.6
109.02874	0.7
109.06532	8.0
109.10167	3.0
111.04455	3.3
111.08092	7.5
111.20536	0.6
113.06023	1.6
115.05438	1.6
117.07015	5.1
118.69425	0.6
119.08587	16.1
121.06497	2.8
121.10147	10.8
123.08077	6.9
123.11728	1.0
125.06043	1.3
125.09628	1.7
127.03959	0.8
129.07011	7.2
130.07790	1.0
131.08591	7.0
133.06477	2.0
133.10146	7.1
135.08057	1.5
135.11705	7.4
137.09610	2.0
139.07607	0.6
142.07787	1.6
145.10139	11.1
147.08070	2.5
147.11696	8.0
149.09642	3.7
153.12773	2.2
155.08604	1.1
157.10147	7.8
163.11201	15.5
165.12784	1.8
173.09631	2.3
175.11177	8.6
181.12299	2.3
191.10655	2.2
193.12260	26.2
209.11662	4.2
211.13300	42.2
227.12804	4.3
249.14981	1.1
265.14441	0.6
267.15921	10.0
283.15414	58.6
284.15781	1.4
285.16986	31.5
383.22205	3.1
401.23343	1.3
426.78647	0.6
457.25681	3.6
475.27014	16.0
483.74332	0.6
493.27985	100.0
494.28442	3.3
586.28925	0.8
597.95148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91090	0.6
56.96564	6.0
69.56940	4.3
71.95272	0.7
84.96048	2.6
85.02908	2.0
97.02884	1.1
98.97588	26.5
104.92999	0.6
110.97585	10.2
110.98318	1.0
112.76641	0.7
112.99141	2.3
116.98624	7.9
128.98604	8.5
129.02261	0.7
131.00206	1.8
134.99684	1.5
136.06230	0.7
137.56186	0.8
139.00644	1.0
140.98616	1.5
143.00175	3.2
144.98117	1.7
146.99637	3.0
152.98608	1.7
156.40971	0.7
157.01720	4.6
158.99661	6.7
161.01242	4.8
162.29340	0.8
169.01675	0.8
170.99675	6.8
174.87558	0.6
175.02803	10.6
177.00703	4.2
181.39214	0.8
182.99588	1.9
187.02780	4.0
189.00752	4.2
193.03906	2.8
199.02805	2.9
201.00716	11.5
203.02267	1.5
205.03882	9.6
207.01889	1.0
217.03856	5.1
219.01781	43.5
221.05090	1.4
223.04951	2.2
229.03792	1.3
231.05453	1.7
235.02798	1.8
237.02834	37.6
243.01772	2.2
243.05554	1.2
247.04861	3.5
253.03807	1.5
255.03960	1.9
259.04907	0.9
260.03882	0.9
261.02893	6.7
273.06561	1.2
275.00989	1.2
275.04211	0.8
279.03918	2.9
283.04938	2.1
289.05948	1.1
291.04117	1.1
291.07367	1.1
293.01852	1.4
301.05988	12.1
302.05667	0.7
319.07031	6.6
321.04977	3.1
331.07013	41.4
340.07468	1.5
349.08063	88.6
350.08508	1.4
367.09021	2.2
372.09634	2.7
391.09143	100.0
392.09531	2.2
399.08176	1.5
403.09128	3.6
409.10327	1.3
421.10196	2.9
445.09753	0.8
451.11246	3.4
475.11365	1.4
493.12479	4.9
511.13318	2.0
579.93134	0.8
673.18481	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.05525	1.8
57.03435	0.7
57.53569	0.2
67.05492	0.5
68.99789	0.4
69.03407	0.3
69.07063	0.3
69.24995	2.1
70.06596	0.4
71.01371	0.3
71.05000	5.8
75.04485	0.3
79.05463	0.4
81.03417	0.5
81.07069	0.4
83.04979	0.5
85.02917	7.2
86.09753	0.3
86.42137	0.2
87.04454	0.2
91.05488	0.3
93.07030	0.6
95.08592	0.3
97.02887	0.4
97.06530	0.8
98.84673	0.2
99.36801	0.2
105.07023	0.3
107.08579	0.2
109.02924	0.3
111.00707	0.3
111.04419	0.5
117.03378	0.3
119.08644	0.2
119.47569	0.2
121.10209	0.2
127.03925	0.4
128.37505	0.2
129.05498	1.6
129.07025	0.4
135.04393	0.2
139.03922	1.8
143.05009	0.4
143.08597	0.6
145.02843	0.4
147.04456	0.6
147.06497	0.3
148.48642	0.2
153.01846	17.1
155.00050	0.3
155.08572	0.4
161.02353	0.4
161.05988	0.7
163.03932	2.8
167.07039	1.4
171.08058	0.8
173.02402	0.3
177.05466	0.4
179.03326	0.3
187.07472	0.4
189.05518	0.4
189.09100	0.5
195.07977	0.3
201.09023	0.3
211.07570	0.4
213.09116	0.5
215.07028	0.4
231.10135	0.3
237.05472	0.5
253.04987	1.0
257.04501	0.8
257.12888	0.3
258.05298	2.5
259.09595	0.7
265.04968	2.7
267.06647	0.4
269.04553	0.6
281.04517	2.1
282.05142	0.7
283.05957	0.3
285.03802	0.4
286.04742	7.5
287.05304	1.6
293.04514	0.7
294.05365	0.3
295.06033	1.9
297.03958	2.4
298.04807	0.6
299.05490	1.6
307.06204	0.4
309.03918	1.3
310.04684	1.6
311.05521	13.9
313.03564	1.6
323.05569	5.6
324.06348	0.4
325.07422	0.3
327.04947	2.5
339.08804	0.3
347.08975	0.4
353.10233	0.6
355.11853	3.9
365.10327	3.0
383.11285	100.0
384.11624	2.0
464.88678	0.3
529.20605	0.3
545.16644	17.8
546.16992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.05504	0.9
57.03438	0.6
67.05521	0.9
69.07078	0.4
69.28851	2.5
69.29256	0.9
79.03506	0.4
79.05502	1.6
81.03426	2.0
81.07059	1.1
82.68855	0.4
83.04972	0.5
83.08623	0.5
85.02928	0.4
85.06566	0.4
85.38770	0.4
91.05473	1.6
93.07047	1.5
94.07326	0.4
94.84531	0.4
95.04971	1.4
95.08621	0.7
97.02924	0.4
97.06523	0.5
105.07037	0.9
106.07365	0.5
107.04967	0.5
107.08595	0.8
109.06527	0.4
109.10171	0.4
111.04449	0.9
114.74059	0.4
117.07030	0.4
119.08602	0.8
121.10184	0.6
126.08668	0.4
129.94829	0.4
135.11687	0.6
145.10133	0.5
147.04419	1.0
150.81419	0.4
157.10252	0.4
163.03955	0.6
163.11205	1.4
164.11624	0.5
193.12265	1.0
211.13429	0.7
227.12881	0.6
248.62103	0.4
259.09656	0.6
267.15918	0.9
268.16165	0.5
283.15402	2.1
284.15820	0.9
289.13907	0.4
400.15585	1.3
401.16171	0.5
403.18164	0.5
412.15765	0.4
413.16254	0.5
414.17133	0.8
416.14948	0.8
427.18250	0.7
428.14645	1.0
429.15707	1.7
430.16269	2.4
431.17117	1.1
442.16431	0.6
443.17218	3.0
444.18570	2.2
446.19568	0.4
453.15396	0.7
455.17453	0.6
456.13815	0.8
457.19144	3.7
458.19751	1.8
459.21121	2.3
467.17462	0.8
469.19409	0.7
470.11514	1.9
471.16165	0.6
473.18484	0.5
475.27161	0.5
476.27377	0.8
483.13022	1.3
483.17529	0.8
484.13333	5.2
485.14355	1.2
485.18472	1.5
487.20020	0.5
493.28107	1.3
494.28439	3.1
496.17749	0.6
497.14792	1.5
497.18704	1.3
498.14890	2.4
499.15829	2.9
511.16043	3.1
512.17059	4.4
513.17676	7.8
514.18512	3.4
523.15967	3.1
525.17645	2.8
526.18549	1.2
527.19751	2.5
529.21149	0.7
530.21161	0.6
539.15747	1.2
543.19019	0.5
544.19128	1.1
545.23981	1.5
553.17047	0.5
555.19452	0.9
571.18732	1.2
573.24207	2.4
585.19836	0.5
599.21539	1.6
600.22192	3.4
601.22992	9.0
602.21234	1.1
614.23602	0.4
615.25183	0.5
617.22699	1.3
631.24414	0.7
632.24957	0.9
659.23883	0.5
660.24310	0.5
661.21906	0.8
673.23828	0.6
676.23523	1.1
691.26135	100.0
692.26483	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	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05507	1.5
55.61932	0.4
57.03441	2.5
59.04997	0.4
61.02933	5.2
67.05173	0.6
67.05509	8.7
69.03442	2.8
69.07060	0.6
70.93890	1.2
71.05010	0.8
73.02922	3.6
79.05494	2.6
81.03410	1.8
81.07079	3.2
83.04984	0.7
83.08620	0.7
85.02911	5.2
91.03952	2.4
91.05476	1.7
93.07056	2.7
95.08602	2.3
95.85775	0.4
97.02892	4.0
99.04485	1.1
101.02394	1.6
105.07055	0.7
107.05019	0.5
107.08596	1.6
109.02888	0.9
109.10156	7.3
118.35065	0.5
119.08586	1.2
121.10147	1.2
121.29040	0.4
127.03926	1.8
133.10158	0.8
135.11710	0.5
155.10721	0.9
173.11766	1.5
185.04219	0.7
229.14458	1.1
243.08437	1.5
336.34918	0.4
413.17902	8.4
519.29486	4.4
519.36505	0.7
691.40295	100.0
692.40527	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	691.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.32441	0.4
55.01867	0.5
55.05516	1.6
57.03436	2.0
60.12595	0.3
61.02638	0.5
61.02930	6.0
65.47087	0.3
67.05507	7.6
69.03431	3.4
69.07079	1.1
69.94485	1.4
71.01355	0.4
71.05024	0.5
73.02920	2.9
73.18668	0.2
77.03886	0.3
79.05510	2.7
81.03417	2.0
81.07061	4.3
83.05001	0.4
83.08612	1.1
85.02913	4.3
91.03963	4.3
91.05498	1.5
93.07047	3.7
95.04977	0.4
95.08612	3.3
97.02898	4.5
97.10196	0.3
99.04466	0.7
101.02382	1.6
103.03969	0.6
105.07037	0.8
107.08595	1.8
109.02889	0.8
109.10162	4.6
111.04437	0.3
111.08129	0.3
111.74448	0.3
115.03942	0.4
119.08590	1.1
121.09412	0.3
121.10170	1.2
123.11694	0.5
127.03914	1.3
131.08598	0.6
133.10155	0.8
135.11736	0.6
145.04884	0.4
145.10132	0.9
147.11711	0.6
149.13264	0.3
155.10707	0.6
159.11684	0.4
173.11824	0.8
173.13266	0.4
185.04184	0.5
195.09924	0.8
229.14432	0.5
243.08456	1.5
292.10733	0.3
335.25818	0.5
344.92487	0.3
413.17783	4.9
519.29498	8.7
519.36786	0.7
530.09735	0.3
691.40302	100.0
692.40649	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.6
53.03944	2.4
55.05516	19.8
57.03442	16.2
57.07082	0.9
59.05010	0.8
61.02938	4.9
65.03929	2.1
67.05509	31.5
69.03436	6.4
69.07073	8.1
69.36025	0.4
71.01355	0.9
71.04999	6.2
71.55225	0.7
71.55610	0.7
73.02927	1.8
76.30432	0.4
77.03917	0.5
79.05499	33.8
79.73472	0.5
81.03426	95.1
81.07066	36.0
82.03760	0.7
82.07427	0.5
83.04990	21.6
83.08629	34.3
84.16294	0.4
85.02914	37.1
85.06548	2.9
87.04455	0.7
90.80392	0.4
91.03961	2.0
91.05489	46.1
92.05806	0.6
93.07054	21.9
94.30243	0.4
95.04977	35.9
95.08612	14.7
97.02901	6.8
97.06541	5.8
97.10175	6.0
99.04478	0.6
99.08089	1.6
101.25508	0.5
102.82062	0.4
103.05450	0.6
105.04544	1.0
105.07043	31.8
107.04961	9.9
107.08609	9.7
109.02885	0.5
109.06543	6.0
109.10158	3.5
111.04441	3.4
111.08089	15.0
113.06026	4.2
115.05453	2.5
117.07030	3.2
119.04918	0.7
119.08591	26.3
121.06510	2.1
121.10159	11.7
123.08082	4.0
123.11712	2.0
125.09609	2.6
127.03938	0.9
127.07542	0.6
128.06221	0.6
129.05545	0.8
129.07018	16.7
131.08582	17.5
133.06496	4.1
133.10138	17.2
135.08043	0.6
135.11737	0.8
137.09637	2.7
137.13319	0.4
142.07790	3.9
145.10136	2.8
147.08076	4.7
147.11705	21.0
148.06032	0.5
149.09628	8.3
151.11168	0.9
155.08473	0.5
157.10146	20.0
163.11169	1.5
165.12816	4.3
167.52168	0.5
172.49872	0.4
175.11201	22.8
193.12262	65.8
194.12680	1.1
211.13312	100.0
212.13644	0.8
226.13264	0.5
229.14272	0.8
233.15457	0.5
249.14888	1.4
267.15942	41.0
268.16196	0.5
285.16983	87.0
286.17352	1.5
288.05652	0.5
339.23059	0.5
349.21643	1.2
367.22729	2.8
383.11227	1.1
383.84210	0.5
384.11548	1.5
385.23779	4.2
403.25113	1.0
405.40683	0.5
433.25861	1.1
441.26718	0.6
459.27451	20.5
460.27896	0.7
477.28537	22.5
478.28879	0.9
495.29590	65.7
496.29724	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01860	3.4
55.05518	18.8
55.05782	1.2
55.43212	0.8
57.03442	14.9
61.02920	3.4
65.03941	1.2
67.05510	26.0
68.34187	0.8
69.03448	5.8
69.07073	8.5
69.86600	0.7
71.03791	1.0
71.04110	1.4
71.05003	6.7
73.02888	1.0
79.05060	1.6
79.05500	27.3
81.03425	84.6
81.07063	32.4
81.53085	0.9
83.04988	19.0
83.08630	27.1
85.02914	33.0
85.06540	2.9
91.03937	1.2
91.05489	35.8
93.07055	21.9
95.04980	29.0
95.08614	12.4
97.02905	5.8
97.06536	5.8
97.10181	5.0
99.04459	1.0
99.08108	1.6
105.06384	1.7
105.07041	26.4
105.33474	0.8
107.04964	8.7
107.08607	8.6
109.06539	5.6
109.10155	3.5
111.04466	3.3
111.08099	10.7
113.06013	3.0
115.05435	1.7
117.06971	1.5
119.04877	1.1
119.08585	24.9
119.27299	0.9
121.06483	2.7
121.10162	11.9
123.08074	3.2
123.11687	2.2
125.06009	1.3
125.09625	2.3
128.06200	0.9
129.07024	13.2
129.88464	1.0
131.08574	14.2
133.06496	4.0
133.10135	12.7
137.06017	0.8
137.09625	2.6
142.07796	3.4
145.10136	1.9
147.04427	1.0
147.08122	4.3
147.11694	18.7
149.09633	7.2
157.10146	19.2
163.03951	2.1
163.11206	1.3
165.12759	3.8
175.11220	17.8
184.07365	3.1
193.12263	57.0
194.12634	1.3
211.13312	83.8
212.13741	1.0
229.14307	0.9
249.14877	1.1
267.15939	38.9
268.16089	1.2
285.16983	75.3
286.17325	1.6
299.36099	0.9
367.22699	2.1
385.23605	4.4
403.24805	1.9
433.25870	1.7
459.27396	35.9
477.28531	38.3
495.29581	100.0
496.29956	3.1
639.33502	1.5
692.34839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14390	1.7
53.03942	6.8
55.01878	8.9
55.05516	34.9
57.03432	16.8
57.07070	2.4
59.04986	3.7
61.02932	9.4
65.03935	3.1
67.05511	100.0
69.03426	5.2
69.07071	18.0
70.57923	3.3
71.04990	7.6
73.02917	6.3
79.05501	36.3
81.03424	17.9
81.07061	72.1
83.04983	9.9
83.08624	21.6
85.02908	17.4
85.06532	5.3
87.04475	4.5
91.03967	3.9
91.04972	2.3
91.05489	31.4
92.17274	1.6
93.07051	44.3
95.04961	8.1
95.08618	21.4
97.02921	7.6
97.06537	11.0
97.10184	15.2
99.08089	3.3
102.73310	1.5
103.04025	1.9
103.16797	1.6
105.07043	11.7
107.04958	4.7
107.08593	30.2
109.06512	3.6
109.10166	52.2
111.04416	2.5
111.08083	7.9
111.61570	1.6
116.04724	2.4
117.06981	9.5
119.08587	12.1
120.39577	1.4
121.06457	2.3
121.10142	13.7
123.08086	3.6
123.11722	4.2
125.09651	18.8
127.03879	1.6
129.05496	6.2
129.06996	3.6
131.08601	9.9
133.10149	14.3
135.08099	2.3
135.11697	10.7
137.09625	3.4
143.07024	2.6
143.10692	3.0
145.10141	6.2
147.11671	6.9
149.09616	1.7
149.13243	14.2
153.12770	5.4
155.10640	4.3
159.11725	8.2
163.11168	8.2
165.12808	3.3
173.09576	2.0
173.11757	16.5
177.12804	3.4
181.12291	3.2
185.11700	1.8
191.10645	2.3
193.12263	5.7
195.13820	16.8
199.13315	8.0
209.11679	7.3
211.13277	2.6
213.14949	2.3
227.12802	9.7
229.14363	52.4
239.16441	3.9
267.15924	7.6
269.17499	57.2
274.30435	1.8
283.15353	4.7
298.66040	1.5
301.16504	17.1
411.27341	5.1
423.27481	33.7
431.28104	3.6
477.28647	2.2
495.29593	64.4
513.30597	29.8
541.10370	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46629	0.8
53.03938	2.0
55.01892	1.3
56.96571	1.3
65.03938	2.1
67.05506	3.2
69.03433	2.1
69.25433	2.4
69.25851	7.1
70.06586	2.1
79.05495	2.0
81.03423	2.1
81.07054	2.9
81.18585	1.2
85.02900	1.7
85.06538	1.7
86.09725	4.8
89.03929	2.4
91.05488	4.7
93.05785	2.0
93.07072	3.0
94.06586	3.8
95.04977	3.0
95.08625	1.1
96.08156	2.5
97.02920	4.6
97.06537	2.2
98.06091	1.1
98.97569	1.1
105.07050	1.5
106.06576	2.6
107.08627	1.2
108.04525	1.3
108.08122	10.9
109.02906	1.8
109.06607	1.1
117.03374	3.0
117.05780	3.5
118.06569	5.3
119.05022	1.1
119.07313	1.9
119.08580	1.5
120.08138	6.3
122.06036	8.5
123.06805	2.3
124.07606	19.3
126.05495	1.2
127.03937	2.3
131.07370	1.0
132.08076	5.2
135.04457	2.6
135.11746	1.3
136.07590	73.8
137.05986	1.7
137.07979	1.2
138.09129	1.7
145.02853	5.7
146.06033	2.2
146.09685	1.5
152.07178	5.4
156.07997	1.1
158.09618	1.0
160.07593	15.6
163.03918	22.5
164.07076	37.8
167.07161	1.2
168.08144	1.4
169.07599	1.1
170.08353	1.7
170.09750	1.3
171.09193	1.3
172.11240	1.2
173.10745	3.1
174.09256	1.1
177.05463	5.0
181.08894	7.0
182.09573	4.5
183.06705	1.0
183.09175	6.2
183.10570	1.1
184.09926	11.0
184.11288	1.4
187.08763	5.5
188.09468	2.4
189.64137	1.1
196.11287	10.9
197.10687	7.7
198.09453	0.9
198.09773	1.1
198.11525	8.6
199.08757	4.5
199.12318	18.9
201.10237	4.3
202.08517	1.4
209.08435	1.2
211.07008	1.3
211.08672	5.1
211.12425	1.3
212.09169	5.3
212.13048	1.5
213.10197	6.6
213.13831	7.7
215.11888	1.8
217.09781	2.3
219.11256	2.3
223.12405	2.1
224.10718	13.8
225.10274	11.1
226.10980	9.0
227.08409	4.7
227.11795	11.9
229.09763	2.2
229.13283	1.1
231.14819	1.2
239.08130	3.1
239.11807	2.9
239.13972	1.3
240.08871	1.4
240.12640	4.0
241.06203	2.2
241.09814	7.1
241.13382	25.3
243.11243	1.5
245.09207	1.3
245.12895	3.6
251.11778	1.9
253.09694	4.1
254.10483	3.9
255.11266	11.7
256.11826	3.5
257.09213	2.2
257.12863	1.2
259.09598	0.9
259.14337	4.8
267.11368	3.3
269.09601	3.2
269.12863	71.3
273.12268	2.0
276.58853	1.1
283.10730	9.7
285.12317	8.8
287.13919	100.0
288.14185	2.1
295.10760	2.8
297.12317	8.1
301.11816	3.8
305.15097	1.1
306.12457	1.1
311.10220	6.2
313.11868	4.5
315.13385	24.1
319.12909	1.5
329.11334	20.2
339.09692	2.4
341.11237	1.2
347.12299	1.1
357.10809	17.4
361.13971	16.3
373.13953	3.8
379.62460	1.1
380.12256	1.8
389.13455	25.9
390.14075	1.2
394.14270	1.1
419.13538	1.2
467.16861	1.2
531.21741	1.3
597.22949	2.2
599.24768	3.0
615.24353	2.2
625.23059	9.7
630.23230	2.0
643.13904	2.1
643.23926	23.1
644.24548	1.5
657.25769	5.5
661.25244	1.9
675.26556	5.5
693.23822	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	693.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46629	0.8
53.03938	2.0
55.01892	1.3
56.96571	1.3
65.03938	2.1
67.05506	3.2
69.03433	2.1
69.25433	2.4
69.25851	7.1
70.06586	2.1
79.05495	2.0
81.03423	2.1
81.07054	2.9
81.18585	1.2
85.02900	1.7
85.06538	1.7
86.09725	4.8
89.03929	2.4
91.05488	4.7
93.05785	2.0
93.07072	3.0
94.06586	3.8
95.04977	3.0
95.08625	1.1
96.08156	2.5
97.02920	4.6
97.06537	2.2
98.06091	1.1
98.97569	1.1
105.07050	1.5
106.06576	2.6
107.08627	1.2
108.04525	1.3
108.08122	10.9
109.02906	1.8
109.06607	1.1
117.03374	3.0
117.05780	3.5
118.06569	5.3
119.05022	1.1
119.07313	1.9
119.08580	1.5
120.08138	6.3
122.06036	8.5
123.06805	2.3
124.07606	19.3
126.05495	1.2
127.03937	2.3
131.07370	1.0
132.08076	5.2
135.04457	2.6
135.11746	1.3
136.07590	73.8
137.05986	1.7
137.07979	1.2
138.09129	1.7
145.02853	5.7
146.06033	2.2
146.09685	1.5
152.07178	5.4
156.07997	1.1
158.09618	1.0
160.07593	15.6
163.03918	22.5
164.07076	37.8
167.07161	1.2
168.08144	1.4
169.07599	1.1
170.08353	1.7
170.09750	1.3
171.09193	1.3
172.11240	1.2
173.10745	3.1
174.09256	1.1
177.05463	5.0
181.08894	7.0
182.09573	4.5
183.06705	1.0
183.09175	6.2
183.10570	1.1
184.09926	11.0
184.11288	1.4
187.08763	5.5
188.09468	2.4
189.64137	1.1
196.11287	10.9
197.10687	7.7
198.09453	0.9
198.09773	1.1
198.11525	8.6
199.08757	4.5
199.12318	18.9
201.10237	4.3
202.08517	1.4
209.08435	1.2
211.07008	1.3
211.08672	5.1
211.12425	1.3
212.09169	5.3
212.13048	1.5
213.10197	6.6
213.13831	7.7
215.11888	1.8
217.09781	2.3
219.11256	2.3
223.12405	2.1
224.10718	13.8
225.10274	11.1
226.10980	9.0
227.08409	4.7
227.11795	11.9
229.09763	2.2
229.13283	1.1
231.14819	1.2
239.08130	3.1
239.11807	2.9
239.13972	1.3
240.08871	1.4
240.12640	4.0
241.06203	2.2
241.09814	7.1
241.13382	25.3
243.11243	1.5
245.09207	1.3
245.12895	3.6
251.11778	1.9
253.09694	4.1
254.10483	3.9
255.11266	11.7
256.11826	3.5
257.09213	2.2
257.12863	1.2
259.09598	0.9
259.14337	4.8
267.11368	3.3
269.09601	3.2
269.12863	71.3
273.12268	2.0
276.58853	1.1
283.10730	9.7
285.12317	8.8
287.13919	100.0
288.14185	2.1
295.10760	2.8
297.12317	8.1
301.11816	3.8
305.15097	1.1
306.12457	1.1
311.10220	6.2
313.11868	4.5
315.13385	24.1
319.12909	1.5
329.11334	20.2
339.09692	2.4
341.11237	1.2
347.12299	1.1
357.10809	17.4
361.13971	16.3
373.13953	3.8
379.62460	1.1
380.12256	1.8
389.13455	25.9
390.14075	1.2
394.14270	1.1
419.13538	1.2
467.16861	1.2
531.21741	1.3
597.22949	2.2
599.24768	3.0
615.24353	2.2
625.23059	9.7
630.23230	2.0
643.13904	2.1
643.23926	23.1
644.24548	1.5
657.25769	5.5
661.25244	1.9
675.26556	5.5
693.23822	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	693.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56604	0.9
53.03954	1.2
55.01876	1.4
67.05518	2.6
69.07088	1.0
69.43690	3.7
69.44110	3.6
79.05494	2.2
80.05029	1.2
81.07045	1.3
85.02919	1.1
91.05492	2.7
93.05792	1.3
93.07068	2.4
94.06573	4.4
95.04999	1.7
96.08154	1.6
97.02906	4.0
97.06528	1.0
100.11266	0.9
105.07006	1.0
106.06553	1.9
108.04503	2.0
108.08131	12.7
110.06059	1.4
115.05484	0.9
117.05802	2.5
118.06564	6.4
119.07328	1.5
120.08127	2.4
122.06046	5.8
123.06866	1.3
124.07611	18.8
132.08115	5.4
136.07593	76.8
137.06021	2.2
138.09113	1.4
144.08112	1.1
145.02887	2.0
146.06076	2.8
146.08467	1.2
146.09695	1.8
148.07587	1.5
150.05521	2.0
152.07121	5.6
158.09604	1.1
159.09218	2.5
160.07600	18.0
163.03931	9.1
164.07092	38.7
167.07326	2.6
168.06721	0.9
169.07600	1.3
169.08923	1.4
170.08400	1.6
171.09169	1.6
172.11288	1.0
173.10774	2.3
177.05504	1.0
180.08191	1.5
181.08891	8.5
182.09727	5.7
183.09181	6.2
183.10527	1.4
184.09972	13.7
184.11363	1.5
185.10692	2.1
187.08676	8.9
188.09509	1.1
192.17049	0.8
196.09718	1.4
196.11279	9.7
197.10710	8.5
198.07820	1.7
198.11499	10.3
199.08722	6.3
199.12314	19.3
201.10233	4.9
209.08482	1.1
211.07074	2.1
211.08723	5.9
211.12321	2.5
212.09175	4.5
212.11070	1.8
212.12807	0.9
213.06618	0.9
213.10269	7.7
213.13869	7.1
215.11786	1.8
217.09731	1.9
223.12341	2.7
224.10760	14.9
225.10231	13.4
226.11006	8.7
227.08215	7.8
227.11821	10.5
229.09761	1.7
229.13382	1.2
237.10146	1.5
238.11078	1.1
239.08179	2.2
239.11842	6.3
240.08881	1.9
240.12578	5.8
241.09784	8.4
241.13388	28.7
245.12941	3.6
251.11841	1.6
253.09711	3.2
254.10475	5.3
255.11385	9.4
256.11874	3.4
257.09232	1.2
257.12891	2.0
259.09866	1.1
259.14474	3.3
267.11298	7.5
268.12195	1.1
269.09854	2.7
269.12885	65.6
270.13321	1.3
271.10901	1.1
273.12262	1.6
283.10825	10.7
285.12326	10.1
287.13928	100.0
288.14288	3.4
295.10776	3.7
297.12341	10.6
301.11853	4.7
306.12372	1.0
311.10294	7.4
313.11752	5.6
315.09906	1.8
315.13425	26.8
316.13684	1.1
318.12100	1.0
322.11841	2.3
329.11368	20.4
339.09845	2.4
341.11298	1.6
357.10852	19.4
361.13983	18.1
362.14569	1.2
373.13986	4.2
380.12390	2.1
384.11600	1.5
385.12140	1.0
389.13467	24.2
467.17282	1.2
554.00562	1.0
597.23077	2.0
599.23090	3.5
615.24310	2.8
625.23132	11.5
630.22839	1.6
636.17017	1.0
643.24036	23.7
644.24396	1.5
657.25757	7.1
661.25122	4.5
675.26239	6.8
693.39697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.05521	2.0
57.03445	2.0
60.81135	0.7
61.02934	5.1
61.87274	0.9
67.05514	4.1
69.03452	3.1
71.04997	1.1
73.02937	3.2
79.05519	3.0
81.03435	3.9
81.07078	3.0
83.05007	2.2
83.08656	2.1
85.02931	6.3
91.03970	4.1
91.05491	3.7
93.07054	4.7
95.04994	1.1
95.08624	2.0
97.02904	5.2
97.06516	1.2
98.21488	1.7
99.04493	1.0
101.02424	2.3
105.07062	2.6
105.55646	0.7
107.04998	1.4
107.08649	2.6
109.02879	0.7
109.06553	1.5
109.10210	2.0
111.04516	0.8
117.03454	1.0
117.07053	1.9
119.04951	1.7
119.08594	2.0
121.10200	1.6
123.08139	1.9
125.24884	0.8
127.03954	2.2
135.11751	1.8
145.10182	2.5
147.04483	1.4
163.03964	1.1
163.11195	5.4
169.41867	0.7
173.09772	0.7
177.05565	1.6
185.14888	0.7
191.10941	0.8
209.11885	1.1
228.98404	1.0
243.08543	2.5
283.15643	1.6
467.18979	14.6
496.29794	1.4
515.18317	1.2
602.22742	1.1
693.31140	100.0
694.30975	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	693.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.05508	1.6
56.96564	0.8
57.03432	1.9
61.02929	4.8
64.29734	0.4
67.05510	3.1
69.03432	2.5
69.07069	0.6
71.01358	0.8
71.04983	1.2
73.02908	2.3
79.05489	4.1
81.03409	4.3
81.07063	3.2
83.01357	0.6
83.04984	1.7
83.08636	1.3
85.02905	4.5
91.03974	2.4
91.05486	2.5
93.07052	5.0
95.04951	1.5
95.08614	3.1
97.02895	4.9
97.06504	1.0
98.20719	1.1
99.04458	1.2
101.02384	1.5
105.07053	1.6
107.04947	1.1
107.08572	2.4
109.02855	1.2
109.06485	1.0
109.10185	1.0
111.04478	0.9
111.08106	0.6
117.07021	1.3
119.04956	0.4
119.08569	1.7
121.06471	0.7
121.10155	2.1
123.08082	0.8
125.06010	0.6
125.29929	0.6
127.03931	1.0
131.08578	1.0
132.60884	0.5
135.11687	4.5
145.10115	3.0
147.04408	1.2
163.03839	0.8
163.11189	6.4
165.12749	0.5
181.12206	1.1
209.11591	0.6
227.12755	3.1
242.14639	0.5
243.08386	2.8
249.08542	0.5
249.10999	7.7
263.62689	0.6
267.09052	0.7
267.15796	0.7
269.10449	0.7
283.15384	1.2
305.13568	2.2
432.16174	0.6
445.16904	0.7
447.27750	1.1
459.19366	0.8
460.19812	0.8
461.20126	0.7
467.18906	19.0
468.18997	0.7
472.11868	0.6
486.13971	1.5
487.14133	0.6
496.29700	0.8
500.15366	1.4
501.16739	1.0
513.16516	1.5
514.16870	2.0
515.17767	2.0
516.18842	0.9
525.16083	0.7
527.18170	1.2
529.19934	0.6
547.23340	0.7
575.23163	1.1
602.22382	1.2
603.23450	3.2
619.22559	0.7
693.31305	100.0
694.32416	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	693.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01880	0.6
55.05517	1.8
57.03445	1.9
57.07075	0.6
57.23738	0.2
59.05003	0.2
59.26601	0.3
61.02641	0.4
61.02935	5.8
65.03932	0.3
67.05511	8.6
67.05873	0.4
68.80839	0.3
69.03438	3.4
69.07078	2.1
71.01356	0.6
71.04987	0.6
71.06781	0.6
73.02921	4.1
78.59935	0.2
79.05507	2.1
80.81927	0.3
81.03428	1.9
81.07069	5.6
83.04992	0.6
83.08634	1.5
85.02913	5.5
87.04452	0.3
91.03957	3.6
91.05479	1.9
93.07040	2.1
95.04939	0.5
95.08622	4.5
97.02906	5.3
97.06553	0.5
98.98454	0.4
99.04495	0.7
101.02394	2.0
103.03943	0.4
105.07050	1.0
107.04950	0.3
107.08608	1.1
109.02891	0.9
109.10170	5.3
111.08156	0.4
115.03913	0.4
119.08617	1.0
121.10179	1.0
123.11738	0.9
125.09644	0.3
127.03973	2.0
133.10139	0.9
135.11763	0.7
137.09653	0.5
143.95854	0.3
145.04987	0.6
147.11752	0.5
149.13295	0.3
155.10742	0.4
157.16551	0.3
162.81612	0.3
163.11136	0.3
165.03345	0.3
173.11768	0.8
175.14832	0.3
175.47971	0.3
184.07498	0.3
185.04283	0.9
195.09995	0.9
203.05394	0.3
209.11766	0.4
222.30409	0.3
227.12941	0.4
229.14455	0.5
243.08472	1.9
263.23996	0.4
337.27478	1.0
413.17828	5.0
521.31042	8.3
521.38287	1.6
693.41895	100.0
694.42230	3.6
714.79346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01888	0.5
55.05538	2.1
57.03448	2.5
57.07089	0.6
61.02934	4.4
67.05173	0.7
67.05512	10.3
69.03442	3.2
69.05741	0.4
69.07076	2.1
69.17641	1.7
69.18065	2.1
71.01370	0.7
71.04980	0.9
72.61452	0.4
73.02924	4.0
79.05483	1.7
81.03437	2.0
81.07060	5.3
83.08640	1.6
85.02911	5.0
87.04479	0.5
91.03957	2.8
91.05504	1.3
93.07065	1.8
94.76540	0.4
95.04953	0.5
95.08621	3.6
95.21542	0.4
97.02904	4.7
97.10194	0.5
98.98479	0.5
99.04473	0.7
101.02401	1.6
105.07061	0.7
107.08633	0.6
109.02888	1.0
109.06501	0.4
109.10168	8.1
111.08104	0.5
119.08612	1.3
121.10199	0.9
123.11743	0.4
127.03949	1.5
131.08542	0.5
131.95427	0.4
133.10135	0.8
135.11746	0.8
145.10109	0.4
173.11771	1.6
184.07404	0.8
185.04305	0.7
195.10027	0.6
209.11777	0.7
227.12708	0.4
229.14455	1.2
243.08434	2.4
267.08954	0.5
313.27344	0.7
337.27359	0.8
413.17825	10.6
413.23093	0.6
469.79523	0.4
503.37650	0.5
521.30981	5.7
521.38385	1.9
693.41895	100.0
694.42273	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	694.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26467	0.4
50.46649	0.4
51.46292	0.4
53.03952	2.4
53.50233	0.4
55.01871	3.6
55.05512	0.5
56.96578	0.5
57.03438	2.4
61.02932	3.0
64.91383	0.4
67.05490	1.1
68.99777	1.7
69.03430	13.4
69.07067	0.7
70.20477	1.6
70.20818	0.4
71.04984	1.6
73.02909	2.2
79.05479	0.6
81.03421	10.9
81.07053	1.2
83.01337	0.5
83.04951	0.5
83.08624	0.5
85.02905	34.0
86.09712	0.7
87.00828	11.7
87.04478	0.6
91.03934	0.8
91.05476	1.1
95.04951	0.5
97.02892	11.3
97.06505	1.9
99.04456	4.8
101.02363	0.5
103.03934	1.2
105.01186	0.8
105.01868	10.5
105.07002	0.6
107.04981	0.4
108.08144	0.4
109.02876	8.9
109.10191	0.4
111.04433	0.7
115.03938	0.5
117.01836	1.2
117.03373	0.5
120.08128	0.8
121.06483	0.5
121.32719	0.4
123.02625	0.4
127.03920	18.5
129.01848	2.1
131.00145	0.4
133.10155	0.6
135.04385	0.8
140.70087	0.4
145.02844	0.5
145.04962	10.2
145.06250	0.8
145.06470	0.7
147.02907	1.3
147.04419	0.5
147.08044	1.2
159.02881	4.6
159.08110	0.8
160.03061	0.5
163.03925	3.9
164.04195	1.1
165.07086	0.5
171.08047	0.7
173.02388	1.0
179.08543	0.8
181.09973	0.4
183.07991	0.6
184.07372	1.5
189.03929	1.6
191.08519	0.5
193.10179	0.9
195.07976	2.5
195.11705	0.6
196.08839	0.5
197.09622	1.7
203.08405	0.5
205.10141	0.7
206.10905	1.6
207.08041	0.5
207.11716	0.5
208.08847	0.9
209.09633	2.9
210.10303	2.1
211.11163	1.3
213.03938	1.2
215.07062	1.5
216.09286	0.7
219.07991	2.9
219.11510	0.8
220.08855	0.6
221.09595	1.4
221.13283	2.2
222.10425	0.7
223.07697	0.5
223.11229	1.4
224.08302	1.2
224.11957	3.9
225.09132	1.2
230.10976	0.8
231.04967	4.6
231.11700	1.0
232.08896	1.6
233.09592	2.2
234.10391	6.9
235.07582	1.1
235.11122	2.4
235.14793	0.9
237.09103	8.2
237.12779	0.6
238.09906	9.8
238.12120	0.8
239.10687	6.1
239.14282	6.0
243.08153	0.7
245.06738	0.4
245.13426	0.4
246.10439	0.6
247.11118	2.8
248.11931	3.6
249.06055	1.3
249.08917	0.4
249.12729	8.2
250.09898	3.9
250.13571	1.0
251.10532	1.9
252.11465	28.1
253.11893	1.0
258.10330	1.0
259.09586	3.6
261.09198	1.7
261.12689	2.3
262.09814	1.8
262.13074	0.5
263.10803	1.0
263.14301	3.6
264.11533	0.5
265.12253	12.6
266.12909	1.7
267.13803	100.0
268.14090	2.2
271.11118	0.5
272.11865	0.6
273.09921	0.4
273.12723	2.4
274.09647	0.5
275.10587	0.7
276.11450	5.7
277.12204	0.8
285.98230	0.4
287.14392	1.1
289.12292	0.8
290.12885	1.1
291.13794	27.8
300.11560	0.7
301.16293	0.5
303.13794	3.8
305.15271	1.2
309.14868	21.4
314.13025	0.4
315.13687	0.6
317.15384	0.7
318.12653	0.5
329.15344	1.5
333.14868	16.4
357.14822	6.3
369.08463	0.5
375.15909	13.8
393.17050	0.7
429.19183	2.3
461.15948	0.6
472.30692	0.5
479.16925	1.7
487.18524	0.7
497.18454	0.6
531.34229	0.5
532.34399	0.9
568.80597	0.4
694.40417	3.3
695.41028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96312	3.2
69.95810	9.8
69.96203	6.5
96.55473	4.3
209.10713	5.2
212.33630	3.7
225.10223	4.3
227.08159	4.1
237.13962	7.6
239.11902	4.0
268.12073	3.7
304.93967	3.3
326.24600	4.2
390.15192	4.3
402.14691	4.3
417.17432	5.3
418.18292	6.1
447.17484	5.4
461.19913	4.9
462.20493	7.1
475.21078	16.0
477.23260	4.3
503.20532	4.3
519.19757	4.6
535.23389	12.4
548.24994	3.9
563.26410	7.2
577.24164	4.3
579.25659	10.8
590.25073	4.4
593.25684	3.8
595.25378	6.2
605.24121	8.9
606.28680	8.9
607.26263	4.3
609.26312	14.7
622.27917	100.0
623.27496	11.1
637.26471	22.0
638.27155	19.8
654.26379	5.1
694.28748	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	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01872	4.1
55.05516	15.3
56.96563	2.9
57.03232	1.8
57.03445	16.5
59.04992	2.2
61.02937	9.6
61.61137	1.6
65.03951	2.0
67.05511	100.0
69.03448	8.6
69.07071	10.3
70.34055	1.8
71.05002	25.1
71.54842	2.3
73.02910	3.3
79.05496	37.3
81.03424	52.1
81.07065	37.3
83.04995	15.5
83.08636	21.5
85.02909	25.1
85.06539	4.5
91.03943	3.9
91.05485	44.7
93.07052	37.3
94.89964	1.8
95.04985	24.4
95.08624	17.6
96.79848	1.8
97.02923	10.2
97.06548	11.8
97.10213	4.5
105.07037	21.2
107.04950	7.9
107.08589	16.4
108.26601	1.8
109.06502	6.6
109.10168	66.1
109.10928	3.2
111.08085	11.4
113.05935	2.2
114.51151	1.7
115.05437	2.1
117.03357	2.8
117.07027	5.6
118.97025	1.9
119.08580	28.5
121.10152	12.5
121.54809	1.8
122.10428	2.0
123.04488	2.2
123.08083	3.2
123.11651	2.6
125.09623	3.5
127.03918	4.0
129.07014	8.9
131.08601	13.4
133.06499	2.5
133.10146	15.1
135.11688	11.4
137.09586	13.0
142.07816	2.1
145.02879	3.5
145.10118	6.2
147.04405	5.4
147.08046	4.2
147.11691	12.6
149.09610	6.3
149.13240	2.3
155.10625	2.4
157.10127	12.0
163.03903	4.8
163.11156	6.6
165.12730	4.1
169.12178	2.6
173.11755	11.1
175.11168	13.4
177.05504	3.6
181.12216	4.1
184.07298	4.7
188.02521	1.7
193.12238	32.6
211.13303	42.4
229.14375	5.4
239.16309	2.8
255.15897	13.2
267.15936	29.4
269.17438	3.0
271.15286	1.9
285.17007	24.4
287.18604	19.5
403.24792	2.9
421.25903	33.0
439.26947	88.9
440.27588	1.9
447.27463	48.6
448.27499	2.1
453.28445	12.9
461.28955	11.4
465.28506	59.8
467.18942	3.1
469.20242	2.6
479.30258	4.8
495.29431	2.9
497.31110	56.1
529.27777	1.9
641.34442	2.1
694.31036	15.3
695.32330	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
53.44251	0.6
54.11554	0.7
55.01875	1.9
55.05311	0.7
55.05517	8.4
56.96575	1.3
57.03187	1.0
57.03443	13.5
58.24706	0.7
61.02920	2.7
64.24403	0.7
65.03934	1.9
67.05512	29.9
69.03429	3.2
69.07071	7.7
71.01361	2.5
71.05006	3.7
72.20602	0.8
73.02927	2.1
75.55794	0.8
79.05505	26.2
81.03427	49.6
81.07063	18.9
83.04994	8.7
83.08620	12.1
85.02908	4.8
85.06539	2.4
91.03943	1.5
91.05490	17.8
93.07056	29.7
95.04987	17.1
95.08627	6.5
97.02917	3.5
97.06538	8.6
97.10184	6.6
97.51919	0.7
99.04455	1.1
99.08098	1.0
101.02361	0.8
105.07034	7.8
106.02407	0.6
107.04980	3.6
107.08606	21.5
107.09301	1.5
109.02908	1.1
109.06538	2.3
109.10165	5.8
111.04478	1.4
111.08079	6.0
115.05391	1.1
116.98695	0.9
117.07011	3.7
119.04964	1.2
119.08595	11.3
121.06532	2.6
121.10144	7.4
123.04410	1.1
123.08154	1.3
125.09642	2.0
127.03925	1.4
129.07008	5.7
131.08597	4.8
133.06494	2.6
133.10141	5.4
135.08076	1.2
135.11708	31.1
137.09608	1.5
142.07793	1.4
145.10156	7.6
147.04456	1.0
147.08063	1.5
147.11691	5.5
149.09583	1.7
153.12793	1.1
157.10146	6.9
163.03978	1.0
163.11189	6.1
165.12755	1.2
169.10031	0.8
170.60208	0.7
171.11739	0.7
175.11180	6.9
181.12216	5.5
193.12267	13.4
211.13319	1.8
243.08586	1.0
255.15942	58.9
267.15952	41.2
268.16388	1.0
269.17368	0.8
283.15280	1.0
285.10181	0.8
285.16843	0.9
301.14322	0.9
340.15726	0.8
355.22824	0.9
373.24020	0.7
379.19281	0.7
403.25012	1.2
421.26013	6.7
427.88943	0.8
429.26553	2.0
439.27020	1.9
447.27478	100.0
448.27710	2.7
465.28506	3.8
467.18915	2.2
468.19101	1.5
469.20578	1.9
479.30371	1.0
489.28430	1.6
497.31500	1.5
627.56885	0.9
694.31506	15.5
695.32477	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	695.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63127	0.3
53.03947	0.3
55.01872	0.4
55.05504	1.1
57.03433	1.5
61.02930	3.7
61.03581	0.3
67.05502	2.6
69.03435	2.3
69.07076	0.6
71.01356	0.4
71.04989	0.7
71.28335	0.5
72.31809	0.3
73.02918	2.5
79.05495	2.8
81.03422	4.2
81.07069	2.8
83.04993	0.9
83.08626	1.3
83.81722	0.3
85.02909	4.7
85.06583	0.3
91.03957	1.1
91.05492	2.8
93.07053	2.5
95.04968	1.4
95.08618	1.6
97.02889	3.1
97.06541	0.8
99.04454	0.7
99.57758	0.3
101.02391	1.3
105.07062	2.2
107.04964	0.8
107.08609	1.5
109.02905	0.7
109.10192	0.7
110.94051	0.3
111.04429	0.3
111.08085	0.3
113.18037	0.3
117.07050	0.6
119.08600	1.8
119.09370	0.2
121.10141	1.3
122.35878	0.3
127.03918	1.0
129.07004	0.7
131.08582	0.7
133.10165	0.8
135.11710	2.4
142.07666	0.3
145.10124	1.9
147.04425	0.6
147.08073	0.3
147.11710	1.1
157.10175	1.1
163.04041	0.3
163.11186	3.5
175.11212	0.6
181.12262	0.7
185.04240	0.6
193.12283	1.4
211.13387	0.7
227.12772	2.7
243.08426	1.9
249.10995	6.4
249.13342	0.4
251.12584	0.5
285.10086	0.4
305.13681	1.7
307.93640	0.3
337.15045	0.3
361.26172	0.3
428.24139	0.6
429.24173	1.0
467.18964	8.3
469.20447	8.6
533.27618	0.4
695.32477	100.0
696.32977	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	695.3254
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03960	0.6
55.01877	0.6
55.05504	1.3
57.03441	1.6
61.02929	4.0
61.88531	0.5
66.81798	0.4
67.05521	2.1
69.03436	2.4
69.07084	0.9
70.70110	1.0
70.70471	0.4
71.01373	0.6
71.05003	0.8
73.02924	3.2
79.05490	1.7
81.03422	4.5
81.06657	0.5
81.07050	2.4
82.43797	0.4
83.04985	1.2
83.08612	1.1
85.02914	6.4
87.00885	0.4
91.03976	2.7
91.05469	2.6
93.07014	2.0
95.04977	1.8
97.02907	3.5
97.06569	0.8
99.04408	0.9
101.02396	1.8
105.07053	1.9
107.04996	1.0
107.08598	1.3
109.02894	0.6
109.06551	0.8
117.06995	0.5
119.08603	1.2
121.10143	1.0
123.08097	0.6
126.68913	0.4
127.03932	1.5
129.06984	0.9
131.08586	1.1
133.10103	1.0
135.11687	0.9
145.10194	0.9
147.08049	0.5
147.11708	0.8
155.08472	0.4
157.10123	1.0
163.11244	2.1
193.12306	1.1
211.13452	0.7
243.08401	2.0
352.73782	0.4
371.88132	0.5
408.11359	0.5
467.19046	5.0
469.20422	7.4
489.64697	0.5
507.93707	0.5
647.28003	0.5
695.32526	100.0
696.32581	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	695.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70055	0.2
52.09458	0.3
53.03909	0.3
55.05516	0.6
55.46180	0.2
56.96300	0.6
56.96572	10.6
57.03431	0.4
61.02905	0.4
67.05494	0.9
69.03450	0.4
69.07070	0.7
70.07459	0.3
71.55566	0.5
71.95248	1.2
72.96043	0.7
73.02897	0.3
79.05486	2.3
81.03432	0.8
81.07066	7.3
84.96037	0.7
85.02909	0.8
91.05476	1.2
93.07025	0.7
95.04968	0.5
95.08607	1.0
97.02908	0.6
97.06527	1.6
97.96803	0.6
98.97577	1.5
105.00166	0.3
105.06937	0.4
107.04971	0.5
107.08580	0.3
109.10167	0.3
110.97556	1.5
112.99271	0.3
115.00661	0.4
116.98597	0.3
119.04945	0.8
119.08581	0.5
128.98613	2.0
131.08571	0.3
137.02753	0.3
141.02222	0.5
143.00113	0.4
146.99664	0.8
147.04417	4.1
149.09608	0.4
155.03819	0.5
163.03947	0.4
167.03876	0.4
169.05254	0.4
171.03307	0.9
173.04816	0.4
175.02757	0.4
181.05241	0.4
183.03374	0.5
185.01357	0.3
185.04802	1.6
187.02769	0.5
187.06337	0.6
189.04385	0.5
195.06973	0.6
197.04915	0.3
199.02692	0.3
199.06366	2.1
203.05951	1.0
205.01721	0.3
205.07520	0.7
207.06993	0.5
209.04935	0.4
211.06487	0.8
213.07997	8.1
217.07437	2.1
221.08260	0.8
223.02705	0.8
223.08354	0.4
223.10248	0.5
225.08005	3.1
227.05981	0.5
227.09592	0.7
229.07448	1.6
231.07014	0.5
231.09085	5.7
236.09531	0.5
237.04343	0.8
237.07899	1.5
239.02364	0.8
239.09589	3.1
241.11118	4.0
242.08220	0.7
243.09048	2.4
245.10634	0.3
247.08562	0.8
251.09546	6.1
253.11133	0.8
255.09082	6.5
257.03430	0.5
257.10614	1.7
259.09656	0.5
259.12189	4.1
261.10205	0.3
262.08664	0.3
263.06207	0.3
267.08975	0.6
269.10632	26.3
270.10843	0.4
271.12201	0.5
273.10071	2.9
279.08994	2.2
280.09839	2.0
285.10010	0.5
287.11679	8.8
289.14697	0.3
292.12195	1.2
293.14133	0.4
297.10126	2.5
298.10934	0.9
307.15887	0.4
311.12424	0.4
313.14651	0.8
315.11227	1.1
316.11868	0.4
331.15799	8.1
337.17050	0.3
349.16891	14.1
350.17273	0.4
355.15396	0.6
367.17953	100.0
368.18347	2.0
372.18521	0.7
385.18991	11.3
408.20587	4.8
426.11694	0.4
441.08432	0.4
460.83334	0.3
494.15103	0.4
579.31641	0.4
585.16315	0.6
677.39331	0.7
695.31635	5.7
695.40546	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	695.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44493	1.1
53.03949	3.5
55.01884	4.4
55.05528	8.6
55.46729	1.2
56.96577	12.5
57.03444	8.1
58.06609	3.1
60.64778	1.2
61.02934	22.2
67.05518	12.7
69.03440	17.6
69.07072	8.7
70.06608	2.5
70.71635	1.2
70.71969	3.4
71.05016	3.1
73.02927	15.0
79.05499	17.5
80.05042	4.5
81.03427	16.6
81.07057	9.2
82.06607	3.4
83.04987	2.8
83.08638	5.4
85.02915	30.3
86.03279	1.2
87.00845	4.5
87.04502	1.2
89.03957	3.6
91.03964	9.0
91.05497	7.4
93.07061	7.1
94.06570	7.8
95.04996	5.7
95.08610	6.2
96.08116	1.6
97.02907	20.2
97.06547	58.1
97.10197	4.0
98.06935	1.7
98.97617	2.8
99.04461	3.1
101.02409	3.0
105.01889	4.1
105.07067	5.5
106.06594	1.8
107.05004	3.1
107.08619	5.9
108.08154	4.7
109.02894	5.8
109.10194	4.8
111.04453	1.9
112.99072	1.2
115.39514	1.2
116.98713	1.9
117.03446	2.8
117.07066	2.4
118.06620	4.0
119.08630	3.7
120.08123	15.1
121.10171	2.4
122.09673	1.6
124.99143	4.0
125.09719	2.1
127.03917	9.5
128.04320	3.0
129.07043	2.7
130.06583	4.1
131.00206	1.7
131.07388	2.0
131.08582	2.9
132.08110	10.6
133.02888	2.7
133.08875	1.5
133.10176	2.3
134.09686	9.7
135.04428	8.6
135.10550	2.0
141.02287	1.4
143.00194	5.7
144.08089	26.7
145.02815	5.7
145.05009	4.9
145.08923	2.3
145.10101	1.6
146.09702	6.4
147.04474	2.2
148.11281	2.4
155.08574	1.7
156.08089	1.9
157.09006	1.8
157.10219	1.7
158.09669	9.3
159.03156	2.7
159.04495	2.6
160.11295	4.0
161.01231	2.0
161.02368	11.3
163.03932	44.0
164.04301	3.0
169.01796	1.7
169.08929	1.3
170.09689	7.3
171.10490	1.8
172.11244	2.6
173.02382	17.3
174.12953	1.4
184.07506	1.7
184.11374	4.1
185.01205	2.7
186.12883	2.2
188.10854	1.3
189.04236	1.9
196.11266	1.2
199.13554	1.8
203.02344	2.8
206.15559	3.5
210.02161	2.4
212.14630	1.8
213.00816	2.9
215.07040	29.2
216.07458	2.3
216.17720	2.1
224.11935	1.2
224.14333	1.4
224.16536	1.9
226.15988	1.2
228.17636	1.9
230.15547	2.3
231.01888	2.6
231.05075	2.4
232.17136	3.7
234.10368	1.3
236.00113	3.4
236.16507	1.2
237.00690	5.8
238.09743	2.7
238.16057	3.0
239.10587	2.3
242.15523	1.6
244.17064	8.0
246.18689	3.3
248.16624	1.7
249.02919	2.2
249.12663	2.4
249.19701	6.6
250.13249	1.6
250.18166	2.2
251.10338	1.3
252.11588	3.9
253.11938	4.8
254.01155	5.6
254.15530	2.3
255.01920	4.8
256.16995	13.0
259.09695	68.6
260.10010	7.9
260.16364	1.9
262.18253	3.9
263.06171	1.4
265.12445	3.3
266.12793	3.4
267.04013	1.5
267.09299	2.9
267.13754	25.7
268.14172	28.5
268.16901	2.2
270.18631	2.3
271.06570	2.1
272.02261	3.5
272.16611	1.6
274.18170	5.6
274.34213	1.3
285.10318	1.8
286.18112	2.1
289.07617	4.9
291.13873	5.0
292.14175	9.6
294.18671	1.6
300.19778	2.4
304.14362	1.7
309.15015	4.8
310.15094	6.7
312.19846	2.2
314.21442	1.6
333.06635	2.1
333.14929	3.3
334.15356	5.5
336.21893	1.6
351.07733	5.1
352.26447	1.7
357.15335	1.6
358.15375	3.2
369.08575	6.8
370.27179	2.0
375.16147	3.0
376.16528	5.1
380.26202	4.9
392.04385	3.0
398.26932	6.8
405.28958	1.6
410.05573	5.3
416.28140	5.7
423.30182	6.6
424.28748	1.7
441.31229	1.7
460.30878	6.2
472.30685	32.4
478.31729	1.5
489.10925	6.3
490.31702	24.0
490.38208	1.6
498.32300	8.4
507.11951	7.0
515.34924	25.9
515.42102	1.9
516.33740	6.0
532.33765	2.1
533.35895	39.4
533.43127	2.6
622.35986	1.7
634.35876	6.4
641.38416	2.7
652.37402	4.2
659.39832	3.0
660.37531	8.6
677.40137	57.1
678.39551	7.7
681.17529	4.2
695.32574	7.7
695.41553	100.0
696.41931	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	695.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01871	0.6
55.05515	2.4
56.05045	0.4
56.40067	0.3
56.96555	0.6
57.03434	1.3
58.06595	0.8
59.04987	0.4
59.88484	0.3
61.02934	3.3
65.53462	0.3
67.05507	2.1
69.03442	3.2
69.07075	0.7
69.29905	0.6
69.30308	2.6
70.06582	1.2
71.01381	0.3
71.04998	0.7
73.02921	4.1
74.03643	0.3
79.05501	3.0
80.05022	0.7
81.03429	1.7
81.07059	1.9
82.06590	0.6
83.04976	0.5
83.08624	0.8
84.08144	0.4
85.02907	3.4
85.07661	0.7
87.71955	0.3
91.03956	1.4
91.05495	1.4
93.05801	0.4
93.07058	1.3
94.06583	2.4
95.04957	0.3
95.08607	1.1
96.08143	0.4
97.02910	2.8
97.06532	2.3
97.10168	1.1
98.97655	0.3
99.04440	0.5
99.24232	0.3
101.02367	0.6
105.07069	1.3
106.06581	1.2
107.04977	0.3
107.07344	0.3
107.08618	0.9
108.08112	1.3
109.10172	0.8
110.06081	0.4
117.05737	0.3
117.07035	0.8
118.06563	1.3
119.08661	0.9
120.08119	4.3
121.02937	0.4
121.10132	0.7
122.08403	1.1
122.09658	0.9
123.08048	0.4
123.11684	0.4
125.09650	0.9
127.03915	0.9
129.07002	0.6
130.06551	0.7
131.07318	0.4
131.08604	0.8
132.08098	2.7
133.08827	0.3
133.10120	0.5
134.09666	2.8
135.04462	0.7
135.09192	6.8
136.09975	1.4
136.11209	0.5
137.10713	0.4
144.08073	2.1
145.08922	0.6
145.10095	0.6
146.09676	1.2
147.04405	0.6
148.09979	1.1
148.11247	0.9
149.10716	1.8
158.09644	0.6
160.11263	0.5
161.02428	0.3
161.10796	2.4
162.11519	1.0
162.12810	0.7
163.03906	3.1
163.12367	0.9
172.09988	0.4
172.11292	0.7
173.02347	0.7
173.10779	0.8
175.12355	1.6
177.05537	0.5
177.13905	0.7
187.12405	0.7
201.13936	0.7
202.15869	0.5
215.07175	0.9
228.17499	0.6
230.15497	1.4
232.17020	0.4
244.17043	0.5
246.18622	0.8
248.16510	1.2
256.16980	2.2
259.09583	2.3
265.19199	0.8
274.18039	3.4
286.04987	0.4
286.18405	0.5
288.19632	0.7
291.20657	0.8
293.08109	0.4
301.07196	0.9
305.22250	0.7
330.20511	0.7
335.23260	0.7
398.27130	1.1
416.27911	1.2
423.30087	1.3
434.29272	0.8
441.31213	1.1
447.32602	0.5
458.29123	0.8
459.32480	0.9
460.31354	0.7
472.30579	2.8
477.33243	2.5
490.31876	2.5
515.35010	4.2
516.33575	1.1
533.35938	5.9
652.36627	1.7
677.39661	1.6
695.41162	100.0
696.41443	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	695.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44493	1.1
53.03949	3.5
55.01884	4.4
55.05528	8.6
55.46729	1.2
56.96577	12.5
57.03444	8.1
58.06609	3.1
60.64778	1.2
61.02934	22.2
67.05518	12.7
69.03440	17.6
69.07072	8.7
70.06608	2.5
70.71635	1.2
70.71969	3.4
71.05016	3.1
73.02927	15.0
79.05499	17.5
80.05042	4.5
81.03427	16.6
81.07057	9.2
82.06607	3.4
83.04987	2.8
83.08638	5.4
85.02915	30.3
86.03279	1.2
87.00845	4.5
87.04502	1.2
89.03957	3.6
91.03964	9.0
91.05497	7.4
93.07061	7.1
94.06570	7.8
95.04996	5.7
95.08610	6.2
96.08116	1.6
97.02907	20.2
97.06547	58.1
97.10197	4.0
98.06935	1.7
98.97617	2.8
99.04461	3.1
101.02409	3.0
105.01889	4.1
105.07067	5.5
106.06594	1.8
107.05004	3.1
107.08619	5.9
108.08154	4.7
109.02894	5.8
109.10194	4.8
111.04453	1.9
112.99072	1.2
115.39514	1.2
116.98713	1.9
117.03446	2.8
117.07066	2.4
118.06620	4.0
119.08630	3.7
120.08123	15.1
121.10171	2.4
122.09673	1.6
124.99143	4.0
125.09719	2.1
127.03917	9.5
128.04320	3.0
129.07043	2.7
130.06583	4.1
131.00206	1.7
131.07388	2.0
131.08582	2.9
132.08110	10.6
133.02888	2.7
133.08875	1.5
133.10176	2.3
134.09686	9.7
135.04428	8.6
135.10550	2.0
141.02287	1.4
143.00194	5.7
144.08089	26.7
145.02815	5.7
145.05009	4.9
145.08923	2.3
145.10101	1.6
146.09702	6.4
147.04474	2.2
148.11281	2.4
155.08574	1.7
156.08089	1.9
157.09006	1.8
157.10219	1.7
158.09669	9.3
159.03156	2.7
159.04495	2.6
160.11295	4.0
161.01231	2.0
161.02368	11.3
163.03932	44.0
164.04301	3.0
169.01796	1.7
169.08929	1.3
170.09689	7.3
171.10490	1.8
172.11244	2.6
173.02382	17.3
174.12953	1.4
184.07506	1.7
184.11374	4.1
185.01205	2.7
186.12883	2.2
188.10854	1.3
189.04236	1.9
196.11266	1.2
199.13554	1.8
203.02344	2.8
206.15559	3.5
210.02161	2.4
212.14630	1.8
213.00816	2.9
215.07040	29.2
216.07458	2.3
216.17720	2.1
224.11935	1.2
224.14333	1.4
224.16536	1.9
226.15988	1.2
228.17636	1.9
230.15547	2.3
231.01888	2.6
231.05075	2.4
232.17136	3.7
234.10368	1.3
236.00113	3.4
236.16507	1.2
237.00690	5.8
238.09743	2.7
238.16057	3.0
239.10587	2.3
242.15523	1.6
244.17064	8.0
246.18689	3.3
248.16624	1.7
249.02919	2.2
249.12663	2.4
249.19701	6.6
250.13249	1.6
250.18166	2.2
251.10338	1.3
252.11588	3.9
253.11938	4.8
254.01155	5.6
254.15530	2.3
255.01920	4.8
256.16995	13.0
259.09695	68.6
260.10010	7.9
260.16364	1.9
262.18253	3.9
263.06171	1.4
265.12445	3.3
266.12793	3.4
267.04013	1.5
267.09299	2.9
267.13754	25.7
268.14172	28.5
268.16901	2.2
270.18631	2.3
271.06570	2.1
272.02261	3.5
272.16611	1.6
274.18170	5.6
274.34213	1.3
285.10318	1.8
286.18112	2.1
289.07617	4.9
291.13873	5.0
292.14175	9.6
294.18671	1.6
300.19778	2.4
304.14362	1.7
309.15015	4.8
310.15094	6.7
312.19846	2.2
314.21442	1.6
333.06635	2.1
333.14929	3.3
334.15356	5.5
336.21893	1.6
351.07733	5.1
352.26447	1.7
357.15335	1.6
358.15375	3.2
369.08575	6.8
370.27179	2.0
375.16147	3.0
376.16528	5.1
380.26202	4.9
392.04385	3.0
398.26932	6.8
405.28958	1.6
410.05573	5.3
416.28140	5.7
423.30182	6.6
424.28748	1.7
441.31229	1.7
460.30878	6.2
472.30685	32.4
478.31729	1.5
489.10925	6.3
490.31702	24.0
490.38208	1.6
498.32300	8.4
507.11951	7.0
515.34924	25.9
515.42102	1.9
516.33740	6.0
532.33765	2.1
533.35895	39.4
533.43127	2.6
622.35986	1.7
634.35876	6.4
641.38416	2.7
652.37402	4.2
659.39832	3.0
660.37531	8.6
677.40137	57.1
678.39551	7.7
681.17529	4.2
695.32574	7.7
695.41553	100.0
696.41931	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	696.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03181	0.8
53.03945	1.4
53.56287	1.2
55.05518	14.7
55.28654	1.1
55.36147	0.9
57.03440	5.1
57.07079	9.9
61.02649	1.9
61.02932	25.6
65.03950	1.5
67.05511	67.7
69.03418	3.5
69.06733	1.5
69.07078	21.3
71.04985	2.3
71.08652	6.3
73.02921	11.2
78.65079	1.0
79.05497	18.5
81.03412	2.1
81.07066	80.1
83.08624	16.8
85.02429	2.0
85.02913	30.7
85.06541	3.1
85.10190	2.2
91.03411	1.3
91.03967	24.6
91.05486	16.2
93.07053	22.4
95.04967	1.2
95.08617	72.3
97.02901	15.3
97.06548	5.9
97.10178	12.1
98.20761	4.2
99.04466	1.9
99.08081	3.7
103.03956	1.1
105.07034	9.1
107.08597	15.1
109.10168	36.8
109.10924	1.8
111.08089	2.7
111.11701	3.2
112.07574	1.5
113.09660	1.9
115.03992	1.3
119.08591	12.4
121.10150	20.3
123.11723	18.5
125.09673	1.2
125.13286	2.3
127.03947	10.8
127.11146	1.6
133.10147	14.6
135.11703	11.4
137.09654	1.9
137.13284	10.0
139.11118	1.4
141.12735	4.0
142.00642	1.0
145.04968	13.3
147.11711	7.9
149.13254	12.4
151.11139	1.3
151.14821	6.6
155.14319	4.7
161.13287	12.6
163.06029	21.2
163.14821	10.6
165.16415	6.7
169.15840	1.2
175.14827	11.6
177.16347	1.8
178.37158	1.2
179.14276	1.5
179.17973	8.1
181.15854	1.6
183.13777	1.1
184.07368	1.1
189.16396	4.6
193.15909	2.1
203.17909	2.4
207.17497	1.3
217.19592	2.8
245.22675	67.4
246.23035	1.5
247.24228	1.3
263.23727	100.0
264.24045	2.8
265.25385	3.6
281.24780	3.2
334.36566	1.2
337.27420	50.1
349.16437	1.2
355.28406	9.0
398.61142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04350	0.2
53.03951	0.4
55.01867	0.4
55.05508	0.9
57.03444	1.7
57.79651	0.2
61.02930	4.3
62.49683	0.2
64.90245	0.2
67.05515	2.3
69.03433	2.1
69.07070	0.6
69.66543	1.5
71.01349	0.2
71.04992	0.6
72.00441	0.2
73.02924	2.9
78.12278	0.2
79.05505	2.5
81.03426	5.2
81.07064	2.4
82.99530	0.2
83.04993	1.2
83.08612	1.6
83.19343	0.2
85.02915	6.1
87.04443	0.3
91.03958	2.2
91.05486	3.5
93.07063	1.8
95.04980	2.3
95.08620	0.8
97.02906	3.8
97.06567	0.6
97.10179	0.3
99.04466	0.7
101.02388	1.6
105.07038	2.4
107.04964	0.6
107.08606	0.8
109.02895	0.7
109.06528	0.5
109.10203	0.3
111.04462	0.3
111.08111	0.8
115.03943	0.3
117.06934	0.2
119.08603	2.1
121.10154	0.9
122.15154	0.3
126.36121	0.2
127.03955	1.1
129.07010	1.0
131.08557	1.2
133.10149	1.6
137.09631	0.3
142.07840	0.4
145.04915	0.3
147.11690	1.5
149.09709	0.5
156.73660	0.2
157.10109	1.3
159.06496	0.3
175.11243	0.9
185.04218	0.4
193.12289	2.2
203.05305	0.3
211.13329	1.1
228.23395	0.2
243.08426	2.2
251.12611	1.8
270.53140	0.2
285.16986	0.6
307.15210	1.0
331.54868	0.2
389.34854	0.2
469.20511	12.8
470.20825	0.3
672.38483	0.2
697.34076	100.0
698.34369	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	697.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14084	0.3
51.36947	0.3
55.01873	0.4
55.05508	1.1
56.96564	0.8
57.03433	1.3
61.02934	4.1
67.05515	2.1
69.03439	2.6
69.07080	0.8
69.85574	1.8
71.04997	0.6
73.02917	2.5
79.05495	2.7
81.03429	6.3
81.07057	2.5
82.07545	0.4
83.04983	1.4
83.08627	2.3
83.61224	0.4
85.02914	7.3
91.03951	2.4
91.05478	3.0
93.07059	1.4
95.04991	2.4
95.08617	1.2
97.02895	3.7
97.06536	0.4
99.04497	0.5
101.02402	1.7
105.07043	1.8
107.04974	0.7
107.08590	0.7
109.02902	0.6
109.06564	0.4
109.10176	0.6
110.43235	0.3
111.08073	0.9
114.92876	0.4
119.08594	2.0
121.10165	1.4
125.09585	0.4
127.03923	1.5
129.07033	1.1
131.08603	1.2
133.10124	1.3
137.09602	0.5
145.10310	0.3
147.04327	0.4
147.11726	1.4
149.09630	0.5
151.11179	0.3
157.10136	1.6
163.04037	0.4
175.11215	1.3
193.12254	3.7
211.13324	1.8
229.07451	1.6
243.08435	2.4
247.08585	1.0
251.12546	3.7
269.10672	1.2
274.06778	0.3
285.10419	0.4
287.05533	4.4
297.25943	0.3
307.15256	1.3
331.15656	0.5
333.17545	0.5
351.18588	1.2
367.17947	2.7
369.19467	2.0
387.20633	1.5
431.20248	0.4
469.20581	14.4
470.20685	0.5
653.32269	0.5
697.34058	100.0
698.34326	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	697.3415
Annotation	9-{6-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2,3-dimethoxyphenoxy}-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Peak:m/z	Relative Intensity
53.03946	0.9
54.35473	0.6
55.05494	1.6
56.96573	1.1
57.03445	1.5
59.05006	0.8
61.02925	2.9
67.05511	5.6
69.03433	2.9
69.07063	1.4
69.65533	0.6
71.04983	1.4
71.55663	0.7
73.02928	2.0
75.20344	0.6
79.05496	3.4
81.03432	6.3
81.07068	3.5
82.83270	0.7
83.04986	2.3
83.08632	2.2
85.02914	5.8
91.03960	1.8
91.05489	5.0
93.07061	2.5
94.07367	0.7
95.04990	3.1
95.08623	1.7
97.02899	2.9
97.06531	2.0
99.04452	0.9
101.02422	1.5
105.07022	3.5
107.04993	1.4
107.08614	2.1
109.02924	0.8
109.06511	0.9
109.10161	1.1
111.08092	1.7
117.07007	0.8
119.04930	1.0
119.08599	2.4
121.10195	1.7
124.73103	0.6
127.03944	1.3
129.07027	1.0
131.08618	1.4
133.10141	3.0
135.11732	0.9
147.04433	1.5
147.08075	1.1
147.11757	1.8
149.09602	1.3
151.07651	0.8
153.01804	0.8
157.10170	1.8
163.03923	1.0
163.11244	0.7
175.11302	1.2
179.71010	0.6
193.12305	2.8
197.13548	0.8
211.13377	1.7
243.08543	2.0
251.12613	3.1
286.10593	0.7
287.05487	6.1
291.63910	0.8
410.61859	0.7
437.18094	2.1
469.20471	10.7
501.23349	2.9
535.23523	1.5
697.33997	100.0
698.34290	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	699.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.03938	0.2
55.01874	0.3
55.05500	0.3
56.96553	0.2
57.03416	0.4
60.42288	0.1
61.02910	0.3
65.03655	0.2
65.03947	2.3
67.05489	0.6
69.03423	0.3
69.07053	0.2
69.71893	0.5
69.72289	0.3
70.06581	0.2
73.02907	0.2
75.07711	0.2
79.05490	0.5
79.37785	0.2
81.03429	0.4
81.07031	0.5
83.04975	0.2
83.08618	0.2
85.02888	0.6
85.73004	0.1
86.99721	0.1
91.05491	17.2
92.05823	0.2
93.07057	0.4
95.04968	0.5
95.08604	0.3
97.02876	0.4
97.06530	0.3
101.02402	0.3
105.07037	0.4
107.04999	0.1
107.08611	0.3
109.10162	0.3
112.99194	0.1
117.03390	0.2
117.06999	0.2
119.04959	30.9
119.76807	0.1
120.05273	0.3
121.10146	0.2
122.03629	0.2
123.08086	0.2
127.03992	0.1
133.10210	0.3
137.05977	1.5
145.02872	0.5
147.04427	100.0
148.04764	1.0
151.03960	0.3
151.05011	0.2
153.01836	2.3
163.03925	0.3
177.05490	0.9
183.04582	0.2
193.06549	0.3
221.06151	0.3
221.08105	1.3
227.12669	0.1
237.05592	0.3
241.05014	0.2
249.05547	0.2
257.04565	0.7
265.04965	1.3
267.09195	0.2
281.04663	0.9
281.08231	1.0
285.03906	0.2
285.10196	0.4
286.04935	0.4
287.05569	0.2
293.04584	0.6
297.04099	0.5
311.05530	5.3
334.08340	0.2
337.03476	2.9
345.07965	0.3
373.07306	0.7
390.07547	0.6
401.06613	1.1
405.09796	0.9
417.06259	0.2
418.06992	1.3
433.09280	2.7
435.10791	0.2
446.06567	0.4
453.21289	0.2
461.08664	2.0
469.20865	0.2
471.15814	0.4
479.10248	0.1
535.12616	0.2
553.13483	7.8
628.07458	0.2
681.16510	0.7
681.31793	0.3
698.34174	0.8
699.18054	1.4
699.35919	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	699.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
53.09501	0.3
54.96211	0.4
55.01879	0.5
55.05504	0.8
56.96559	0.7
57.03439	2.0
58.17629	0.4
59.04991	0.6
59.99306	0.4
61.02934	3.6
61.94353	0.4
65.03945	0.5
67.05509	2.7
69.03430	2.5
69.07069	0.9
70.06605	0.5
71.01368	0.6
71.04990	1.2
73.00759	0.3
73.02935	2.7
79.05507	3.5
81.03434	3.9
81.07067	2.8
82.72623	0.3
83.04996	0.9
83.08610	0.8
85.02904	3.1
85.06555	0.5
87.04489	0.4
91.03979	1.9
91.05486	4.0
93.07052	3.5
95.04989	1.5
95.08630	1.1
97.02910	3.6
97.06549	1.6
97.10176	0.7
98.21539	0.5
99.04463	0.6
101.02386	1.5
103.03971	0.9
105.07052	1.6
107.08617	2.0
108.25851	0.3
109.02887	0.9
109.06531	0.5
109.10182	0.9
111.04543	0.5
111.08131	0.7
115.03963	0.4
119.04958	1.7
119.08575	1.3
121.06573	0.4
121.10204	1.5
123.11592	0.3
127.03931	1.0
129.07079	0.6
131.08595	1.3
131.25781	0.3
133.10161	1.4
135.11703	2.3
137.06038	0.6
145.02892	0.7
145.10153	0.5
147.04422	6.3
147.11722	1.0
149.09639	1.9
153.01888	0.6
157.10210	1.2
163.03909	0.3
175.11259	0.7
177.05563	0.9
181.12254	0.8
192.00887	0.3
193.12325	1.4
211.13272	0.4
221.11578	0.7
221.15187	0.4
225.14966	0.7
241.04659	0.4
243.08505	1.8
250.27931	0.3
257.04333	0.4
267.16113	0.9
283.15216	3.1
286.04807	0.7
297.04062	0.5
339.17776	0.6
439.19434	8.2
439.25107	0.6
469.20551	0.6
501.23117	8.8
553.13214	0.6
699.35657	100.0
700.36298	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01877	0.5
55.05492	0.7
56.96568	0.4
57.03419	1.7
61.02926	3.5
65.03939	3.2
67.05508	3.9
69.03431	2.5
69.07059	1.3
71.05003	2.6
73.02922	2.3
73.73240	0.4
79.05490	3.1
81.03413	3.3
81.07068	2.2
83.05009	0.8
83.08626	0.5
85.02908	4.8
89.03892	0.7
91.03960	2.0
91.05489	20.7
93.07066	2.3
95.04969	1.9
95.08590	1.0
97.02900	3.4
97.06535	1.0
97.10181	0.4
99.04485	0.6
99.08165	0.5
100.60149	0.4
101.02372	1.2
105.07015	1.5
107.04932	0.5
107.08565	1.1
109.02892	0.7
109.06523	0.4
109.10172	2.8
109.23919	0.4
111.08072	0.6
117.03384	0.7
117.07024	0.4
119.04948	32.6
119.08577	3.0
120.05183	0.4
121.06492	0.6
121.10143	0.7
127.03927	1.5
129.07005	0.7
131.08585	0.8
133.10135	1.3
135.11714	1.0
137.05971	3.2
137.09613	1.3
145.02837	1.5
145.10141	0.8
147.04417	100.0
147.11734	0.9
148.04767	2.1
149.05992	0.5
149.09552	0.5
153.01842	3.5
157.10149	0.7
173.11736	0.5
177.05495	4.5
181.64978	0.4
193.12231	0.8
203.03429	0.9
211.13228	0.5
221.08118	1.9
229.04956	0.7
241.05035	0.4
243.08548	1.6
243.16025	0.8
251.12613	1.0
253.14229	0.8
257.04504	4.9
258.05069	2.1
285.03796	0.7
286.04727	4.9
287.05560	0.8
297.03851	2.4
337.03336	0.6
373.07339	0.8
390.07501	1.2
401.06705	1.2
405.09708	2.0
418.06879	2.5
433.09171	2.7
439.19485	0.6
446.06308	0.4
453.20477	0.4
461.08652	4.0
469.20593	6.8
471.21991	4.3
479.10019	1.2
501.54681	0.6
553.13446	8.8
554.14124	0.7
699.18481	4.3
699.35638	77.3
700.17651	0.7
700.35809	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	700.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40607	0.6
55.05521	5.6
57.03450	3.7
57.07083	40.9
61.02647	1.2
61.02934	16.9
61.35797	0.8
67.05167	1.1
67.05511	14.0
69.03413	2.0
69.07073	7.9
69.74892	3.9
71.08640	34.8
73.02923	4.2
75.04474	2.4
79.05493	2.1
81.03419	1.7
81.07069	18.9
81.89376	0.9
83.08634	10.0
85.02918	16.6
85.09711	1.3
85.10190	17.6
86.09699	2.5
89.06044	1.0
91.03965	14.8
91.33760	0.7
92.05000	2.0
93.05707	0.8
93.07042	1.4
95.08615	25.4
97.02901	7.9
97.10169	8.7
98.21517	0.9
99.04457	1.3
103.07606	1.2
105.07069	1.2
107.08605	1.0
109.10167	11.8
110.06036	1.8
111.11735	4.0
113.13288	0.9
119.08560	0.9
123.11700	4.9
125.00050	1.2
125.13288	0.9
127.03952	5.6
127.14882	0.7
137.13257	2.3
145.04997	7.4
151.14832	0.8
163.06035	9.7
165.09166	1.5
184.07359	4.7
216.31992	0.7
249.25674	1.5
252.58171	0.7
253.76561	0.7
267.26865	20.9
272.11371	3.1
285.27927	4.0
326.30914	0.9
341.30533	100.0
342.30859	2.1
359.31586	26.7
547.39948	0.7
674.14398	0.8
700.44525	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	701.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86045	1.1
71.55703	1.6
74.20967	1.2
79.05486	1.9
81.07034	1.9
90.87270	1.0
91.05489	1.5
102.09007	1.2
104.10741	5.3
105.07017	2.1
109.73027	1.3
137.75389	1.1
184.07379	2.4
197.10823	1.3
198.09282	1.6
211.08656	2.0
225.10268	4.3
227.11755	2.6
237.06688	1.6
237.10248	2.3
239.08221	2.0
239.11853	6.2
241.13489	2.9
251.07997	1.4
253.09795	2.7
253.13361	2.2
255.11258	7.7
265.06149	5.2
265.09973	2.5
267.07770	1.7
267.11252	7.0
268.12009	2.0
269.12830	2.8
271.10623	3.0
293.05600	2.6
339.09683	1.7
352.10437	1.4
353.11725	1.9
367.12616	2.1
427.15027	2.9
427.24823	1.3
447.18396	1.9
459.17715	6.5
489.19263	2.7
491.19995	1.7
507.20444	3.0
577.24280	2.8
605.23444	4.6
609.27112	1.6
637.26593	100.0
638.26642	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	701.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
67.05499	1.5
71.24283	0.3
71.24762	0.8
79.05486	0.7
81.07065	1.0
91.05489	0.5
93.07068	0.6
105.07037	0.5
109.10169	0.4
119.08615	0.5
122.58051	0.4
161.03049	0.4
185.04288	0.8
188.38023	0.3
216.93800	0.3
219.17511	0.4
222.75208	0.4
223.93738	0.3
229.14348	0.5
230.14624	0.3
245.42590	0.4
249.55829	0.3
259.08084	0.4
321.22714	0.8
347.09683	0.7
496.08881	0.3
504.34076	1.0
511.11725	1.0
539.31940	17.9
540.32532	0.5
613.18427	1.1
641.17786	3.2
642.17383	1.0
701.37219	100.0
702.37396	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	702.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
52.24503	0.4
53.03947	2.0
55.01870	3.8
55.77700	0.4
57.03428	1.2
61.02923	2.1
65.03929	1.1
65.99391	0.3
67.05502	0.5
69.03432	3.7
69.24720	1.0
69.25136	2.4
69.28036	0.3
70.06582	0.6
71.04990	0.5
73.02911	0.5
75.04456	1.2
77.03919	0.6
78.04716	1.1
79.05496	0.9
81.03436	2.6
85.02912	15.8
85.03432	0.8
89.03911	0.6
91.03954	0.9
91.05489	11.2
93.03416	5.3
93.06478	0.5
93.07052	10.5
95.04957	2.7
97.02896	4.3
97.06531	1.2
98.97591	0.5
99.04458	1.0
101.00085	0.4
103.05474	9.2
105.03429	0.5
105.04507	0.7
105.07047	2.2
106.04180	10.9
107.04947	2.7
109.02862	1.2
109.06548	0.7
117.03378	0.5
118.04164	0.7
119.04919	0.8
119.65897	0.3
120.08231	0.4
121.06514	28.1
123.04377	0.9
123.08051	0.4
125.06001	3.1
127.03915	3.4
129.02238	0.4
131.04932	1.5
131.06015	0.8
132.67511	0.4
133.06470	1.6
134.03612	1.9
135.04434	1.0
137.05988	2.3
137.72447	0.4
138.06725	0.4
139.07608	0.5
139.88467	0.4
145.02841	1.1
145.04947	3.8
147.04436	0.8
148.05180	1.3
149.05991	46.1
150.06674	0.5
151.02116	0.7
151.03960	0.6
151.07536	1.1
153.05481	1.0
153.09114	5.4
161.05986	1.9
162.01363	0.9
163.03900	1.5
163.07596	2.0
165.05394	0.5
165.09116	0.5
166.06259	1.2
167.07083	3.0
173.13181	0.4
177.05490	11.8
179.01630	0.5
180.07819	1.2
181.08606	27.3
190.00792	0.7
191.07040	3.1
193.08633	5.7
207.06604	0.7
207.08850	0.9
208.01915	0.7
209.08101	100.0
210.08473	0.7
223.04251	12.4
274.29950	0.4
276.93784	0.4
312.08987	3.3
330.10303	0.7
371.13480	3.1
448.10312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
52.08582	0.4
53.03957	3.3
55.01878	3.8
56.96553	0.5
57.03428	1.4
61.02937	3.0
65.03952	0.7
66.03037	0.4
69.03437	6.9
70.06588	1.1
71.04976	0.7
71.54871	0.6
72.08167	0.5
73.02914	1.0
77.03942	0.4
79.05492	1.1
81.03429	3.9
82.02988	0.4
83.01332	0.5
85.02914	22.8
87.04463	0.9
91.03967	1.3
91.05494	12.8
93.03412	0.7
93.07056	14.8
94.07372	0.4
95.04973	2.7
97.02910	7.8
97.06494	0.6
99.04476	1.8
101.37109	0.4
103.05485	12.1
105.04498	1.0
105.07042	1.9
106.04192	2.3
107.04986	2.3
109.02898	1.9
117.03397	0.8
118.04200	0.4
119.04949	0.8
121.02875	0.7
121.06516	27.2
122.22726	0.4
127.03247	0.4
127.03951	4.9
131.04926	2.0
131.06081	1.3
133.06482	2.0
135.04356	0.9
137.05960	0.9
145.02840	1.6
145.04980	6.3
145.06248	0.4
145.06509	0.3
147.04376	1.0
148.05283	0.4
149.05997	50.3
150.06723	0.4
151.03952	0.7
153.05469	0.9
153.09126	1.0
161.05978	1.3
162.01303	0.9
163.03951	2.0
163.07558	0.9
165.09137	0.5
166.06329	1.1
167.07057	2.8
176.04762	0.4
177.05490	7.1
180.07883	2.0
181.08612	34.9
182.08928	0.5
190.00841	0.7
190.06303	0.4
191.07011	2.9
193.08640	6.9
195.06624	0.6
195.10179	0.5
207.08829	0.5
208.01813	0.4
209.08110	100.0
210.08504	1.4
219.10129	0.7
223.02066	0.5
223.04254	10.4
312.08905	1.9
330.10251	0.5
371.13397	4.7
654.54706	0.4
702.29816	0.5
720.12000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01868	5.3
55.05515	55.5
55.18536	1.3
57.03227	1.2
57.03444	12.0
57.07077	8.2
59.04991	1.6
61.02919	3.9
65.03921	2.1
67.05509	59.6
69.03442	10.0
69.07076	15.8
69.33936	8.3
69.34338	2.8
71.08620	4.2
73.68311	1.2
73.97723	1.2
77.43606	1.1
79.05499	42.4
80.13925	1.1
81.07061	53.9
83.04980	5.4
83.08147	2.2
83.08622	34.8
85.02901	5.1
85.06570	2.3
85.10171	2.8
87.04479	1.4
87.19777	1.3
89.06017	1.3
91.05487	20.6
93.07050	38.0
95.04974	3.4
95.08614	33.3
97.02863	2.1
97.06528	3.5
97.10179	71.9
105.04429	1.6
105.07034	10.8
107.08602	36.6
109.06510	1.5
109.10168	22.0
110.10463	2.7
111.08085	2.4
111.11739	1.4
117.07026	7.9
119.08570	8.5
121.10146	17.3
121.78384	1.3
123.11705	5.2
124.99930	1.5
125.09644	69.7
131.08565	8.0
133.10121	6.7
135.08037	6.7
135.11702	12.0
137.13272	2.4
143.10689	3.4
145.10127	5.2
147.11687	5.4
149.13269	8.0
153.09119	5.0
157.10139	1.5
159.11694	4.5
161.13254	2.6
163.14905	2.5
171.10141	5.5
173.11865	1.6
173.13268	5.8
175.14769	1.4
184.07343	5.2
187.14838	2.3
189.11226	51.2
191.14320	1.4
227.12793	87.6
227.20062	4.3
228.13010	1.9
243.21106	6.3
245.13861	100.0
246.14027	2.4
261.22159	25.5
267.15912	1.9
279.23206	2.1
313.27304	2.9
317.24460	6.2
335.25818	95.8
413.30838	2.0
467.37268	2.3
468.37634	6.1
487.34134	6.8
505.35229	62.7
506.35471	3.1
523.36127	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	702.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01873	6.1
55.05516	49.8
55.05785	2.4
57.03184	1.5
57.03440	13.1
57.07074	4.8
59.04998	2.5
59.49816	1.2
61.02916	4.3
61.67992	1.3
65.03934	1.2
67.05511	56.6
68.39279	1.1
69.03439	6.4
69.07071	15.6
69.86462	5.6
71.05005	2.3
71.08640	2.0
79.05504	35.5
81.03436	3.9
81.07069	46.5
82.07388	1.5
83.04982	6.4
83.08628	35.7
85.02914	3.1
85.06549	2.1
85.48322	1.1
86.09715	3.3
91.05489	16.8
93.07056	30.6
95.04980	2.4
95.08616	21.7
97.02872	1.4
97.06506	1.7
97.10178	68.0
97.76902	1.1
101.09637	1.3
105.07045	9.4
107.08610	33.8
109.06561	1.4
109.10168	19.9
109.43642	1.2
110.10463	2.5
111.08050	2.5
117.07030	7.9
119.08590	7.0
121.10154	14.1
123.11691	5.6
125.00008	1.5
125.09647	60.5
129.06978	1.3
131.08575	8.6
133.10162	7.1
135.08057	5.1
135.11705	7.6
137.13255	2.1
143.10654	3.5
145.10129	5.3
147.11708	3.4
149.13295	6.7
153.09108	3.6
159.11725	4.6
161.13275	2.3
163.14824	4.9
171.10139	5.3
171.11469	1.2
173.13289	2.6
175.14833	1.4
184.07411	10.7
187.14767	1.4
189.11232	45.2
227.12802	79.3
228.13081	1.2
243.21129	7.5
245.13876	100.0
261.22131	25.2
279.23477	1.8
313.26895	1.5
314.27917	1.3
317.24713	4.7
335.25839	63.7
353.26880	1.7
413.30298	1.4
431.31616	2.4
441.98724	1.3
468.37793	6.5
487.34152	9.5
505.35291	37.9
523.36139	2.5
529.39081	1.9
642.26239	2.5
670.26727	3.4
702.28601	6.0
702.46289	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	704.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.8
55.68707	1.8
56.05056	2.1
57.03428	2.2
65.03953	2.1
69.03427	3.2
70.06581	6.2
70.80853	4.6
79.05493	3.6
81.03433	4.1
82.06588	2.1
84.04552	2.0
84.08129	4.0
85.02930	11.5
91.05469	8.5
93.07056	7.9
94.06571	8.6
95.04980	5.3
95.07349	10.7
95.60313	2.1
96.08155	16.9
97.02909	2.1
97.06493	5.3
98.97596	3.7
108.08125	16.1
109.02879	4.2
110.09700	40.1
120.08125	28.9
121.02876	17.9
124.03952	4.0
127.03867	2.5
129.10245	2.7
136.07603	12.1
137.05972	3.6
138.09172	50.4
139.03868	2.3
146.06035	13.4
148.07584	7.0
150.09081	2.8
162.05518	2.4
163.03937	5.5
166.04922	2.5
166.08667	90.6
190.05144	2.0
191.42960	2.2
206.08174	6.2
225.10118	3.1
227.08228	5.1
237.10239	11.1
239.08212	2.5
241.09814	5.8
250.60631	2.0
251.08318	3.7
253.09843	12.7
255.11293	3.4
265.07126	3.3
265.09717	24.3
266.08051	3.0
267.07748	2.4
267.11343	6.2
268.08325	2.7
281.09317	16.8
283.10779	12.6
291.11636	2.3
293.09125	16.2
295.10825	16.6
299.10367	7.7
301.11832	4.7
309.08655	5.1
311.10345	16.3
313.11862	8.0
321.08810	10.0
321.32022	2.1
327.09821	20.9
330.20053	2.2
339.09763	29.9
341.11700	3.7
353.11261	5.0
359.12427	39.0
371.12451	21.6
418.17603	5.2
436.18585	3.3
446.17184	7.2
448.18576	4.6
464.18405	21.1
466.19742	5.9
475.53302	2.1
492.17709	100.0
493.17892	2.6
496.21924	2.9
506.19086	9.3
510.18576	6.3
524.20374	71.4
525.19940	4.5
666.11560	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	705.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59529	3.1
51.02378	4.0
53.03951	14.9
55.01883	16.3
55.05302	3.0
55.05517	36.9
55.44316	2.9
57.03445	20.1
57.07069	6.0
59.04997	2.9
60.04824	2.7
61.02919	5.6
65.03954	7.9
66.61571	3.3
67.05173	5.4
67.05510	100.0
69.03089	4.3
69.03436	54.9
69.07077	26.7
71.01353	7.6
71.04991	16.9
73.02911	4.9
79.05064	5.6
79.05505	90.9
81.02985	4.9
81.03426	61.6
81.07067	93.1
83.04995	32.1
83.08629	20.6
85.02910	21.4
85.06540	5.4
86.09703	4.9
87.04481	3.5
89.51782	2.8
91.05489	82.4
93.07053	81.8
95.04971	26.2
95.08613	64.2
97.02895	30.4
97.06540	15.8
97.10175	9.5
98.21523	7.3
99.04465	12.3
103.05409	5.1
105.07042	56.3
107.04982	17.9
107.08602	50.6
109.02885	19.0
109.06537	9.4
109.10166	34.9
111.04446	20.2
111.08079	8.8
115.05481	5.2
117.07014	29.8
119.08586	47.0
120.84818	3.0
121.06519	11.1
121.10162	40.2
123.04456	2.8
123.08077	7.5
123.11697	8.8
124.66365	2.9
124.99998	3.3
125.09594	6.9
127.03922	22.9
128.06206	5.6
129.07016	24.1
130.07820	2.9
131.08571	35.7
133.06468	7.7
133.10127	31.5
135.08080	9.6
135.11710	33.7
136.12085	3.2
137.09644	6.3
141.07007	7.0
142.07687	4.0
143.08548	14.4
145.06453	6.8
145.10133	46.6
147.08044	9.3
147.11723	21.1
149.09618	8.2
149.13283	10.8
151.11168	5.9
153.12747	19.6
155.08536	11.1
157.06471	4.1
157.10133	15.7
159.08046	7.0
159.11641	15.0
161.09627	8.7
161.13277	6.5
163.11211	34.4
163.14822	3.3
165.12743	3.8
167.08556	5.8
169.10110	6.3
171.11641	6.0
173.04474	12.2
173.09610	9.8
173.11940	3.1
173.13283	14.0
175.11182	6.5
175.14867	5.1
177.12740	4.4
181.10184	3.7
181.12242	10.5
183.11696	9.3
184.07347	10.4
185.09625	6.1
185.13289	10.5
187.14745	5.0
189.11263	4.7
191.10674	16.2
195.11668	4.4
197.13368	4.8
201.12715	4.1
202.36223	2.9
205.12369	3.6
209.11720	41.1
209.13394	4.0
211.11162	3.4
227.12778	32.8
229.14191	5.6
243.21132	3.7
247.91269	3.2
259.20596	7.1
261.22144	7.5
273.22076	3.9
283.15393	21.9
289.21713	5.1
291.23193	5.7
301.16531	9.0
301.21561	7.0
315.23251	6.2
317.24591	3.4
327.23285	5.0
335.25809	8.5
339.23483	3.8
341.24979	3.8
351.23245	7.2
353.15979	5.3
369.24298	15.7
387.25153	5.7
405.26306	5.7
425.26855	3.9
427.19681	7.0
443.27682	4.0
461.28558	5.4
469.33145	4.1
506.35498	3.4
525.35413	9.9
543.36969	36.9
561.37555	8.5
651.39453	4.0
669.39838	26.1
687.41260	22.3
705.30994	4.9
705.42114	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	706.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.1
53.03942	4.3
55.01870	4.8
55.05514	18.8
56.61507	1.0
56.96571	1.3
57.03437	12.2
59.04990	2.6
61.02910	3.8
65.03904	1.1
67.05508	21.8
69.03425	5.2
69.07076	6.2
69.20445	1.0
70.74511	2.5
71.01358	1.5
71.04995	4.8
71.59042	0.9
73.02906	2.5
79.05495	20.5
79.50416	1.0
80.95243	0.9
81.03419	46.5
81.07057	27.5
83.01360	1.3
83.04977	13.8
83.08150	1.1
83.08624	20.8
85.02910	18.2
85.06535	3.1
91.03948	1.5
91.05484	35.1
93.07056	20.7
94.07397	1.0
95.04977	20.2
95.08606	9.9
97.02898	8.4
97.06536	8.5
97.10172	3.0
98.97609	2.9
99.00802	11.6
99.04453	1.3
102.85340	1.1
103.05422	1.2
105.06391	2.0
105.07038	24.0
106.44371	1.2
107.04955	9.4
107.08603	10.1
109.02890	8.6
109.06538	5.5
109.10160	5.6
111.04444	3.4
111.08089	9.7
113.06007	1.3
115.03921	1.8
115.05446	1.4
117.07045	3.9
119.04906	1.5
119.08593	18.1
119.40659	1.1
121.06499	7.2
121.10162	7.7
123.04420	1.9
123.08077	3.4
123.11664	2.9
125.06008	1.3
125.09650	2.1
127.03912	2.5
128.06195	1.9
129.06979	5.5
131.08543	7.9
133.06516	2.8
133.10136	30.3
135.08072	2.2
135.11690	4.7
137.06052	1.6
137.09608	2.8
139.07562	1.6
142.07819	1.2
143.08566	3.0
145.06462	1.4
145.10159	5.4
147.04425	1.8
147.08043	2.9
147.11687	9.5
149.09628	3.4
151.11168	8.0
157.10149	10.1
158.99603	1.6
161.09618	12.7
163.03976	1.4
163.11179	6.2
165.09077	1.2
165.12782	2.1
171.08089	2.6
173.04384	1.2
173.09607	1.2
175.11180	8.9
179.10690	7.1
181.12196	1.1
184.60318	1.0
185.68852	1.2
189.09126	5.3
189.10794	1.1
191.10699	1.2
193.12248	28.9
197.11758	2.5
207.10236	2.0
209.11719	2.7
211.13301	51.4
217.63330	1.1
219.13805	1.5
225.11261	9.8
227.12834	5.1
229.14406	1.9
243.12309	2.4
263.61972	1.0
265.14365	2.4
267.15921	17.7
281.13867	3.8
283.15451	10.7
285.10233	2.9
285.16968	36.7
287.05313	1.2
299.14902	59.8
301.16428	3.2
383.11084	1.6
459.27280	1.9
473.25266	4.2
477.28323	2.9
491.26483	18.7
492.26672	1.3
509.27487	100.0
510.27838	3.8
527.28125	1.4
604.36688	1.1
657.32391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73845	2.9
55.01866	6.5
55.05523	23.1
57.03429	12.6
61.02923	8.9
67.05505	33.7
69.03429	10.2
69.07059	10.0
71.04967	5.0
71.54749	3.6
73.02885	3.3
76.33160	3.0
77.05443	3.3
79.05501	33.5
81.03423	90.6
81.07063	35.6
83.04970	11.5
83.08626	17.8
84.09027	3.2
85.02901	5.4
86.09705	11.8
87.09454	3.1
91.05486	33.1
93.07059	27.4
95.04976	32.8
95.08593	16.1
97.02908	5.8
97.06550	6.5
97.10179	15.2
98.98407	3.8
99.04485	4.6
103.05534	3.7
105.07054	22.6
107.04967	18.9
107.08606	18.4
109.02834	4.0
109.06493	7.9
109.10156	11.7
111.04486	4.7
111.08079	4.0
115.05466	5.4
117.07040	9.9
119.08619	18.4
121.06506	13.0
121.10162	10.1
123.08105	5.5
124.99992	4.1
125.09638	9.6
129.06993	13.6
131.08601	17.7
132.40758	3.1
133.10127	10.8
135.08043	7.4
135.11674	4.6
137.06000	4.8
143.08565	7.3
145.06572	5.0
145.10141	7.2
147.08040	4.5
147.11711	10.6
149.09641	6.3
153.09152	3.1
157.10161	14.2
159.08063	3.9
159.11624	6.4
161.13258	4.7
163.11264	3.9
171.11737	6.6
175.11189	6.4
183.08289	3.3
183.11671	4.3
184.07367	22.0
189.11122	3.8
193.12198	25.2
206.39188	3.6
209.68335	3.2
211.13324	4.0
223.13324	3.4
227.12782	4.3
233.15311	3.3
247.29395	3.7
259.13397	4.9
267.15927	80.2
273.14813	3.5
275.20267	3.2
283.15335	5.3
349.21350	5.5
367.22775	17.0
385.23889	21.2
403.24933	9.4
441.26294	4.2
459.27423	100.0
460.27707	3.6
477.28461	68.2
491.29559	7.9
501.28418	4.6
526.35986	4.9
543.36853	6.3
544.37323	29.0
688.18054	3.9
688.40387	3.7
706.41541	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.1
55.05510	13.7
56.96564	4.0
57.03439	13.7
61.02911	1.8
65.03934	1.8
67.05506	22.4
69.03421	3.6
69.07069	7.4
71.01340	1.0
71.04984	4.4
73.02912	0.7
79.05495	22.1
81.03419	88.1
81.07059	24.7
83.04982	11.2
83.08149	1.3
83.08622	21.5
85.02443	1.0
85.02910	14.1
85.06514	1.1
86.66059	0.7
87.81677	0.8
89.03903	2.7
91.05484	29.2
93.07041	15.9
95.04969	29.0
95.08605	9.5
97.02901	6.0
97.06515	6.6
97.10163	6.3
99.79498	0.7
101.68513	0.9
103.05475	1.5
105.07034	17.2
107.04967	9.9
107.08601	9.0
109.02886	1.7
109.06498	5.0
109.10138	5.4
111.04432	3.5
111.08069	9.6
112.99117	1.1
113.06000	1.9
115.05460	2.3
117.03347	5.6
117.07001	3.6
119.04934	5.7
119.08585	18.1
119.09440	0.9
121.06525	4.0
121.10148	10.1
123.04418	1.2
123.08037	3.4
123.11732	1.1
125.05954	0.9
125.09624	3.8
128.06209	1.0
129.07002	11.2
131.04927	1.0
131.08566	12.1
133.06487	4.6
133.10146	9.9
135.04427	1.6
135.08058	2.3
135.11664	2.6
137.06062	1.1
137.09575	2.4
141.06952	0.9
142.07774	3.4
143.08539	2.1
145.02852	12.3
145.06480	4.3
145.10112	4.0
146.03201	1.0
147.04420	15.9
147.08080	4.9
147.11674	11.7
148.04750	1.3
149.05948	2.4
149.09625	7.5
151.11229	1.5
153.12743	1.0
155.08540	1.4
157.06439	1.5
157.10135	14.1
159.08034	1.1
159.11707	0.8
161.05971	1.1
161.09616	1.5
163.03925	4.2
163.11215	5.7
165.12726	2.8
171.08061	1.3
173.09633	2.1
173.11681	1.0
175.11183	13.1
177.04033	1.4
177.05472	15.7
178.05917	1.3
179.10582	0.8
183.08101	0.8
185.13258	1.0
189.09032	1.0
189.11234	1.5
191.10614	0.9
193.12241	36.2
194.12566	0.8
195.11613	1.2
197.13263	1.1
205.12248	1.2
209.11691	1.8
211.13293	21.2
215.06975	1.1
221.01262	0.9
227.12772	3.4
229.14301	2.4
233.15340	1.2
237.12717	0.9
239.02299	7.1
249.14896	2.1
251.09215	1.5
255.13782	1.8
257.03137	3.7
267.15912	100.0
268.16208	2.4
269.03409	4.2
273.14841	4.8
283.15350	6.7
285.09927	1.7
285.16959	21.4
286.04797	2.0
287.04614	3.4
295.04919	1.2
299.14832	4.1
301.16449	1.5
331.01611	0.9
339.23108	1.9
341.20935	1.8
349.21585	4.1
367.22696	11.2
383.11295	3.8
385.23749	9.7
397.12732	3.1
403.24725	2.5
405.24243	1.0
433.25916	12.4
434.11169	12.2
434.61469	4.0
441.08774	1.2
441.26205	6.7
453.08618	1.9
459.27390	58.8
460.27789	2.7
471.09494	2.7
473.25348	1.2
477.28510	42.1
478.28845	0.9
491.25723	5.1
509.27332	9.4
519.28809	1.0
527.28497	1.1
585.31018	1.0
706.37769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01870	14.1
55.05267	2.5
55.05515	39.7
57.03442	22.6
57.07066	2.9
59.05006	4.2
61.02916	7.7
65.03933	4.9
67.05505	74.7
69.03416	5.9
69.07073	14.3
69.96079	3.7
69.96495	7.2
70.03347	1.8
71.01340	4.7
71.05003	10.4
73.02918	4.0
79.05496	53.7
81.03425	66.6
81.06587	2.5
81.07062	48.9
81.44294	1.7
83.01339	8.5
83.04987	27.8
83.08624	24.5
83.20364	1.7
85.02910	18.2
85.06535	3.1
87.04436	4.8
91.03929	2.9
91.05482	57.6
93.07050	47.4
95.04990	27.9
95.08605	20.6
97.02915	12.2
97.06548	9.8
97.10179	11.1
99.04453	3.3
99.08090	3.0
105.07039	37.5
107.04967	23.4
107.08601	21.0
109.02923	2.3
109.06528	11.0
109.10162	45.6
111.04443	4.3
111.08098	9.4
117.07016	8.1
119.08588	23.0
121.06496	6.6
121.10149	12.4
123.04414	2.2
123.08074	9.1
125.09647	10.5
127.03907	2.1
128.06271	2.1
129.06992	14.5
131.08577	19.1
133.06540	4.2
133.10123	22.7
135.08116	3.9
135.11685	15.4
137.09608	5.1
142.07730	4.1
145.02809	3.2
145.10127	22.0
147.04436	5.2
147.08064	6.2
147.11707	18.0
149.09607	5.7
151.11238	3.9
153.12747	7.0
155.08501	2.6
157.10124	17.3
163.11182	26.6
165.12709	2.0
173.09625	3.9
173.11771	13.7
175.11194	11.4
177.05501	6.4
181.12256	5.9
191.10718	4.5
193.12259	23.2
199.13341	2.2
209.11807	12.1
227.12869	10.6
227.15323	1.5
229.14351	28.7
234.19937	2.0
267.15924	94.3
283.15402	64.3
301.16489	9.3
320.86603	2.3
406.24069	1.8
433.25729	2.8
437.25421	14.3
441.26651	2.3
459.27429	100.0
460.27771	3.8
477.12329	2.3
477.28577	4.1
491.26239	8.4
509.20151	4.1
509.27399	59.3
510.28134	2.6
527.28510	38.3
537.04089	2.0
706.27460	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	707.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99474	0.3
52.21526	0.3
64.74440	0.3
65.88965	0.4
68.98275	0.3
69.17010	3.8
72.16631	0.3
74.37589	0.3
82.99881	1.0
83.35918	0.4
85.02908	0.4
86.28636	0.4
97.02917	0.4
101.00893	6.4
109.02924	0.4
113.00900	1.3
115.02467	0.4
119.01935	7.7
122.01379	0.6
127.02431	1.6
129.00304	0.4
131.01901	3.5
137.01921	0.7
137.02962	0.5
139.02428	1.0
143.01912	16.6
144.77583	0.4
145.03462	6.1
147.01443	0.6
152.02475	0.5
153.03894	0.4
155.01906	10.6
157.03485	3.8
161.02972	12.7
167.01923	9.1
169.03484	2.7
171.05025	2.4
173.02974	11.9
175.04559	0.9
179.01895	4.0
179.33186	0.4
181.03424	0.7
185.02983	30.1
186.03012	0.6
187.04550	3.1
191.04041	0.7
197.02983	13.2
197.04770	0.8
199.04584	0.8
203.04018	7.0
208.04570	0.6
209.02998	1.4
215.04018	6.7
221.05023	0.8
227.04022	7.9
233.05153	0.4
239.04013	1.0
245.05099	100.0
246.05222	2.2
254.05666	0.7
257.05093	5.0
263.06168	11.4
269.05014	0.7
275.06134	10.8
276.06219	0.5
284.06644	0.6
286.07782	0.5
287.06161	0.7
293.07324	2.7
305.07224	10.0
317.07166	0.7
335.08328	2.6
347.08246	1.1
361.83630	0.4
365.09329	43.2
366.09515	1.5
383.10214	1.9
407.10394	0.5
425.11453	32.8
426.11633	1.0
437.11536	2.4
455.12408	1.5
485.13672	0.5
563.48053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05508	1.7
57.07069	0.9
64.35698	0.6
67.05511	4.2
69.07085	1.0
69.35091	5.6
79.05503	2.4
81.03414	1.8
81.07076	3.8
83.04980	1.2
83.08608	1.5
86.09714	2.3
87.04478	2.7
91.05482	2.3
93.07030	3.0
95.08629	3.0
97.02896	1.0
105.07069	1.8
107.05032	0.6
107.08587	1.6
109.10217	1.3
116.20436	0.6
119.08604	1.2
121.10144	1.1
125.00031	1.3
127.04247	0.6
133.10133	1.1
135.11728	0.7
147.11668	0.9
184.07356	6.3
355.15268	0.8
413.33521	0.6
429.14871	0.7
495.41162	0.7
527.37555	1.2
535.36304	0.9
545.38568	1.0
707.37640	100.0
708.37604	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	707.3769
Annotation	Tetrastachynine
Peak:m/z	Relative Intensity
53.66698	0.7
55.05509	1.6
57.07068	0.9
60.08136	0.6
67.05501	4.5
69.03419	1.0
69.07069	2.0
70.48843	2.2
79.05499	3.4
81.03428	1.9
81.07069	3.7
83.08620	1.2
86.09680	1.4
87.04491	1.4
91.05483	2.1
93.07056	3.5
95.08607	1.8
97.02900	1.3
105.07029	1.1
107.08607	1.6
109.10154	1.8
117.07055	1.0
119.08581	1.0
121.10155	0.8
124.99979	1.0
130.47453	0.6
131.08559	1.5
133.10126	1.3
145.25926	0.6
149.13350	0.8
181.33167	0.6
184.07346	5.5
222.97144	0.6
535.27295	2.0
535.36023	0.9
545.37811	0.9
707.37677	100.0
708.38232	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	707.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.6
51.65268	1.5
53.03942	10.3
55.01869	7.0
55.05263	2.5
55.05513	33.2
57.03447	7.6
57.07068	1.8
59.04977	2.1
65.03943	5.5
67.05507	88.0
67.05871	4.3
69.03432	6.0
69.07077	19.5
71.04988	4.6
71.54568	1.6
71.55009	1.8
71.57443	1.6
77.03959	1.8
79.05492	80.0
81.03418	52.3
81.07057	75.6
83.04977	8.5
83.08625	17.0
85.02879	3.1
85.06550	3.4
89.03944	4.1
90.26105	1.6
91.05480	64.8
92.05786	1.6
93.07043	84.5
95.04964	20.7
95.08608	48.7
97.02913	3.5
97.06534	6.7
97.10169	8.4
103.05463	5.7
105.03333	1.8
105.04495	3.6
105.07034	47.1
107.04958	5.9
107.08598	40.9
107.09303	3.0
109.06535	5.3
109.10146	26.0
111.04435	1.7
111.08095	6.6
115.05478	4.6
115.65170	1.6
117.03407	2.5
117.07012	16.4
119.04941	1.9
119.08584	33.1
121.06532	4.8
121.10142	43.0
123.04450	9.3
123.08086	4.7
123.11700	8.3
125.09631	2.6
127.04037	1.5
128.06242	2.2
129.06995	15.7
131.04935	5.0
131.08556	26.7
131.09383	2.2
133.02859	1.9
133.06499	3.4
133.10123	22.8
133.65939	1.7
135.04416	6.6
135.08069	3.2
135.11694	17.0
137.09641	2.9
141.07014	4.1
142.07759	2.7
143.08588	5.9
145.02844	4.3
145.06523	8.0
145.10107	12.5
147.04422	7.2
147.08086	4.0
147.11685	23.2
149.05994	4.0
149.09613	14.0
149.13261	8.8
151.11194	3.7
153.06944	2.1
153.09157	1.7
153.12764	2.2
155.08571	4.0
157.06468	8.4
157.10130	10.2
159.04431	15.4
159.08110	3.1
159.11714	7.4
161.02361	11.7
161.05991	11.2
161.09575	2.2
161.13277	7.4
163.03908	40.6
163.11227	3.6
163.14827	4.4
165.05496	5.2
165.06995	3.8
165.12770	5.2
167.08644	2.4
169.06546	3.4
169.10135	1.6
171.04434	2.1
171.08005	3.4
171.11693	4.8
173.02353	23.3
173.05965	13.8
173.09628	2.6
173.13287	6.7
175.03951	7.4
175.07590	4.4
175.11250	5.4
177.05493	3.6
179.08507	3.5
181.06467	5.4
181.10167	2.3
183.08105	4.8
183.11679	2.9
185.05998	8.7
185.13284	2.0
187.03931	23.4
187.07562	6.4
187.14850	3.8
189.05499	6.9
193.06467	1.9
193.10301	2.4
193.12265	8.5
194.07356	1.9
195.08182	4.8
195.11603	1.7
195.13792	2.2
197.05949	5.4
197.09671	3.2
198.06769	2.1
199.03917	13.9
199.07607	7.2
199.11182	2.2
201.05478	11.2
201.09181	3.0
203.03391	2.8
203.07098	3.6
207.08127	1.8
207.11908	1.8
209.09651	4.0
211.07632	5.6
211.13240	9.9
213.05495	20.1
213.09145	3.9
215.07057	4.2
215.10747	2.0
217.04907	4.3
219.08151	2.7
221.09579	2.7
221.13264	1.8
223.07710	3.5
223.11192	3.5
225.05557	4.0
225.09154	4.1
227.07050	5.0
227.10709	2.8
235.11217	2.3
237.09132	2.8
237.12813	2.6
239.10632	2.4
239.14310	1.8
241.08693	2.2
241.12271	2.5
241.19518	2.8
243.21173	4.6
249.09192	2.8
251.10677	3.0
253.08609	2.0
259.20578	7.6
261.22134	9.9
265.12302	3.9
267.13715	28.5
277.21780	4.6
281.15207	1.9
283.13025	7.5
285.15015	3.4
293.11810	8.6
293.15100	3.1
297.14722	1.9
309.14777	3.5
311.12842	19.2
311.16476	9.1
313.14435	3.9
313.21890	1.7
317.24722	4.6
327.16013	6.8
329.13898	4.6
333.24380	4.0
335.25797	20.0
337.14368	11.4
353.13770	3.6
355.15378	45.5
357.16995	12.4
361.23596	3.5
373.16534	5.1
411.18060	3.5
423.25546	2.2
429.19098	47.2
431.20691	5.2
447.20233	3.2
482.76358	1.6
543.35608	2.8
545.38409	4.0
587.37976	2.8
597.35455	7.6
605.38336	4.5
615.36530	18.7
623.39355	4.2
633.37848	20.2
661.40717	2.8
671.39862	2.0
679.42133	28.7
689.40662	45.4
690.41144	2.3
707.41370	100.0
708.41400	3.9
729.87579	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.7
53.03951	11.9
55.01869	5.4
55.05517	31.9
57.03442	8.0
57.07081	2.8
65.03951	8.1
67.05509	95.0
69.03432	5.0
69.07074	20.5
69.43105	9.4
71.05002	4.9
73.02900	1.3
77.03929	2.7
79.05496	95.9
79.13103	1.4
81.03423	66.9
81.07061	84.1
83.04982	10.6
83.08617	13.9
85.02927	2.0
85.06565	4.0
89.03928	3.7
91.05484	79.7
93.07048	99.8
95.04972	22.9
95.08608	53.6
97.02920	4.3
97.06541	6.4
97.10165	11.1
99.04474	2.2
99.08103	2.0
103.05485	4.6
105.04519	3.1
105.07034	60.3
107.04951	8.8
107.07873	2.0
107.08604	41.7
107.09292	2.6
109.02905	2.2
109.06520	7.0
109.10159	26.3
111.04498	2.1
111.08086	4.8
115.05459	6.6
117.03435	2.7
117.07034	18.4
119.04964	1.9
119.08591	39.3
121.06527	4.7
121.10153	47.5
121.11030	2.8
123.04449	9.5
123.08120	5.5
123.11749	6.1
125.09679	2.2
128.06244	2.6
129.07002	14.0
131.04932	6.7
131.08568	27.7
132.09358	1.5
133.02866	3.4
133.06471	3.2
133.10136	28.8
135.04422	6.4
135.08096	2.7
135.11708	18.4
137.06068	1.8
137.09647	2.7
137.13272	1.9
138.17194	1.3
139.99335	1.5
141.07033	2.4
142.07829	3.3
143.04927	3.9
143.08569	3.9
145.02872	4.2
145.06491	6.5
145.10135	10.5
147.04433	8.3
147.08101	3.8
147.11699	25.6
149.06001	8.4
149.09627	14.0
149.13298	7.5
151.11211	4.6
153.07036	2.2
153.12854	1.6
155.08565	1.7
157.06503	10.7
157.10159	9.5
159.04411	16.5
159.08090	2.7
159.11688	7.8
161.02367	9.4
161.06001	6.0
161.09653	2.6
161.13255	6.9
163.03912	66.8
163.07576	3.7
163.11212	4.0
163.14841	2.6
165.05534	7.3
165.06955	2.9
165.11581	1.4
165.12704	8.1
167.08601	1.5
169.06538	3.2
171.04416	4.0
171.08121	4.2
173.02365	28.4
173.05980	15.2
173.09544	2.5
173.13257	7.1
175.03955	5.2
175.07568	4.4
175.11218	7.4
175.14961	3.3
177.05568	3.4
177.12790	1.8
179.08612	2.1
181.06528	6.3
181.10234	2.9
183.04541	1.3
183.08121	4.4
184.07405	3.8
185.02457	1.5
185.04359	1.5
185.05984	8.1
185.07588	1.4
185.09595	1.4
185.13295	2.6
187.03908	32.6
187.05513	2.6
187.07558	5.0
187.14879	3.9
189.05559	8.0
189.09111	2.1
189.12691	2.1
191.03419	1.9
191.08775	2.1
193.12280	10.5
195.08054	4.5
197.06056	5.1
197.09669	2.5
199.03922	15.1
199.07614	5.7
201.05450	10.4
201.16440	1.6
203.03482	3.0
203.07097	2.2
205.05058	1.8
207.08064	3.8
209.09766	3.5
211.07561	7.3
211.11554	1.6
211.13356	6.5
213.05478	26.9
213.09097	3.1
215.07069	6.2
217.05092	2.2
221.09669	4.5
223.07693	2.0
223.11194	3.4
225.05531	2.0
225.09163	4.5
225.12692	2.3
227.07100	4.6
229.05130	2.6
231.21103	2.1
233.09760	1.9
235.11218	2.0
237.09196	1.9
237.12875	2.8
237.16310	1.5
238.09814	1.7
239.10803	2.3
239.14291	3.2
241.08635	2.7
241.12334	2.1
243.21098	4.0
247.11192	2.3
249.12872	3.9
253.12413	1.8
259.20520	8.3
261.22156	11.7
265.12280	4.6
267.10892	3.1
267.13803	54.3
277.21677	4.6
283.13239	7.6
285.14996	6.7
289.39682	1.6
293.11768	6.7
293.15079	1.8
309.14813	3.7
311.12857	27.2
311.16525	12.5
313.14603	2.8
315.23520	2.0
317.24875	4.1
327.15970	8.0
329.13849	1.9
333.17020	3.0
333.24271	2.8
335.25809	25.8
337.14420	7.8
355.15408	100.0
356.15469	1.4
357.17062	11.6
361.23907	2.0
373.16489	2.4
395.25916	2.1
411.18222	3.1
423.25388	2.0
429.13278	2.5
429.19110	52.6
429.24609	3.2
430.19202	1.7
431.20654	6.7
447.19962	7.6
508.73227	1.5
527.37274	2.6
545.38177	4.0
571.35004	1.7
579.34515	1.8
587.37250	4.8
597.35760	4.9
615.36609	12.3
621.85089	1.5
623.39490	1.8
624.73499	1.4
633.37946	14.8
642.06738	1.5
651.38354	3.5
661.40289	2.9
662.15302	1.4
671.40497	3.2
679.42139	19.5
689.40521	39.5
707.41565	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03949	12.8
55.01880	9.0
55.05267	2.2
55.05518	35.1
57.03426	7.3
57.07070	4.3
58.32135	1.4
65.03954	7.6
67.05510	94.4
69.03435	6.2
69.07074	20.4
71.04990	3.8
74.72941	1.5
77.03929	2.7
79.05502	100.0
81.03431	64.5
81.07065	92.4
83.04998	12.9
83.08627	20.1
85.06553	2.8
89.03942	3.8
91.05491	81.7
92.84585	1.6
93.07053	94.5
95.04984	20.6
95.08611	55.0
97.02893	3.0
97.06533	6.7
97.10175	10.9
98.21542	2.7
99.08114	1.4
103.05479	8.0
105.04515	4.6
105.07040	58.9
107.04980	9.2
107.08606	44.5
107.09162	1.2
109.06502	7.7
109.10165	26.4
111.04465	1.4
111.08092	4.8
115.05450	8.4
116.06229	1.6
117.03426	3.9
117.07017	15.6
119.04961	2.0
119.08589	40.5
121.06530	5.3
121.10154	49.9
123.04423	8.1
123.08099	5.1
123.11747	8.4
125.09629	1.8
128.06247	2.7
129.07008	14.4
131.04961	5.9
131.08582	35.3
132.09349	1.6
133.02867	5.5
133.06544	4.4
133.10149	28.4
135.04443	5.8
135.08093	2.2
135.11708	14.7
137.06024	1.9
137.09637	4.1
137.13319	1.8
141.07037	3.5
142.07764	1.8
143.04921	3.2
143.08575	6.3
145.02870	4.5
145.06554	7.9
145.10120	13.1
147.04419	11.0
147.08092	5.3
147.11690	25.1
149.05995	8.6
149.09634	17.2
149.13246	10.3
151.11217	3.5
153.07098	3.1
155.08575	1.8
157.06464	8.7
157.10150	11.5
159.04431	14.8
159.08180	2.1
159.11755	11.0
161.02353	10.9
161.06021	9.9
161.09653	3.8
161.13264	8.1
163.03922	53.3
163.07607	3.1
163.11221	3.0
165.05507	7.0
165.06981	2.9
165.12817	6.8
167.08513	2.2
169.06511	3.7
169.10179	2.1
171.04443	5.9
171.08128	5.3
171.11743	3.3
173.02362	24.8
173.05980	20.1
173.09702	1.5
173.13321	6.1
175.03966	6.0
175.07594	3.1
175.11240	5.2
175.14865	1.9
177.05560	2.6
179.08623	3.5
181.06488	7.3
183.04410	1.8
183.08105	6.8
185.06015	9.2
185.09656	1.8
185.13239	2.0
187.03949	28.7
187.07576	6.0
187.14870	3.3
189.05417	7.6
189.09215	2.7
193.06578	1.8
193.10474	2.7
193.12315	11.0
195.08090	3.8
195.11836	1.8
195.13751	2.0
197.06044	5.9
197.09702	2.9
199.03935	17.4
199.07574	8.2
199.14891	2.1
201.05467	17.3
201.06883	1.7
201.09068	2.6
201.16432	1.7
203.03404	2.8
203.07153	2.3
205.35164	1.7
207.08170	2.3
209.09654	3.6
211.07628	7.0
211.11415	3.0
211.13348	9.5
213.05495	29.7
213.09120	4.6
215.07109	4.3
217.05077	8.6
219.08171	2.1
221.09683	4.3
223.07623	3.2
223.11223	4.3
225.05595	2.9
225.09119	5.9
225.16331	1.5
227.07065	6.3
229.05019	2.8
229.25191	1.6
237.09106	2.5
237.12744	3.2
239.07063	4.6
239.14357	2.4
241.12285	3.6
241.19531	3.6
249.12978	3.4
251.10764	2.4
259.20499	7.7
261.22192	16.6
265.12317	5.3
267.13797	40.0
277.21716	6.1
281.15482	1.9
283.13260	9.9
285.14957	4.7
285.22232	2.2
293.11853	9.2
293.15097	3.0
305.21149	2.0
309.14957	4.6
311.12878	27.1
311.16541	11.7
313.14368	4.1
315.23209	2.0
317.24878	4.0
319.13171	2.0
327.12711	1.6
327.15906	9.1
329.13882	6.1
333.24133	2.6
335.25858	22.4
337.14374	12.9
355.15427	75.0
357.17068	10.4
361.23770	2.2
373.16672	5.8
411.18280	5.3
413.20038	1.6
423.25671	1.7
429.19153	48.2
430.19040	2.2
431.20660	7.4
447.20480	3.1
456.24069	1.9
532.16638	1.6
569.36304	1.8
576.76190	1.8
579.35956	1.7
587.36963	2.4
597.36224	5.5
605.38782	3.3
615.36810	17.5
623.39429	3.5
633.38013	15.6
651.39178	2.9
661.41248	4.3
671.39606	2.8
679.42108	20.8
689.40607	39.6
707.41547	97.8
708.41742	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	707.418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.0
53.03958	4.3
55.01872	3.7
55.05262	1.0
55.05516	16.1
57.03439	4.0
57.07078	1.9
59.38168	0.6
61.02932	4.0
65.03947	2.4
67.05510	39.9
69.03438	5.2
69.07074	11.7
70.02111	2.9
71.05000	2.1
73.02921	3.3
77.03934	0.9
79.05501	37.3
81.03426	27.2
81.07065	35.3
83.04988	4.3
83.08620	6.9
85.02900	3.8
85.06544	1.6
89.03924	1.8
91.03959	2.4
91.05485	31.8
92.17860	0.7
93.07052	42.2
95.04974	10.1
95.08614	22.0
96.62341	0.6
97.02901	4.5
97.06533	4.0
97.10201	4.2
99.08147	0.9
101.02430	0.7
103.05476	3.2
105.04510	1.3
105.07040	24.3
107.04958	3.6
107.07876	1.0
107.08598	17.5
109.06554	2.9
109.10164	11.0
111.04486	1.0
111.08096	2.5
113.79606	0.7
115.05474	2.5
117.03406	1.6
117.07029	7.1
119.08583	16.2
121.06505	2.3
121.10152	20.9
123.04491	3.5
123.08081	2.4
123.11690	3.7
125.09656	2.0
127.03944	0.8
128.06245	1.6
129.07045	5.6
131.04955	2.0
131.08571	12.7
133.02861	1.3
133.06508	1.8
133.10144	12.4
135.04459	3.2
135.08096	1.0
135.11705	7.2
137.09659	1.1
137.13266	0.9
141.07059	0.8
142.07864	1.3
143.04915	0.9
143.08594	1.9
145.02866	1.5
145.06538	1.9
145.10149	5.1
147.04436	4.1
147.08087	2.1
147.11688	9.3
149.06039	3.0
149.09628	5.7
149.13255	4.0
151.11206	1.4
153.07057	1.4
155.04941	0.9
155.08591	1.5
157.06465	3.5
157.10112	3.1
159.04427	8.8
159.11685	3.3
161.02350	4.9
161.06015	3.2
161.13251	3.6
163.03918	22.6
163.05222	1.4
163.11197	1.2
163.14818	1.4
165.05544	2.9
165.06960	1.2
165.12817	1.8
165.70480	0.7
167.08717	1.2
169.06517	1.2
171.04442	2.1
171.08110	1.9
171.11729	1.8
173.02365	11.0
173.05978	4.8
173.13298	2.4
175.03951	2.9
175.07564	1.2
175.11237	2.8
175.14888	1.4
177.05530	1.3
179.08586	1.7
181.06543	2.3
181.09976	0.9
183.08078	1.8
183.11729	0.8
184.07436	2.2
185.05968	4.5
185.09659	0.9
185.13258	1.4
187.03925	13.7
187.07611	2.7
187.14839	1.2
189.05507	3.2
189.11162	1.2
193.10510	1.1
193.12312	5.6
195.08144	2.3
195.13876	1.2
197.06050	2.1
197.09628	1.5
199.03911	6.6
199.07596	3.3
201.05482	4.9
201.09155	1.5
203.03445	1.7
203.05336	1.1
203.07188	0.7
207.08098	1.7
209.09697	1.8
209.11639	0.7
211.07628	2.8
211.09421	1.0
211.11404	1.2
211.13126	3.4
213.05504	11.4
213.09183	2.9
215.07161	2.2
221.09753	1.4
221.13248	0.8
223.07695	1.8
223.11153	0.8
225.05554	1.5
225.09204	1.6
227.07089	2.1
229.04958	1.2
229.08917	0.8
231.06731	0.8
235.07684	0.8
236.08348	0.8
237.12810	0.7
239.07057	1.1
239.10725	1.4
239.27647	0.8
241.08641	1.2
241.12334	1.1
241.19603	2.0
243.21291	1.4
247.11215	0.9
249.09428	0.8
249.12772	1.4
251.10710	1.8
253.12167	0.8
259.20590	3.8
261.22186	5.6
265.12262	1.2
267.13788	11.8
277.21698	2.8
281.12070	0.9
283.13324	3.8
285.15027	2.7
285.22208	0.7
287.19858	0.9
293.11798	4.1
293.15015	1.0
297.14975	0.8
309.14966	1.7
311.12875	9.4
311.16476	3.7
313.14307	0.8
313.21738	1.0
315.23264	1.2
317.24854	1.9
327.16006	2.2
329.13779	1.3
333.17166	1.1
333.24292	1.0
335.25790	8.8
337.14368	6.8
337.72308	0.8
355.15396	25.2
357.16989	6.6
373.16446	1.4
395.25470	0.9
429.19156	20.7
431.20758	1.8
519.29218	4.6
543.34784	0.9
587.37555	2.0
597.35626	2.8
605.38409	1.0
615.37018	7.5
623.39862	1.2
633.37885	8.4
661.40900	1.7
671.39801	1.2
679.41968	11.5
689.40582	21.0
690.40759	1.0
707.40503	100.0
708.40765	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	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.6
51.85067	2.5
51.91913	2.5
53.03949	10.3
55.01871	10.9
55.05511	33.4
56.51379	2.5
57.03436	13.3
57.07073	5.8
60.08155	3.8
61.02948	2.5
65.03948	6.2
65.98266	2.6
67.05171	5.2
67.05509	69.2
67.86271	2.7
69.03424	21.6
69.07079	26.1
71.05011	7.2
79.05498	43.8
81.03423	100.0
81.07060	75.8
83.04985	35.0
83.08623	26.8
85.02898	16.6
85.06536	5.4
86.09724	18.7
87.04479	8.7
87.10043	4.6
91.05485	40.4
93.07049	49.7
95.04972	28.0
95.08617	47.7
97.02900	20.4
97.06537	8.7
97.10168	11.1
98.98486	3.7
99.04486	5.9
99.08092	4.1
105.07038	37.4
107.04947	9.0
107.08581	31.5
109.02905	12.7
109.06546	8.7
109.10149	24.9
111.04431	15.6
111.08108	9.8
112.32729	2.9
115.05488	4.3
117.07028	12.2
119.08589	32.8
121.06520	6.6
121.10152	26.8
123.04423	4.9
123.08081	4.1
123.11735	8.4
123.92724	3.0
125.00019	15.9
125.09628	6.2
127.03940	11.2
128.06299	3.1
129.05455	4.9
129.07027	17.1
131.08585	21.8
133.10135	20.8
135.08090	5.8
135.11705	15.5
137.09671	4.0
137.13322	3.2
143.08601	6.9
145.10123	15.3
147.08037	5.2
147.11714	25.0
149.09604	7.5
149.13293	8.6
151.11212	3.8
153.12746	6.6
155.08528	3.0
157.10103	13.7
159.11711	11.2
161.13274	4.6
163.11214	12.1
169.10161	4.1
171.11728	5.1
173.13237	9.0
175.09872	2.9
175.11148	12.9
175.14729	2.8
181.10036	2.5
181.12245	4.8
183.11693	3.3
184.07344	69.7
185.07703	11.9
185.09468	3.6
191.10658	8.6
193.12285	27.2
199.14888	5.4
209.11623	5.2
211.13281	53.6
227.12750	20.9
229.10255	3.5
229.14368	5.7
261.22031	13.4
267.15839	14.3
283.15427	11.9
285.16904	18.2
301.21707	2.7
307.15747	2.9
317.24811	3.2
319.22708	3.9
335.25800	20.7
337.27393	9.8
369.24356	7.7
387.25406	4.7
427.19766	5.9
429.21164	5.0
439.27051	3.0
443.27899	4.7
461.28809	3.1
527.37201	11.8
535.36212	4.6
537.77185	3.0
543.36218	3.7
545.38409	43.4
609.44061	3.1
653.39832	4.6
671.41473	7.3
689.42383	16.9
707.37823	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01880	2.7
55.05522	12.6
57.03440	6.8
57.07077	2.1
60.08172	7.5
61.08509	1.1
61.65822	0.9
65.03955	2.1
67.05169	1.5
67.05515	24.1
69.03441	6.9
69.07072	5.3
71.04987	2.8
71.07365	4.4
73.02947	1.3
79.05499	15.6
81.03428	32.2
81.07066	24.1
83.04986	12.6
83.08633	8.4
85.02914	6.2
85.06549	1.4
86.09718	29.9
86.10241	1.5
87.04471	3.2
87.10029	4.6
91.05489	19.1
93.07056	19.3
95.04980	9.0
95.08618	16.6
97.02887	8.1
97.06542	2.7
97.10162	3.3
98.20683	1.2
98.98457	5.0
99.04472	1.8
99.08124	1.3
104.10751	2.2
105.04558	1.0
105.07039	11.5
105.11063	0.9
107.04974	2.9
107.08599	10.9
109.02899	2.9
109.06530	2.9
109.10159	7.4
111.04448	7.5
111.08087	4.3
117.07050	3.5
119.08601	9.6
121.06557	1.2
121.10162	8.8
123.08096	1.4
123.11707	4.4
125.00017	20.8
125.09634	1.1
126.00366	1.1
127.03920	3.6
129.05479	2.9
129.07031	4.2
131.08592	7.0
133.10159	6.3
134.51471	0.9
135.11731	5.7
137.09596	1.7
143.08607	2.0
145.10144	4.2
147.08034	1.8
147.11731	5.7
149.09659	1.9
149.13289	2.6
149.33627	0.8
151.11226	1.0
153.12782	1.5
157.10141	5.7
159.11719	3.6
161.13300	1.5
163.04005	1.2
163.11215	4.2
165.12788	1.0
169.10190	0.9
171.11765	1.6
173.09549	1.0
173.13264	2.0
175.11223	3.4
181.12225	3.7
184.07359	100.0
185.07726	13.7
187.14853	1.2
191.10698	2.8
193.12273	12.4
209.11758	1.9
211.13321	21.2
221.44812	0.8
227.12819	6.2
229.49641	1.1
261.22205	3.9
263.23718	0.9
267.15948	3.9
283.15445	1.8
285.17010	5.9
285.22168	1.1
313.92816	0.8
317.24969	1.3
319.22949	1.1
335.25864	14.3
337.27487	3.0
355.17670	1.2
369.24219	2.1
387.25391	1.6
427.19498	1.1
429.21048	3.0
443.27914	1.3
481.27518	1.2
527.36865	1.9
535.36780	1.0
536.96252	1.0
545.18060	0.9
545.38422	13.2
653.41492	1.2
671.40735	1.3
689.42212	8.2
707.37817	18.0
707.49109	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	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	19.6
55.01868	10.8
55.05517	40.6
57.03442	14.8
57.07068	6.9
57.67461	2.8
58.76393	2.5
65.03951	6.8
67.05173	6.2
67.05508	90.1
68.32841	2.8
69.03432	27.8
69.07075	21.1
70.72162	6.7
71.05000	10.3
79.05499	66.4
81.03424	100.0
81.07060	87.0
82.03752	3.5
83.04984	45.6
83.08634	29.7
85.02917	17.0
85.06545	5.9
87.85448	2.8
91.05486	66.3
93.07046	74.8
93.07623	4.7
95.04970	30.9
95.08610	59.8
95.09167	5.3
97.02906	20.6
97.06536	10.5
97.10180	8.3
99.04479	9.4
105.07041	44.2
107.04964	10.8
107.08604	34.9
109.02883	14.3
109.06552	8.3
109.10162	29.1
111.04446	20.6
111.08065	16.5
113.06053	3.7
117.07037	13.7
119.08591	34.2
121.06501	5.4
121.10165	32.6
122.10411	3.7
123.08059	4.2
123.11726	8.3
125.00044	3.6
125.05968	3.4
125.09645	3.5
127.03958	13.4
128.06229	3.2
128.35706	2.8
129.05507	13.9
129.06993	17.2
131.08571	28.2
133.06528	3.9
133.10147	28.3
135.08119	2.9
135.11690	17.8
137.09616	3.6
142.07777	3.6
143.08591	8.0
145.10118	17.1
147.08098	5.3
147.11710	24.7
149.09692	9.9
149.13286	11.4
153.12813	6.2
155.08508	5.1
157.06548	5.2
157.10109	17.5
159.11708	14.9
161.02298	3.2
161.09674	3.2
161.13278	11.2
163.03912	11.8
163.11195	11.5
165.12784	4.3
169.10204	5.3
171.11627	3.5
173.09665	5.3
173.13336	8.1
175.11240	11.9
177.12735	2.8
181.12256	9.2
184.07399	7.2
185.13322	6.0
187.03918	7.3
187.14909	3.7
191.10706	12.8
191.93521	3.0
193.10568	5.3
193.12248	40.6
197.13258	2.7
199.03955	3.9
209.11711	5.1
211.13301	62.9
213.05382	2.8
213.86046	3.4
215.07191	3.1
227.12752	14.9
229.14284	5.3
243.21149	3.2
261.22177	12.5
263.23807	3.0
267.15967	11.4
283.15512	8.6
285.17023	14.3
311.13055	4.4
317.24835	3.9
335.25821	42.6
337.27301	11.6
355.15189	5.3
369.24234	6.4
387.25320	5.2
400.28568	3.5
429.20377	11.2
435.32782	3.7
461.28943	3.7
527.37231	10.9
538.95874	3.0
545.38269	47.1
563.39221	3.6
569.15936	3.5
615.36816	4.5
633.38489	4.4
671.41156	5.0
679.42047	5.3
689.41913	21.6
707.41687	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	707.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19344	1.8
53.03941	7.0
55.01869	7.1
55.05523	27.6
56.96964	1.8
57.03445	10.0
57.07077	2.7
61.02921	3.9
65.03941	5.6
67.05513	75.5
69.03442	13.5
69.07069	17.1
71.04985	7.0
71.55199	1.8
73.02904	2.8
79.05504	59.1
81.03428	59.0
81.03766	1.0
81.03915	1.9
81.06579	2.9
81.07066	60.6
83.04982	18.6
83.08638	16.1
84.08917	1.5
84.22253	1.5
85.02917	8.6
85.06544	3.8
91.03909	2.0
91.05493	44.5
93.07059	57.8
94.07396	1.6
95.04983	22.6
95.08622	38.0
97.02915	10.9
97.06535	7.3
97.10176	8.4
99.04462	2.4
99.08132	2.2
103.05498	2.1
105.04525	2.0
105.07044	38.2
107.04977	8.7
107.08608	24.6
109.02895	6.1
109.06535	6.3
109.10182	25.7
111.04462	10.1
111.08081	6.9
115.05513	2.6
117.03419	1.8
117.07026	15.2
119.08597	30.4
121.06516	4.6
121.10159	27.2
123.04435	5.6
123.08073	4.1
123.11718	6.0
125.06018	1.9
125.09683	3.7
127.03915	6.2
128.06184	1.6
129.05524	4.1
129.06985	11.0
131.08595	23.9
133.06535	4.9
133.10141	19.2
135.04427	3.9
135.08061	4.8
135.11694	14.3
137.06033	1.9
137.09608	4.3
139.11241	1.8
141.07060	3.5
142.07809	2.4
143.08548	5.5
145.06499	2.4
145.10146	11.7
147.04459	3.2
147.08058	4.1
147.11711	20.6
149.05989	2.7
149.09593	8.3
149.13271	6.9
151.11197	1.9
153.12791	3.5
155.08580	4.2
157.06487	1.9
157.10138	11.6
159.04433	4.4
159.11684	8.3
161.02380	3.6
161.05983	3.5
161.13280	6.4
163.03922	19.7
163.11229	5.9
163.14804	2.0
165.05467	1.7
165.12836	4.4
169.10194	2.0
171.11734	3.1
173.02367	6.2
173.05978	4.7
173.09729	2.5
173.11781	2.7
173.13300	4.1
175.04021	2.0
175.07555	3.1
175.11224	6.6
177.12804	2.3
180.71550	1.7
181.12286	4.0
183.08089	3.6
183.11694	1.9
185.06041	1.9
185.13272	3.5
187.03973	7.6
187.14848	2.8
189.05463	3.3
189.11319	1.8
191.10689	3.8
193.12236	14.6
199.03917	9.8
199.07303	1.7
199.14911	2.4
201.05511	5.5
211.07703	2.5
211.11562	2.1
211.13329	15.4
213.05438	10.1
215.03534	1.8
217.05077	3.3
223.11412	1.6
225.05374	1.7
226.06284	1.7
227.07130	2.4
227.12827	6.6
229.14394	2.7
239.07066	2.0
243.21048	2.6
249.14868	2.4
259.20624	4.0
261.22220	10.7
267.13791	5.3
267.16241	10.3
276.11926	1.8
277.21722	2.9
285.17105	3.8
293.11835	2.2
303.23511	2.0
311.12851	6.6
311.16629	4.4
317.20947	3.9
317.24518	2.0
335.25818	25.8
337.14499	7.0
337.27496	4.8
351.23102	2.1
355.15311	15.2
357.16946	4.5
369.20023	2.0
369.24359	4.2
387.25369	3.6
413.17877	6.9
429.19040	16.2
443.28833	2.2
527.37476	5.8
535.28363	2.3
545.38428	10.7
545.45642	2.1
569.38184	3.2
597.35858	2.2
615.36963	4.9
633.37903	5.8
653.40479	3.0
661.41333	2.3
671.40588	5.0
679.42572	8.5
689.40680	18.8
690.42645	2.4
707.40314	100.0
708.40723	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	707.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.2
51.68747	2.7
53.03940	10.5
55.01861	9.6
55.05516	41.8
55.63858	2.0
57.03447	16.2
58.52282	2.4
58.77407	2.2
60.23254	2.2
61.02909	2.6
65.03931	4.5
67.05510	100.0
69.03436	13.6
69.07076	21.6
69.30495	19.8
71.04988	7.1
79.05074	4.5
79.05499	69.0
81.03426	86.6
81.07060	81.2
83.04993	26.4
83.08627	27.8
85.02910	14.4
85.06534	6.7
91.05491	61.2
93.07053	72.5
95.04976	34.5
95.08613	63.0
97.02910	18.1
97.06522	8.7
97.10154	9.0
97.35520	2.1
99.04447	3.0
103.05492	2.6
105.04482	2.8
105.07035	44.9
107.04959	11.9
107.08609	38.4
109.02878	6.4
109.06525	8.8
109.10168	29.7
111.04450	11.1
111.08054	9.6
115.05439	8.0
117.07043	14.4
119.08588	33.0
121.06488	7.5
121.10164	38.1
123.04417	6.4
123.08038	4.1
123.11698	7.8
125.09612	5.7
127.03919	5.5
128.06177	4.1
129.05476	6.0
129.06995	12.8
131.04944	3.6
131.08563	29.9
133.06482	4.7
133.10138	23.8
135.04408	2.3
135.08061	4.4
135.11681	20.1
137.05905	2.2
141.07008	2.5
142.07759	3.1
143.08556	7.0
145.06488	4.8
145.10124	21.3
147.04393	4.7
147.08058	4.1
147.11691	23.9
149.05972	3.5
149.09637	11.1
149.13269	8.3
153.12784	3.3
155.08524	4.2
157.06499	3.2
157.10162	14.0
157.93436	2.5
159.04440	4.4
159.07999	2.9
159.11713	9.0
161.02351	5.4
161.13266	7.4
163.03917	20.8
163.11131	8.9
163.14799	3.4
165.05402	2.9
165.12743	6.7
171.08023	2.9
173.02336	11.3
173.06001	6.0
173.09624	3.8
173.13295	5.3
175.07542	2.7
175.11194	12.5
181.12227	5.7
183.08125	3.0
185.05986	3.3
185.09546	2.9
185.13251	6.6
187.03955	11.8
187.07527	2.7
187.14760	3.0
189.05487	3.8
189.11223	2.6
191.10709	5.2
193.10532	4.3
193.12236	28.9
194.68896	2.5
199.03946	5.7
201.05423	2.8
207.08112	3.5
209.11702	2.9
211.11272	4.2
211.13271	34.9
213.05467	10.6
215.07024	2.9
225.09222	3.4
225.12703	3.3
227.12756	11.6
229.14323	3.7
241.12247	3.2
242.24158	2.6
259.20496	4.6
261.22137	14.4
265.12308	2.9
267.13614	10.7
267.16025	10.1
273.14746	3.7
283.15552	5.9
285.17062	5.3
293.11642	4.3
311.12671	8.1
311.16174	3.6
327.16064	4.2
335.25824	38.0
337.27390	7.5
355.15210	19.9
357.16852	6.1
369.24136	3.9
387.25336	3.9
395.05542	2.3
429.19202	15.8
461.28906	3.2
506.36530	2.5
527.37048	6.9
545.38416	23.5
615.37256	6.5
623.39288	3.4
633.37921	7.3
653.40759	3.9
661.40686	3.5
671.40314	3.5
679.41632	10.3
689.41193	27.4
707.41620	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93898	1.9
53.03954	13.1
54.98668	1.9
55.01884	9.7
55.05518	42.1
56.38488	2.1
57.03436	17.6
57.07079	2.1
61.02929	3.0
65.03948	4.2
67.05510	96.1
69.03446	17.8
69.06767	2.4
69.07075	23.6
71.04992	8.4
71.08633	2.4
77.03909	4.5
78.14000	2.2
79.05499	82.6
80.73567	2.4
81.03427	100.0
81.07064	96.2
83.04985	34.8
83.08628	21.8
85.02917	14.8
85.06551	4.6
91.05486	71.0
93.07056	83.0
94.07375	2.2
95.04985	29.9
95.08616	54.5
97.02897	18.5
97.06540	9.5
97.10175	8.6
99.04449	3.9
103.05506	5.2
105.04556	2.2
105.07040	60.2
107.04943	10.1
107.08601	40.7
109.02894	8.3
109.06531	8.8
109.10152	26.6
111.04451	11.4
111.08076	11.3
113.06046	2.5
115.05462	6.0
117.07046	13.1
119.08591	43.8
121.06530	6.0
121.10150	43.6
123.04451	6.8
123.08096	6.3
123.11745	6.5
125.09702	3.2
127.03947	8.4
128.06194	3.6
129.05507	9.3
129.07011	11.4
131.08578	27.9
132.08876	2.3
133.02798	2.3
133.06540	4.0
133.10152	27.2
135.04416	4.6
135.11720	23.8
137.09668	3.7
137.13280	2.5
141.07053	4.1
142.07843	2.6
143.04846	2.0
143.08612	7.4
145.02885	2.7
145.06494	5.9
145.10138	18.3
147.04382	4.4
147.08118	6.0
147.11688	26.1
149.06036	3.1
149.09648	12.7
149.13297	8.7
151.11169	2.6
153.07022	2.7
153.12784	5.8
155.08617	3.8
157.06567	6.3
157.10144	14.1
159.04424	11.1
159.08081	4.5
159.11687	11.1
161.02390	5.2
161.06010	5.5
161.09637	3.9
161.13268	6.3
163.03928	26.4
163.11249	9.6
163.14902	4.8
165.05556	3.6
165.12772	4.5
169.06593	2.1
169.10243	3.3
171.08055	3.8
171.11673	4.3
173.02336	14.6
173.05966	9.8
173.09683	3.8
173.13289	7.1
175.03946	3.1
175.11198	12.9
175.14888	2.5
177.05597	2.6
181.06480	3.0
181.12273	6.5
183.08009	4.1
183.11769	2.4
185.06035	5.8
185.13275	2.5
187.03938	15.5
187.07587	4.8
187.14894	4.1
189.05499	4.9
191.10672	7.6
193.10555	2.4
193.12254	36.7
195.08145	2.9
197.06039	2.5
198.14207	2.3
199.03915	10.9
199.07610	3.7
201.05522	8.0
209.09854	2.7
209.11600	4.9
211.07635	3.8
211.11295	4.2
211.13286	39.5
213.05447	13.9
213.09210	4.6
215.07185	2.7
221.09673	2.7
223.07661	3.1
225.09152	2.5
227.07138	3.3
227.12854	9.0
229.14316	5.0
241.08676	2.5
241.19585	2.6
243.21062	2.6
259.20691	5.0
261.22159	14.4
265.12201	3.4
267.13528	12.5
267.16104	6.9
277.21835	2.9
283.13135	3.0
285.17081	7.6
292.69226	2.1
293.11868	3.8
311.12820	13.3
311.16360	4.6
317.24911	4.1
327.16272	2.8
333.24213	2.6
335.25778	41.0
337.14310	2.9
337.27466	8.5
351.22961	2.2
355.15405	32.8
357.17151	7.3
373.16528	2.4
389.26749	2.0
413.17474	2.5
429.18945	24.5
479.30157	2.3
527.37152	7.7
543.35529	2.8
545.38330	24.0
587.37225	2.5
597.36499	3.8
605.38800	2.7
615.37189	9.1
633.37836	12.8
653.40540	2.6
661.40802	2.3
671.40314	4.3
679.42047	16.9
689.41125	38.3
707.41241	77.4
708.41449	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	708.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01871	4.7
55.05525	12.9
57.03446	10.1
57.07094	2.0
65.56393	1.8
67.05173	3.1
67.05509	42.7
69.03429	2.7
69.07065	14.8
70.25611	7.5
71.04988	3.6
73.02931	2.1
79.05499	33.0
81.03426	53.7
81.07063	47.8
83.04987	8.0
83.08617	18.7
83.20911	1.9
85.02909	4.7
85.06548	3.6
91.05483	23.5
93.07059	31.8
95.04975	21.2
95.08622	13.9
97.02872	3.9
97.06532	8.5
99.08117	2.8
105.07030	14.8
107.04968	5.6
107.08599	16.2
109.06538	2.7
109.10122	5.8
111.04452	3.4
111.08095	7.0
112.45270	1.7
117.07001	3.3
119.08581	10.5
121.06532	2.3
121.10164	12.3
125.09634	2.7
129.07002	5.5
131.08574	10.0
133.06413	1.9
133.10153	8.7
135.11717	4.1
137.09596	2.9
145.02849	1.8
145.10130	3.3
147.04399	5.1
147.08064	2.6
147.11674	5.7
149.09634	2.7
149.13274	17.6
157.10109	10.8
159.11679	5.7
163.03873	2.2
163.11205	2.8
175.11163	6.0
177.12804	2.3
193.12274	13.4
195.13838	3.3
211.13342	2.7
222.03397	1.9
229.14403	4.3
230.87308	1.7
242.03828	2.0
259.09601	2.3
267.15958	51.5
269.17474	59.3
270.17862	2.2
283.15381	2.8
435.27472	3.4
453.27792	2.0
461.29016	100.0
462.29224	4.6
479.29993	2.4
493.27380	2.3
503.30124	2.6
708.31903	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	709.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
53.90438	0.4
55.01873	0.9
55.05514	3.2
56.05038	1.5
57.03441	2.5
58.64318	0.4
61.02931	1.2
65.03950	0.6
66.08013	0.5
66.62255	0.4
67.05500	4.8
68.05013	0.5
69.03435	1.7
69.04542	0.4
69.07061	1.0
70.06596	58.6
71.04987	2.6
71.06905	0.6
71.54847	0.5
72.08157	5.1
73.02920	0.7
74.32925	0.4
77.03052	0.4
79.05492	4.3
80.05027	0.8
81.03421	40.2
81.07065	3.3
83.04974	2.4
83.08619	9.4
84.04507	31.4
85.02905	2.7
86.09663	0.4
86.23145	0.4
86.58307	0.4
91.03988	0.5
91.05482	5.9
93.07048	3.2
94.06568	0.5
95.04976	11.8
95.05562	0.9
95.08633	1.4
96.04486	2.8
97.02888	2.1
97.06542	0.7
97.10188	0.9
98.06026	1.6
98.97601	0.9
99.04455	2.7
102.05521	0.9
105.07037	4.3
107.04951	2.6
107.08609	1.6
108.08067	0.4
109.02906	0.7
109.06509	1.0
111.04448	1.0
111.08094	4.5
112.07629	0.5
115.05462	0.5
116.07095	55.9
117.07033	0.5
119.08578	4.3
121.06502	0.6
121.10186	2.3
123.04420	1.0
123.08093	0.8
123.24831	0.5
124.03965	0.7
127.03907	0.5
129.07016	3.8
130.05002	10.3
131.08582	3.2
133.06483	0.9
133.10117	2.0
136.07561	1.9
138.09151	1.1
142.04958	0.4
142.07788	0.6
145.10110	0.6
147.04378	0.7
147.08080	1.1
147.11668	2.9
149.09628	4.3
151.03934	0.4
152.07106	0.6
154.08618	1.7
157.10121	5.5
161.05876	0.4
163.03873	1.7
163.11215	0.8
164.07050	0.6
165.12691	0.6
167.10634	0.5
175.11176	5.8
182.08134	14.8
184.03957	0.5
184.09668	3.1
193.12247	27.9
194.15463	1.0
199.10767	0.7
201.12405	0.5
204.13852	1.1
211.13271	2.4
222.14879	1.3
228.08681	10.5
232.13312	0.7
235.13313	1.0
245.11336	100.0
246.11664	1.7
250.14369	9.1
258.17056	0.5
267.15918	19.7
268.15527	1.8
278.88763	0.4
285.16974	20.5
286.17480	0.6
298.05859	0.4
301.14371	0.5
309.17020	3.6
363.17883	0.8
370.18585	1.7
377.13376	0.6
393.19028	0.6
485.24670	0.7
503.26282	2.3
511.26236	0.8
529.27905	2.3
691.32123	0.7
709.22449	1.1
731.26337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01860	0.8
55.05516	3.3
56.05049	1.6
57.03431	2.2
61.02946	2.9
63.70919	0.5
65.02038	0.5
65.03910	0.6
65.08315	0.5
67.05512	4.1
69.03431	1.5
69.07093	0.8
70.06599	56.7
71.01335	0.5
71.04996	1.6
71.06903	0.5
71.54834	0.5
72.08163	5.9
73.02915	1.3
78.36435	0.5
79.05487	4.8
81.03426	39.3
81.07064	4.5
83.04975	1.6
83.08630	9.2
84.04510	30.6
85.02922	3.6
86.09722	0.6
91.03947	1.1
91.05484	6.4
93.07069	3.7
94.95272	0.6
95.04980	12.3
95.08604	1.1
96.04505	4.5
97.02901	2.7
97.06561	0.8
98.06046	1.4
98.97600	0.7
99.04469	3.7
102.05538	0.9
105.07046	4.3
107.04974	3.2
107.08588	1.6
109.02927	0.6
109.06561	1.2
109.10178	0.7
110.06059	0.8
111.04456	1.1
111.08103	3.8
112.07642	0.6
114.05493	0.5
115.05464	0.5
116.07102	56.1
119.04924	0.6
119.08613	4.9
121.10159	3.7
124.03967	0.9
126.09057	0.7
127.03958	0.6
129.07042	3.3
130.05022	11.1
131.08580	4.7
133.06511	1.5
133.10158	2.1
136.07570	2.3
137.09618	1.2
138.05449	0.5
138.09172	0.9
142.07785	0.7
145.10085	0.7
147.04398	0.9
147.08057	1.2
147.11732	2.2
149.09644	4.8
152.07062	0.5
154.08650	1.2
157.10104	4.6
163.03914	1.2
163.11194	0.5
164.07106	0.6
165.12704	0.6
167.10663	0.5
175.11185	5.1
182.08145	15.3
184.09715	4.5
193.12262	25.4
194.15402	1.0
199.10829	1.2
201.12444	0.9
204.13876	2.1
211.13350	2.5
222.14937	1.5
227.10246	0.7
228.06528	0.8
228.08694	10.5
230.38101	0.5
233.58162	0.5
235.13316	0.8
245.11356	100.0
246.11644	1.1
250.14388	12.5
267.15955	17.1
268.15414	2.5
285.16989	20.0
287.05203	0.6
302.19812	0.7
309.17133	3.0
345.84079	0.6
370.18768	2.9
375.17975	0.8
485.24869	2.1
503.25833	5.0
511.26575	0.9
529.27686	3.9
547.10669	0.6
547.28418	1.0
589.75964	0.5
665.31036	1.0
691.33081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
55.05518	10.9
57.03442	12.8
60.00943	0.7
61.02942	1.8
64.94550	0.8
67.05170	1.3
67.05511	18.1
69.03429	4.0
69.07081	5.2
70.06573	0.7
70.59723	1.9
71.04993	3.4
74.82513	0.9
79.05496	22.2
81.03425	85.3
81.06581	1.2
81.07060	19.0
82.03738	1.2
83.04990	8.2
83.08627	22.3
85.02910	11.4
85.06574	1.3
91.05488	22.9
93.07055	13.6
95.04980	26.7
95.08622	9.5
97.02898	4.8
97.06536	4.1
97.10178	6.1
99.08057	1.1
105.07043	18.4
105.81241	0.9
107.04958	8.6
107.08597	8.0
109.06526	4.8
109.10163	3.6
111.04463	1.8
111.08101	8.0
115.05425	1.7
117.07053	3.3
119.04960	1.9
119.08596	16.8
121.06480	4.0
121.10148	9.7
123.04427	1.0
123.08076	2.9
125.09629	4.3
127.04032	0.8
129.07028	10.4
131.04883	1.0
131.08582	13.7
133.06526	4.1
133.10158	7.5
135.04404	1.1
135.08075	1.6
137.09595	1.7
142.07774	3.4
145.06502	4.2
145.10130	2.9
147.04451	1.9
147.08115	2.8
147.11707	11.0
148.11906	1.0
149.09610	7.1
155.08620	1.2
157.06444	1.0
157.10127	12.4
159.08043	1.4
163.03914	3.4
163.11192	1.7
165.12814	2.3
169.06430	0.9
171.08055	1.7
171.11656	1.2
175.11189	14.5
181.86517	0.8
189.11214	1.6
193.12260	32.9
195.11664	0.9
197.13336	1.0
211.13332	16.7
215.07010	0.9
219.13948	1.1
233.15488	1.2
237.12718	1.2
249.14832	2.1
255.13857	2.4
259.09613	2.3
267.15936	100.0
268.16229	2.1
273.14816	5.0
285.16986	14.8
339.23199	1.0
341.21173	1.7
349.21643	2.7
367.22726	10.8
385.23761	12.2
402.12762	1.6
403.24768	3.0
405.24405	1.1
415.24591	1.1
433.25821	12.9
436.46252	0.9
441.26349	6.1
459.27451	60.5
460.27765	2.8
477.28528	44.2
478.28650	2.5
495.29089	1.9
501.28592	1.1
519.29645	0.9
526.78418	0.9
585.30652	1.2
633.99109	1.1
647.85626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41772	0.9
53.03944	3.4
55.01878	4.6
55.05510	7.3
56.96560	1.9
57.03432	6.7
61.02924	1.8
62.75801	0.8
67.05507	25.8
69.03429	4.6
69.07072	7.6
71.04987	3.2
71.54740	1.3
73.02922	2.2
73.87914	0.9
79.05503	12.0
81.03419	33.9
81.07059	24.1
82.03753	1.0
83.04563	1.1
83.04990	6.8
83.08624	7.9
85.02905	3.6
85.06535	3.3
90.49915	1.0
91.03931	1.4
91.05488	21.7
91.79862	1.0
93.07044	14.1
95.04970	10.5
95.08616	3.7
97.02882	3.2
97.06544	8.4
97.10146	2.1
99.04456	2.6
99.08121	0.9
105.07034	21.1
106.69679	0.9
107.04974	3.5
107.08596	17.2
109.02883	0.9
109.06519	3.4
109.10158	29.4
111.04409	1.4
111.08084	3.5
113.06001	1.1
115.05511	0.9
117.07051	1.4
119.08571	6.1
121.06532	1.8
121.10154	2.6
123.04375	1.1
123.08047	0.9
123.11711	5.3
125.09631	1.8
127.07499	1.2
129.05452	1.3
129.07004	3.5
131.08604	4.5
133.06418	1.0
133.10138	37.4
137.09607	2.4
145.10159	1.2
147.04398	3.3
147.08049	1.6
147.11682	3.9
149.09636	2.4
151.11191	23.7
157.10141	4.1
161.09566	1.5
163.11150	1.9
165.09111	1.0
167.08531	1.0
169.12215	2.5
173.11760	1.1
175.11095	4.7
179.10696	1.8
181.32445	1.2
189.60358	0.9
193.12253	12.0
209.09761	0.9
211.13280	3.5
211.88036	1.1
215.12653	1.3
249.14786	1.0
253.14357	100.0
254.14731	2.6
267.09106	1.3
267.15912	35.3
268.16272	1.7
271.15402	23.9
283.15506	1.6
285.10175	2.9
285.16925	2.5
297.29459	0.9
305.64340	0.9
357.15552	1.3
371.22607	1.2
383.10837	1.3
389.22879	1.2
445.25894	19.4
459.27667	0.9
463.26926	50.1
464.27213	2.2
477.28088	1.4
495.29459	4.5
505.28082	1.3
530.31390	1.7
639.29913	1.6
682.29730	1.0
710.34460	7.8
711.31323	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	710.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.05292	1.4
55.05517	13.2
57.03445	12.0
57.07080	2.2
61.02915	1.5
62.20645	1.1
65.03932	3.6
67.05511	65.0
68.05822	1.3
69.03416	2.0
69.07077	12.5
69.51307	1.1
70.87187	1.1
71.04983	2.7
71.08633	2.2
71.55803	1.4
77.03927	1.5
79.05504	30.8
81.03420	3.9
81.07066	42.9
82.07379	1.3
83.04977	3.8
83.08641	5.3
85.06552	1.7
91.05492	90.0
93.07056	31.5
95.04970	4.9
95.08618	29.9
95.09229	1.1
96.64037	0.9
97.02934	1.0
97.06534	3.2
97.10167	2.2
97.93534	1.1
98.01243	1.3
105.04504	2.2
105.07041	39.8
107.04965	1.4
107.08609	16.5
109.06524	2.6
109.10168	15.7
117.07008	4.9
119.08601	11.0
121.10155	11.6
121.50590	1.1
123.08052	2.0
123.11705	4.3
128.06204	2.8
129.07002	1.5
131.08582	9.3
133.10147	91.6
135.11702	10.1
143.08560	5.1
145.10112	4.6
147.11703	3.9
149.13242	2.8
151.11179	4.5
159.11629	3.9
161.09630	13.7
161.13307	1.1
163.11148	1.8
163.14890	1.5
173.13271	3.3
175.14732	1.8
179.10654	2.8
187.14809	2.0
197.11769	4.4
213.72305	1.1
235.13515	1.3
243.21066	3.0
251.12917	2.2
253.14388	56.7
261.22159	6.1
268.54178	1.1
317.24768	2.2
335.25824	100.0
336.26120	2.1
367.25772	1.1
513.35840	73.9
514.36023	4.0
531.36230	1.5
538.37921	1.6
545.38586	1.2
617.05591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01886	0.8
55.05505	1.7
56.96562	2.8
57.03433	1.4
57.05591	0.5
58.26023	0.6
60.72811	0.6
61.02925	1.7
67.05515	4.4
69.03423	2.1
69.07059	1.1
70.06585	0.7
71.04980	0.6
71.55100	0.8
73.02902	1.3
79.05499	2.6
80.05836	0.7
81.03428	3.7
81.07043	3.5
83.04994	1.4
83.08627	1.7
85.02911	3.1
91.03963	1.1
91.05486	3.2
93.07062	3.0
94.96765	0.6
95.04969	2.3
95.08575	1.4
96.41764	0.6
97.02908	3.0
97.06539	1.6
98.97588	1.2
101.02404	0.6
105.07014	2.1
107.04976	1.1
107.08606	2.6
109.06523	0.5
109.10174	2.4
118.99873	0.6
119.04922	1.1
119.08595	1.2
121.06550	0.8
127.03976	0.9
131.00128	1.2
131.08540	1.0
133.10149	2.0
135.11722	1.4
137.09636	0.7
145.10114	1.0
147.04430	2.3
149.01274	0.9
149.09700	0.6
151.11221	1.0
163.03918	0.6
163.11172	1.1
177.00679	0.7
193.12265	1.2
209.11786	0.8
211.13345	0.8
229.14363	0.6
230.59634	0.6
243.08641	0.7
253.12059	0.7
253.14305	2.9
254.14667	1.2
255.09111	1.1
265.07547	0.9
267.09003	4.7
267.15985	1.1
268.16330	1.1
269.08173	0.7
283.08575	2.1
285.10168	4.2
294.15973	0.6
301.09647	0.8
309.09811	0.7
315.08661	1.7
329.14465	0.6
330.11044	2.0
335.19183	1.2
383.14908	1.3
446.26480	0.9
456.11008	0.7
464.27356	1.4
467.19089	3.3
471.50418	0.8
483.15970	1.3
485.17365	2.2
496.30048	0.9
501.16443	1.4
519.74426	0.7
639.29932	4.4
639.48328	0.6
693.30884	3.6
711.30194	100.0
712.30341	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	711.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
57.03437	1.2
61.02933	5.9
62.18996	1.0
67.05518	3.5
69.03434	4.2
69.07066	1.1
71.05010	1.5
71.16107	2.2
73.02918	3.8
73.16353	0.8
79.05499	3.2
81.03420	10.4
81.07061	3.6
83.05005	1.3
83.08630	2.6
85.02905	5.8
85.06561	1.0
91.03962	3.0
91.05493	4.0
91.26057	0.9
93.07075	3.2
95.04977	4.1
95.08598	2.3
95.19818	0.9
97.02911	4.1
97.06543	1.2
101.02414	1.2
103.03911	1.1
105.07040	3.9
107.04963	1.6
107.08598	1.9
109.02939	1.3
109.10229	1.1
111.08096	1.1
119.08619	2.9
121.10212	1.6
127.03937	1.6
129.07059	1.1
131.08620	2.1
133.10132	1.5
136.22734	0.9
147.11620	1.4
149.09625	1.3
157.10208	2.1
163.11218	1.0
175.11287	0.9
177.05505	1.1
177.38533	1.1
193.12276	2.6
211.13322	1.0
225.35164	1.0
243.08543	2.1
267.15979	2.5
283.15176	5.2
313.30692	1.0
435.03140	1.0
451.19659	8.5
501.23215	8.3
711.35693	100.0
712.36206	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	711.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54749	0.4
51.07332	0.5
53.03951	0.8
55.01878	1.1
55.05526	2.1
57.03436	3.0
58.17257	0.4
59.05031	1.2
61.02929	6.2
62.77779	0.5
67.05508	8.6
69.03433	3.9
69.07088	1.7
71.01383	1.1
71.05023	1.4
71.98000	0.5
73.02937	3.4
81.03420	5.4
81.03832	0.4
81.07069	3.3
82.75994	0.5
83.05012	1.4
83.08659	1.5
85.02911	6.6
85.03350	0.5
85.06573	0.5
87.04489	0.9
91.03967	4.0
91.05496	5.6
93.07058	3.9
95.05016	2.3
95.08641	1.5
97.02907	5.6
97.06567	1.4
97.10235	0.7
99.04492	1.6
101.02433	2.1
105.07069	3.6
107.05006	1.5
107.08598	2.6
109.02921	1.1
109.06580	1.2
109.10160	5.8
109.69912	0.5
111.04462	0.5
111.08122	0.6
115.03979	0.5
117.07085	1.2
119.04986	1.2
119.08621	4.1
121.10223	2.0
123.08109	0.7
125.09689	0.6
127.04012	1.6
128.06335	0.6
129.07050	1.2
131.08624	1.8
133.06572	0.6
133.10204	2.3
135.11800	0.7
138.80130	0.6
145.10201	1.2
147.04527	2.1
147.11771	2.0
149.09698	1.7
157.10136	2.4
163.11279	1.1
167.07176	0.6
173.11845	1.6
175.11348	1.7
193.12410	1.5
203.05435	0.6
225.15083	0.6
229.14574	1.3
233.11511	1.0
243.08395	3.6
267.09106	1.0
267.16144	1.4
283.15198	4.0
307.07800	0.7
339.18091	0.7
400.97522	0.5
413.17880	5.3
451.19534	8.3
451.25116	0.8
467.19003	3.1
501.23062	5.4
581.28882	1.0
639.29962	34.4
640.30438	1.3
665.31921	0.8
667.33081	1.0
711.35614	100.0
712.36011	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	712.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96461	1.4
53.03938	4.7
55.01867	5.3
55.05511	21.2
57.03437	20.9
57.07073	2.8
61.02926	3.5
63.45085	1.5
65.03938	2.1
65.51304	1.5
67.05505	71.5
69.03424	1.7
69.07074	20.9
69.27654	12.6
69.29643	1.4
70.83738	1.4
71.01360	2.7
71.04993	4.0
77.03902	1.8
79.05495	55.2
79.43130	1.5
81.03413	5.2
81.07057	57.8
82.07363	2.1
83.04981	14.2
83.08611	5.3
85.02908	4.1
85.06527	3.4
91.04969	2.5
91.05486	29.2
93.07046	70.2
95.04951	3.9
95.08604	43.0
96.08952	1.7
97.06528	15.0
97.10178	8.0
99.08080	3.7
99.15504	1.5
105.07046	14.1
107.08598	36.6
109.06530	3.1
109.10168	18.3
109.53196	1.6
111.08093	3.2
117.07011	8.0
119.08582	13.8
121.10145	22.6
122.10495	1.7
123.08064	2.1
123.11713	4.3
125.09613	1.6
131.08591	8.8
133.10117	13.7
134.68127	1.5
135.08034	2.3
135.11693	49.8
137.05954	1.8
137.09563	1.7
145.10107	12.9
147.11638	3.9
149.13268	4.1
151.14867	1.4
153.12724	8.3
158.72212	1.4
159.11702	2.8
161.13252	3.9
163.11191	6.3
163.14799	4.0
173.11833	1.7
173.13261	5.3
181.12248	12.1
187.14987	1.5
227.12805	2.8
243.21069	3.9
249.09128	1.5
253.14389	3.6
255.15921	80.5
261.22070	15.5
271.19266	1.9
273.22165	1.6
317.24722	1.9
335.25793	80.0
336.26041	7.5
397.31396	1.5
423.32346	2.2
441.33609	2.3
512.28735	1.5
515.37341	100.0
516.37872	2.9
532.41266	2.5
533.38306	3.2
712.43762	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	713.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05512	0.9
56.96573	0.6
57.03428	0.8
61.02924	1.3
67.05505	2.6
69.03423	2.2
69.07079	1.2
70.06595	0.7
71.04996	1.0
71.05885	1.1
73.02907	1.3
79.05502	2.3
81.03429	2.0
81.07070	1.8
83.05013	1.0
83.08617	0.9
85.02911	2.9
91.03973	1.0
91.05508	1.6
93.07044	1.3
95.04969	1.4
95.08601	0.7
97.02895	2.3
97.06535	0.9
100.42972	0.6
101.02424	0.6
105.07033	0.9
107.04957	0.8
107.08575	0.9
109.02824	0.6
109.10185	1.0
127.03958	1.0
133.10175	0.8
143.25812	0.5
163.03908	1.1
175.11336	0.6
193.12280	1.1
212.27510	0.6
241.11124	0.6
243.08388	0.7
253.05515	0.6
257.04584	1.5
267.09158	3.7
285.10202	2.2
285.17023	0.8
287.05557	0.7
309.10016	0.7
447.22333	0.6
448.27869	0.7
465.11929	2.6
467.19138	2.0
469.20380	2.9
485.17087	3.2
533.26935	0.9
551.15521	2.2
551.28784	0.7
641.31073	0.9
690.67395	0.6
695.31952	4.0
713.32135	100.0
714.32367	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	714.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91301	7.7
55.05508	32.4
57.03436	21.7
57.07057	8.3
57.12664	6.3
67.05505	100.0
69.03424	10.3
69.07063	20.6
69.38343	42.3
69.38764	20.5
71.04978	9.2
71.83727	7.8
79.05501	52.8
81.07060	94.7
83.08630	16.3
86.09705	18.9
91.05478	43.8
93.07040	60.1
95.08615	74.1
97.02898	7.7
98.21522	15.5
105.03405	7.1
105.07036	42.7
107.08620	41.9
107.09243	7.6
108.89282	7.6
109.10163	50.4
117.06998	8.0
118.08022	7.8
119.08595	42.2
121.10149	27.0
125.00001	15.6
125.09671	8.1
131.08580	20.1
133.10123	25.3
135.11676	19.4
145.10112	14.7
147.11699	23.8
149.13316	9.1
159.11740	15.5
161.13347	9.4
163.14745	8.5
165.12729	15.7
167.82129	7.5
173.11743	16.3
173.13269	13.4
175.14745	9.5
184.07362	42.8
185.82268	7.4
229.14293	74.1
239.16440	18.7
261.22113	18.5
335.25839	70.6
489.35638	31.3
495.60947	10.1
499.37753	26.4
517.39050	55.6
573.48932	9.3
714.39075	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	714.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	26.1
57.03434	19.3
59.11377	7.0
67.05509	98.1
69.07072	24.9
69.22507	49.5
69.22928	21.0
71.05012	8.8
79.05497	47.1
81.07061	94.0
83.05013	10.7
83.08630	17.1
86.09698	19.9
91.05496	35.3
93.07053	47.6
93.78983	6.7
95.04950	8.4
95.08607	65.9
97.06519	7.3
105.07018	36.2
107.08611	41.2
109.10171	70.8
117.07024	8.0
119.08597	28.0
121.10159	30.4
123.08074	11.0
123.11693	10.4
125.00009	14.7
131.08534	14.6
133.10168	22.2
135.11684	23.9
145.10138	18.2
147.11702	24.7
147.23863	7.4
159.11714	10.1
165.12857	9.0
173.11769	16.8
173.13211	11.5
184.07399	46.0
192.68619	7.5
217.25638	8.4
221.94887	6.5
229.14378	76.9
239.16454	19.1
261.22165	23.2
335.25836	100.0
383.86377	7.8
414.56866	8.1
417.30826	7.9
425.34262	9.0
489.35901	55.5
499.37692	25.3
517.38867	55.7
686.83124	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	715.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43819	0.3
57.03445	2.7
62.39017	0.4
62.51598	0.3
68.99756	0.4
69.03397	0.4
69.12326	0.3
69.36576	2.8
70.06579	0.9
75.04441	1.0
80.73444	0.3
81.03381	0.5
85.02899	0.7
86.06052	0.5
91.05446	0.4
95.71194	0.4
97.02859	0.5
97.06554	0.4
98.20779	0.8
109.02848	0.4
110.03662	0.5
117.52368	0.4
120.08087	0.7
124.32272	0.3
137.06004	0.5
145.02899	0.4
151.03899	2.7
151.05000	0.5
153.01831	13.3
163.03893	1.0
165.06981	0.5
193.06543	0.8
197.05977	0.6
203.03391	0.5
209.05989	0.9
210.06712	1.6
221.06107	1.7
237.05492	9.3
238.06305	1.8
243.06441	0.5
245.11299	0.5
249.05424	1.3
250.06390	0.5
253.08699	2.0
265.04950	22.5
266.05612	2.4
269.04416	0.4
281.04480	8.3
281.08093	18.1
282.05161	1.0
282.08209	0.5
283.05975	2.2
293.04440	6.2
309.03952	0.6
310.04803	1.6
311.05502	100.0
312.05917	2.2
323.05328	0.4
327.06366	0.5
337.03439	19.7
342.16779	1.0
344.06802	0.7
345.07397	0.8
355.06107	1.7
359.23355	1.3
361.07312	0.4
372.06320	0.7
373.06995	2.4
383.05466	1.0
387.08383	0.4
400.05731	1.4
401.06534	3.9
405.09845	1.3
415.08163	1.0
417.05960	3.0
418.06638	3.1
433.09198	19.8
434.09445	0.5
435.10928	0.6
461.08902	1.7
553.13416	61.1
554.13776	2.6
575.89478	0.4
698.25476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01883	0.4
55.05514	1.4
57.03450	1.7
58.14866	0.3
61.02932	3.4
67.05508	2.3
69.03447	2.6
69.07071	1.8
69.37022	2.8
70.84453	0.3
71.01369	0.6
71.04993	0.9
73.02921	2.5
79.05504	3.4
81.03426	4.9
81.07059	3.6
83.04995	1.2
83.08620	1.3
85.02914	6.6
86.78471	0.3
87.04514	0.3
88.20103	0.4
91.03957	2.0
91.05488	3.0
93.07060	2.8
95.04975	1.7
95.08636	1.5
97.02906	4.1
97.06554	1.2
97.10242	0.4
98.20687	0.4
99.04485	0.6
101.02407	1.5
105.07043	2.8
107.04990	0.5
107.08629	1.0
109.02908	1.3
109.06506	0.6
109.10199	0.6
111.08113	0.6
113.06029	0.3
119.08566	2.1
121.02876	0.4
121.10155	2.0
127.03948	1.6
129.07011	1.2
131.08611	1.3
133.10172	1.3
137.05995	0.4
139.11247	0.9
145.04987	0.6
145.10147	0.4
147.04471	0.5
147.11726	1.3
149.09660	1.5
157.10188	1.4
163.03873	1.6
167.10741	0.5
175.11241	1.1
185.04282	0.6
193.12294	2.3
205.19534	0.4
211.13406	0.9
243.08395	2.6
249.14868	0.4
251.12659	1.6
257.04642	0.9
259.09821	0.9
267.16040	0.5
269.13745	1.4
269.21182	0.5
325.16525	0.4
425.18100	0.4
443.19016	4.6
469.20535	10.9
470.21146	0.4
487.21704	4.6
513.68970	0.4
553.13647	2.6
553.29932	0.5
653.31299	0.4
671.32452	2.5
697.33868	1.8
715.35168	100.0
716.35565	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	715.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.50522	0.7
55.01896	0.7
55.05507	1.1
56.96556	0.9
57.03444	2.4
59.05009	0.9
61.02926	5.2
62.36364	0.7
62.97650	0.7
67.05507	3.3
69.03436	3.1
69.07064	1.3
70.84298	1.9
70.89439	0.6
71.04993	1.5
73.02930	3.2
79.05489	3.9
81.03434	5.3
81.07051	3.0
83.04978	1.4
83.08653	1.3
85.02910	4.3
85.06557	1.0
89.98522	0.7
91.03970	2.6
91.05483	5.7
93.07038	3.0
95.04989	2.0
95.08611	0.8
97.02898	4.0
97.06538	1.9
99.04412	0.8
101.02398	1.1
105.07021	3.7
107.04977	1.3
107.08607	2.9
109.02943	1.4
109.06521	0.6
109.10149	3.1
119.04979	1.3
119.08578	1.9
121.10168	1.6
127.03895	1.1
129.06961	0.9
131.08595	1.8
133.10144	5.6
147.04436	2.5
149.09694	1.1
151.11209	2.5
157.10213	1.0
159.78236	0.6
163.04016	1.0
175.11232	1.3
177.05577	0.6
193.12318	1.4
203.05467	1.0
235.07785	0.6
237.11232	0.9
243.08572	1.7
253.14386	1.0
255.10840	0.9
273.11841	0.9
283.15292	2.5
339.18240	0.8
350.06616	0.7
426.99875	0.7
451.19705	1.1
455.18948	9.0
469.20609	1.5
501.23068	7.7
665.31116	8.1
697.33698	2.9
715.35071	100.0
716.35577	4.0
733.65259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28108	0.9
51.47084	0.9
55.01871	1.2
55.05504	3.9
57.07077	30.9
67.05504	1.1
69.07069	5.6
69.31538	7.2
71.08638	26.2
73.06563	10.1
79.05506	1.3
80.81241	1.1
81.07063	2.4
83.08619	4.2
85.10189	17.1
87.04483	9.9
89.06036	100.0
91.07609	1.1
95.08607	1.8
96.89273	1.4
97.10169	5.1
98.20787	2.3
99.11752	2.5
107.07066	1.9
111.11717	2.6
113.13284	1.7
117.09139	8.3
125.13298	1.4
127.14806	1.5
130.08647	2.6
131.07014	2.4
133.08612	53.8
135.09270	1.2
135.10175	1.4
161.11728	2.7
171.25914	1.1
175.09695	2.2
177.11217	21.6
197.22601	1.7
201.80994	1.0
221.13866	3.9
262.26501	1.1
265.16592	1.3
283.17432	1.3
285.27902	5.6
309.19101	1.4
325.60916	1.2
329.30493	3.7
419.14124	1.0
455.36258	1.2
503.30899	1.3
503.50723	1.1
699.52057	1.8
716.55420	1.9
717.41742	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	717.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01879	0.6
55.04680	0.4
55.05505	1.9
57.03436	1.5
59.19275	0.4
59.56756	0.4
60.35503	0.4
61.02929	5.9
67.05514	5.8
69.03442	3.0
69.07078	1.4
69.32898	2.9
69.33296	0.9
73.02934	4.0
79.05494	4.5
81.03428	1.6
81.07063	4.6
83.04988	1.1
83.08646	0.4
85.02913	5.2
87.04474	0.8
87.67616	0.4
91.03957	3.4
91.05503	1.9
93.07047	5.5
95.04967	0.4
95.08623	4.7
97.02904	4.9
97.06526	0.6
97.10193	1.3
98.78561	0.4
99.04488	1.1
101.02399	1.6
103.03953	0.4
105.07068	1.1
107.08573	2.3
109.02892	0.8
109.10184	1.7
111.08092	0.5
115.64342	0.4
117.07047	0.8
119.08622	1.0
121.10154	2.0
123.08083	0.4
125.09650	0.5
127.03955	1.2
133.10147	0.5
135.11697	2.4
145.10132	0.9
158.54449	0.5
159.11708	0.6
184.07394	0.5
221.11581	1.4
243.08531	1.7
259.15118	0.5
260.15930	0.6
280.71707	0.4
334.09842	0.4
335.25848	1.3
336.26291	0.6
399.39249	0.4
439.19464	3.7
466.19669	0.4
519.29297	8.7
520.37299	0.6
717.41882	100.0
718.42224	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	718.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
54.94285	2.0
55.01863	5.4
55.05518	17.5
57.03438	7.3
59.04987	4.5
61.02935	2.8
63.57125	2.1
65.03942	3.9
67.05510	100.0
69.03429	6.6
69.07076	14.1
71.04987	6.0
71.54544	2.8
73.02903	2.6
79.05497	25.9
81.03409	5.5
81.07061	37.1
83.04961	5.1
83.08613	8.4
85.02888	4.8
85.06514	4.4
90.50338	2.0
91.05476	26.5
93.07053	22.6
93.41826	2.0
95.04976	5.5
95.08614	17.2
97.02890	3.4
97.06538	9.0
97.10152	6.0
99.08115	2.4
105.07029	18.7
107.04967	4.0
107.08587	19.2
109.06551	2.8
109.10165	74.6
111.08112	3.6
116.72291	2.0
117.07016	8.4
119.08572	17.8
120.08212	1.7
121.10155	7.0
123.08083	2.8
123.11643	2.1
125.09637	5.4
129.06966	3.3
131.08574	11.1
133.10156	10.1
134.09644	7.7
135.08022	3.6
135.11725	7.8
137.09627	5.1
144.47018	2.3
145.10136	11.7
147.11716	5.8
149.02348	16.0
149.09636	6.4
149.13240	3.5
155.10510	4.6
159.11708	6.1
161.13313	3.1
163.11241	4.4
171.11740	2.7
173.11749	16.8
173.13152	4.5
189.11212	3.7
193.04971	17.2
227.12808	11.8
229.14377	54.2
229.16563	3.3
230.15030	2.2
237.07538	5.6
246.14906	2.1
257.19080	3.8
269.17520	7.6
275.20087	19.3
341.06494	4.6
349.23825	15.4
359.07730	3.1
385.09259	6.4
395.80737	2.2
409.25723	9.5
423.27402	45.3
429.11859	23.4
463.30737	2.8
503.33734	27.3
521.34747	5.1
718.36841	9.6
721.94055	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	718.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01866	5.6
55.05520	17.1
57.03435	8.7
59.04999	5.0
61.02939	3.4
65.03954	3.5
66.62371	2.1
67.05509	100.0
69.03427	4.7
69.07075	16.6
69.53793	3.0
69.54124	13.9
71.04993	7.2
74.22279	1.9
79.05494	21.9
81.03421	8.6
81.07063	33.2
83.04984	4.6
83.08642	11.1
85.02905	6.3
85.06548	6.4
91.05487	26.6
93.07055	30.2
95.04971	6.5
95.08615	18.0
95.49221	1.7
97.02879	4.1
97.06541	7.1
97.10172	7.6
99.08089	4.3
105.07036	14.8
107.04943	3.1
107.08603	19.8
109.02927	3.0
109.06563	2.6
109.10161	70.0
111.08091	4.8
112.86292	2.0
117.07016	8.5
119.08614	18.4
121.10148	7.1
123.08056	2.4
125.09649	6.5
127.11241	2.4
129.07001	3.7
130.68945	1.8
131.08580	8.8
132.42198	1.8
133.10159	11.0
134.09679	3.2
135.08098	3.4
135.11719	7.0
137.09612	2.8
143.08531	3.3
143.91904	2.4
145.10138	7.9
147.11697	5.2
149.02354	3.3
149.09625	7.0
149.13214	2.4
155.10698	2.3
157.10123	2.5
159.11711	7.2
163.11206	7.1
169.10146	3.7
173.11752	17.8
173.13168	4.4
189.11270	4.7
193.04980	7.8
195.13750	2.3
227.12854	14.1
227.84325	2.1
229.14354	61.4
239.17935	2.4
255.15904	2.6
257.19000	6.3
269.17511	9.3
275.20105	20.5
309.20773	3.0
316.58072	2.0
349.23639	20.4
383.24146	2.8
399.23706	2.7
409.25970	13.8
423.27368	47.7
429.11856	9.7
463.30469	5.0
503.33612	29.2
521.34692	4.3
525.09723	2.0
552.28967	2.3
567.31329	3.3
718.36194	4.0
725.81702	2.2
729.18390	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58914	0.7
55.01881	2.4
55.05270	0.8
55.05518	10.2
57.03444	9.5
57.07084	29.5
61.02932	1.5
67.05515	17.9
69.03439	0.8
69.07080	9.9
69.21780	4.6
69.22206	3.2
71.04977	2.5
71.08640	21.6
79.05500	19.5
81.03429	1.7
81.07068	21.9
83.04976	2.4
83.08630	12.4
85.02903	1.6
85.06584	0.9
85.10189	12.0
89.06030	3.8
91.05480	6.4
93.07056	26.2
95.04984	4.3
95.08617	42.1
97.02914	4.4
97.06535	3.9
97.10162	3.4
99.04439	2.2
103.07580	1.5
103.28878	1.0
105.07062	4.7
107.04966	6.2
107.08606	22.0
109.06525	2.2
109.10165	9.4
111.04437	1.2
111.08075	1.5
117.07027	7.5
119.08606	7.5
121.06509	5.3
121.10155	9.9
123.11687	2.7
125.05999	2.4
129.87976	1.0
130.07764	1.4
133.08591	1.1
133.10139	2.1
135.08057	2.1
135.11711	38.9
137.13278	1.3
139.07515	1.3
145.09038	1.5
145.10143	22.9
145.11293	1.4
163.11195	56.4
172.07817	0.8
181.12241	8.7
209.11707	1.5
227.12804	63.3
228.13138	1.9
239.23741	1.7
244.44658	1.0
257.24814	2.3
259.15259	1.3
283.15424	90.6
284.15775	1.9
313.27402	100.0
314.27795	2.4
326.18808	0.9
475.21249	2.1
521.38428	98.1
522.38690	4.3
622.27844	6.0
718.42365	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	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01873	2.0
55.05515	13.0
57.03183	1.6
57.03444	13.1
57.07080	28.6
59.06115	1.5
61.02923	3.8
67.05508	23.9
69.03423	3.1
69.07079	10.3
71.04973	3.8
71.08636	23.3
73.02898	1.3
79.05492	15.6
81.03423	42.3
81.07063	29.9
83.04985	10.5
83.08623	19.9
85.02911	18.5
85.10188	11.2
86.09709	2.0
89.06102	1.3
91.03989	2.4
91.05492	22.5
93.07042	11.8
95.04976	16.4
95.08612	23.8
95.09184	2.8
97.02867	4.1
97.06523	3.4
97.10180	5.9
105.06475	1.5
105.07048	14.7
107.04951	5.1
107.08582	5.3
109.06499	3.1
109.10154	11.5
111.04437	1.8
111.08074	7.2
113.06049	2.5
115.05527	1.6
119.08589	10.5
121.10156	5.6
123.08094	1.9
123.11711	5.0
125.00002	1.3
129.06998	9.3
131.08585	7.8
133.06494	2.6
133.10138	9.6
142.07819	1.7
145.74207	1.4
147.07968	2.4
147.11687	7.9
149.09653	4.4
157.09113	1.3
157.10168	8.6
165.12654	2.7
175.11201	10.2
184.07353	4.4
193.12259	32.3
211.13316	53.1
239.23656	2.2
267.15918	18.8
285.16974	70.1
285.58844	1.5
313.27396	78.2
465.35602	2.2
505.38824	9.9
523.39966	100.0
524.40192	4.1
720.33112	2.0
720.45624	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	720.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91274	1.0
53.03936	2.4
55.01884	1.3
55.05514	11.8
57.03440	6.5
57.07081	17.5
66.22221	0.9
67.05515	16.4
69.03416	3.8
69.07078	6.9
70.94357	2.7
71.08286	1.2
71.08638	15.5
74.20709	0.9
79.05494	11.2
79.45340	1.0
81.03424	37.5
81.07071	18.7
83.04975	8.0
83.08628	18.9
84.08905	1.0
85.02911	13.6
85.10194	9.3
91.05487	10.8
93.07056	6.5
95.04967	13.7
95.08615	14.2
97.02917	2.1
97.06517	1.7
97.10168	3.4
103.07639	1.0
105.07045	8.7
107.04967	3.1
107.08591	3.3
109.06530	2.1
109.10128	6.0
111.08080	4.5
113.06023	1.3
119.08593	7.8
121.06510	1.3
121.10167	5.9
123.11729	2.2
129.07025	5.6
131.08568	4.1
133.10127	4.5
142.07716	1.4
147.08102	1.9
147.11707	7.5
149.09630	1.8
157.10112	7.7
163.11230	1.1
165.12770	2.1
175.11192	8.3
193.12265	24.5
211.13312	37.7
239.23749	1.8
251.08249	1.3
267.15930	8.0
285.14557	0.9
285.16983	35.5
313.27396	46.8
314.27670	2.6
317.38721	1.0
404.16150	1.3
408.18967	1.0
418.17374	1.9
419.18112	2.6
431.18332	1.2
432.19061	1.4
433.19727	1.8
434.20364	2.2
446.16766	1.2
447.21921	2.6
448.22363	5.7
475.21179	4.2
476.21613	10.2
477.22131	2.5
504.21408	1.1
505.38815	7.6
521.37683	1.0
523.39984	100.0
524.39868	3.5
535.23895	1.6
536.23804	7.3
562.25336	2.0
563.26538	2.4
622.27649	13.1
623.28241	49.5
624.28345	3.1
698.68994	1.3
720.33398	1.5
720.47040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78511	0.8
53.03942	1.4
55.01887	2.0
55.05523	6.0
57.03435	2.8
61.02936	4.9
67.05512	13.3
69.03440	5.8
69.07068	4.6
71.05009	1.4
71.55312	0.9
73.02927	3.6
79.05505	7.6
81.03435	8.6
81.07069	7.9
81.84152	0.8
83.05003	3.0
83.08637	2.7
85.02912	5.2
91.03983	2.6
91.05488	7.3
93.07050	6.7
95.04989	2.4
95.08610	4.1
97.02910	5.7
97.06544	3.7
97.10172	2.4
99.04479	0.8
101.02377	2.0
105.07046	6.0
107.04980	2.7
107.07989	0.9
107.08597	4.9
109.02908	2.2
109.06539	2.0
109.10165	5.9
111.04436	0.8
111.08092	1.0
117.07055	2.0
119.08567	5.1
121.06512	1.2
121.10165	2.0
123.08137	1.2
125.09669	1.7
127.03966	2.0
129.07004	1.9
131.08617	2.3
133.10144	4.4
135.11737	1.3
143.08540	1.2
145.05029	0.9
145.10173	1.8
147.11739	2.0
149.09673	1.1
151.11261	1.1
154.56700	0.9
157.10156	1.8
159.11771	1.2
163.11208	1.2
173.11829	2.2
179.14368	1.3
185.13535	0.8
193.12315	1.7
195.10002	1.1
211.13356	1.3
223.13370	1.2
227.12944	1.2
229.14301	0.8
243.08508	3.9
261.84265	0.8
267.16058	2.9
275.20093	5.5
291.19467	1.8
315.45377	0.8
339.07053	0.8
349.23947	2.7
364.27649	0.9
413.17786	8.6
429.21149	1.3
541.35498	4.2
549.26855	4.5
559.36584	1.3
703.40002	2.9
721.37726	100.0
722.37970	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	722.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01877	4.8
55.05518	13.0
57.03445	10.1
59.05003	1.8
67.05514	12.9
69.03431	1.9
69.07082	3.7
70.10391	2.9
71.04987	2.0
78.33169	0.6
79.05502	16.6
81.03427	42.5
81.07063	11.5
83.01360	4.1
83.04988	6.7
83.08627	11.6
85.02919	3.0
85.06545	0.8
89.48886	0.7
91.05489	14.5
93.07053	13.5
95.04976	14.9
95.08622	5.6
97.02891	2.2
97.06519	3.2
97.10183	5.9
99.04483	1.4
99.57580	0.7
103.05497	1.0
105.07041	10.5
105.94083	0.9
107.04962	9.1
107.08603	10.0
109.02895	1.1
109.06509	4.5
109.10172	3.9
111.04459	2.6
111.08089	3.6
115.05511	0.8
117.07035	5.3
118.91164	0.6
119.08595	9.9
121.06537	3.9
121.10156	6.0
121.69900	0.7
123.04424	1.9
123.08067	4.4
125.06010	1.0
125.09641	5.2
129.07022	5.9
131.04921	1.6
131.08582	6.3
133.06477	2.9
133.10138	3.7
135.04489	0.8
135.08118	2.0
135.11673	5.5
137.05988	1.2
137.09628	1.9
142.07773	1.2
143.08549	0.9
145.06508	2.7
145.10138	7.3
147.04408	1.9
147.08063	2.6
147.11719	3.2
149.09642	2.9
153.12758	1.9
155.08575	1.4
157.10147	4.6
157.65460	0.8
161.06032	2.5
161.09715	0.8
163.11206	11.2
165.12820	1.0
169.10149	1.7
171.08067	1.3
173.09682	2.5
175.11218	3.4
181.10318	0.9
181.12195	1.8
187.11066	1.0
189.11330	1.6
191.10675	1.7
193.12248	7.8
201.48596	0.8
205.12288	1.6
209.11729	3.5
211.11346	0.9
211.13249	0.9
225.12848	0.8
226.72896	0.7
227.12834	2.5
229.12161	1.2
231.13914	2.5
237.11261	0.9
237.14819	0.8
265.14484	0.9
267.15927	24.9
269.15369	1.0
271.13278	1.8
273.14981	1.4
283.15414	21.3
289.14407	3.0
303.15878	1.1
337.21796	0.8
355.22684	2.5
365.21042	3.8
383.22171	18.2
401.23373	7.9
403.22641	0.9
419.24243	2.3
421.23584	1.1
431.24054	1.4
457.25925	27.4
475.26987	100.0
476.27466	4.1
493.27933	10.5
493.34387	1.1
517.28308	1.2
571.29425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.3
58.67810	3.0
64.13766	2.7
71.03138	3.6
71.03461	4.9
78.79998	3.1
84.96037	3.8
94.88466	3.0
98.97600	42.9
110.97601	17.6
116.98640	15.0
128.98625	10.3
140.98550	5.6
141.06557	3.0
143.00162	10.0
152.98605	3.7
158.99669	12.2
161.01250	5.5
169.03401	3.7
170.99660	22.8
177.00729	11.5
182.99651	19.7
189.00784	15.9
201.00716	48.1
213.00717	2.9
219.01816	28.1
231.01787	6.2
237.02866	10.0
243.01845	21.7
261.00177	6.6
261.02859	98.6
273.02692	6.7
279.03870	32.5
291.03870	14.8
321.04950	30.0
351.05927	6.8
381.07825	88.7
399.08197	20.6
440.97104	7.0
441.09216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.7
65.99386	3.8
71.53695	8.8
84.39876	4.0
92.16886	5.4
98.97592	27.5
110.97592	14.0
116.98594	12.3
128.98642	13.9
143.00151	6.5
158.99619	24.9
170.99673	20.5
177.00706	8.3
182.99681	15.7
189.00652	13.2
201.00705	42.1
219.01761	37.8
237.02917	7.1
243.01842	23.5
261.02820	85.3
273.02975	8.7
279.03897	47.1
291.03958	12.2
321.04990	27.8
333.05011	5.7
351.05991	8.4
381.07721	94.1
399.08011	20.0
441.03256	7.0
441.09204	100.0
446.47180	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	723.195
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87029	3.1
84.96024	4.3
98.20760	9.3
98.97593	31.9
110.97562	8.7
116.98611	11.9
117.33785	3.1
128.98618	7.7
140.98643	3.8
143.00114	6.9
143.46657	3.2
158.99683	13.2
170.99684	17.6
177.00696	6.4
182.98257	3.1
182.99635	16.5
189.00661	10.4
196.08266	3.2
201.00700	44.6
219.01746	25.8
237.02739	8.1
243.01686	19.5
261.00186	5.4
261.02847	70.3
273.02777	5.3
279.03873	31.5
291.03857	8.5
321.04932	24.7
351.06171	3.2
381.07834	100.0
399.07971	10.5
441.09250	91.4
471.09991	3.7
596.84802	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	723.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05513	2.5
57.03429	2.5
61.02929	3.3
61.04547	0.7
65.03954	0.8
67.05511	11.3
68.40892	0.6
69.03433	3.4
69.07070	3.1
70.12582	1.6
71.04999	1.6
73.02923	3.2
79.05511	4.4
81.03421	4.1
81.07070	6.2
83.04985	0.9
83.08625	1.0
85.02901	5.4
91.03960	3.4
91.05480	4.8
93.07060	4.2
95.04989	1.9
95.08608	3.1
97.02898	3.5
97.06546	0.7
97.10201	1.0
99.04459	0.7
101.02393	1.9
103.03980	0.7
105.07062	2.4
107.04993	0.7
107.08617	2.1
107.52777	0.7
109.02906	0.9
109.06543	1.0
109.10178	7.1
117.07049	1.1
119.08588	2.7
121.06563	1.0
121.10094	1.0
125.09676	1.1
127.03961	1.4
129.07033	0.9
129.59850	0.7
131.08600	2.2
133.10167	0.9
134.10532	0.6
135.11726	1.9
137.09618	0.8
163.11253	1.0
171.11670	0.9
173.11813	1.7
195.09933	0.9
217.31592	0.7
229.14392	1.1
243.08432	2.1
247.70195	0.6
275.20319	1.1
311.38153	0.6
311.99686	0.7
333.20566	1.7
413.17975	8.6
447.26801	0.9
543.36725	1.2
551.28369	3.9
561.36768	0.8
723.39325	100.0
724.39343	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	723.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80367	0.5
53.03944	1.2
55.01868	0.8
55.05515	1.7
57.03446	1.8
61.02937	3.4
67.05516	9.7
69.03446	2.8
69.07071	1.5
69.93443	2.9
71.05000	0.8
71.80833	0.6
73.02918	3.3
77.88468	0.6
79.05511	4.1
81.03419	4.1
81.07065	5.8
83.04986	1.1
83.08635	1.4
85.02911	5.2
91.03955	3.2
91.05492	2.3
93.07054	4.0
95.04974	0.7
95.08620	3.3
96.27139	0.6
97.02899	4.0
97.06539	1.0
97.10163	0.8
99.04485	0.8
101.02383	1.5
105.07059	1.8
107.05006	0.6
107.08622	2.4
109.02917	1.1
109.10181	7.2
111.08104	1.0
117.07021	1.0
119.08579	1.3
121.10172	1.0
125.09596	1.0
127.03976	1.6
131.08594	1.7
133.10112	1.4
135.11728	1.4
145.10181	0.6
157.10175	0.6
161.13274	0.6
173.11772	1.9
185.04327	0.8
195.09926	0.8
243.08560	2.3
255.37148	0.6
333.20230	1.0
413.17865	9.4
429.17377	1.0
434.00989	0.6
439.19354	1.0
453.21158	1.2
463.78662	0.6
535.29047	0.9
551.28119	3.4
625.32306	0.7
705.38599	1.6
723.39276	100.0
724.39819	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	723.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05521	0.9
57.03428	0.9
57.07078	3.0
59.06116	0.4
61.02934	3.2
67.05514	2.1
69.03432	2.3
69.07069	0.6
71.08637	2.0
71.55343	0.5
73.02921	2.5
74.03699	0.3
79.05495	1.4
81.03421	1.3
81.07047	2.1
83.08616	1.2
85.02911	3.7
85.10191	1.1
86.15714	0.3
91.03976	2.2
91.05482	0.8
93.07056	1.6
95.08621	3.8
97.02914	3.1
97.10207	0.5
99.04465	0.6
101.02389	1.4
103.03985	0.4
105.07007	0.6
106.66447	0.3
107.04974	0.4
107.08634	1.7
109.02853	0.4
109.10173	1.2
117.07022	0.4
120.75582	0.3
121.10162	0.9
123.11755	0.5
127.03928	1.1
133.10216	0.4
135.11708	2.3
145.10159	1.4
163.11174	3.9
181.12279	0.8
184.07426	0.6
185.04245	0.5
219.09972	0.6
227.12872	2.4
243.08414	1.9
249.11009	7.4
249.13397	0.6
305.13577	1.8
313.27322	0.9
382.07281	0.3
390.88406	0.3
467.12476	0.7
467.18961	9.1
497.30911	5.2
723.42926	100.0
724.43207	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	723.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08242	2.7
53.03946	11.1
54.19576	2.5
54.90650	3.3
55.01868	9.0
55.05507	28.7
55.77959	2.9
57.03431	11.0
57.07073	8.9
59.05000	3.7
60.08186	3.0
64.60534	2.9
64.78786	3.1
65.03950	6.6
66.12877	3.1
67.05508	100.0
69.03432	22.8
69.07066	21.9
69.87985	15.5
71.01366	3.7
71.05008	8.6
71.08621	10.9
73.00115	2.6
79.05501	50.3
81.03423	41.0
81.07063	66.1
83.04996	18.9
83.08627	13.8
85.02913	15.9
85.06525	3.8
86.09705	12.8
87.04475	6.9
89.06039	13.7
91.05485	42.4
93.07051	62.0
95.04980	21.0
95.08615	42.3
96.95350	2.9
97.02898	25.4
97.06540	9.6
97.10178	11.5
99.04429	5.3
101.06017	3.0
101.16995	2.9
101.87154	3.2
103.05466	2.5
105.07036	33.2
107.04946	11.0
107.08607	42.4
109.02876	11.4
109.06529	4.7
109.10169	50.3
111.04453	12.6
111.08079	6.2
113.06038	3.6
117.07008	18.0
119.08591	33.6
121.06519	4.3
121.10142	29.4
122.47004	3.0
123.08088	7.5
123.11737	4.9
125.00007	13.0
125.09633	10.9
127.03905	7.0
129.07004	6.7
131.08560	27.0
133.08598	6.2
133.10136	19.6
135.08054	7.8
135.11671	22.1
143.08606	10.3
145.06471	5.3
145.10135	26.6
147.08101	6.4
147.11700	10.6
149.09616	5.2
149.13284	7.2
153.12750	8.6
155.08549	6.4
157.10175	5.8
159.11693	13.7
161.09657	7.5
161.13234	5.4
163.11172	23.0
169.10272	3.6
171.08081	3.2
171.11638	5.0
173.04472	5.4
173.09613	5.6
173.11810	6.5
173.13251	10.8
181.10312	3.2
181.12184	6.5
183.11681	5.1
184.07352	56.3
185.13254	4.7
191.10690	9.0
197.13176	3.3
201.12811	3.4
209.11746	25.7
211.14915	3.6
227.12706	16.2
231.46100	3.7
261.22162	12.6
265.14255	4.1
277.21649	3.6
283.15405	23.3
301.16455	8.4
301.21384	3.5
335.25745	14.8
345.24606	3.3
351.22992	3.4
369.24100	9.6
387.25223	6.8
389.26990	3.5
443.27643	4.5
445.20837	7.4
471.84763	2.9
489.35709	24.7
525.36310	2.8
532.24554	3.4
543.36932	24.9
561.37830	10.6
669.39624	9.2
687.41046	6.1
691.26941	4.9
705.41846	11.0
723.36914	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	723.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
53.53701	1.3
55.01876	4.4
55.05516	21.9
57.03446	7.7
57.07075	3.5
59.05006	3.1
59.41391	1.0
61.02924	1.9
63.66973	1.0
65.03937	6.5
67.05510	100.0
67.84205	1.1
68.05838	1.3
69.03429	10.1
69.07072	12.3
69.95768	4.9
71.04992	4.7
73.02910	2.6
79.05497	38.2
81.03424	17.8
81.06580	2.3
81.07063	42.3
83.04975	7.9
83.08624	10.5
85.02919	8.6
85.06568	2.6
86.09716	1.4
87.04481	2.1
91.05488	30.4
91.06011	2.1
93.07049	35.2
95.04972	8.1
95.08615	28.8
97.02876	7.5
97.06544	3.2
97.10172	10.6
99.04466	2.8
99.19839	1.1
103.03961	2.0
105.04512	1.9
105.07046	18.2
107.04971	5.1
107.08599	20.6
109.02898	4.6
109.06553	3.5
109.10165	55.1
111.04465	2.7
111.08076	3.5
117.06996	6.4
119.08589	17.6
121.06538	2.2
121.10144	16.7
123.04432	1.5
123.08088	2.5
123.11723	2.8
125.09630	9.3
127.03915	5.5
127.21998	1.2
129.07014	3.5
131.08578	11.2
133.06482	1.7
133.10149	8.0
135.08044	1.7
135.11696	11.6
137.06027	1.2
137.09630	2.8
143.08568	3.5
143.10794	1.4
145.06487	1.6
145.10132	10.6
147.08083	2.0
147.11673	7.0
149.09694	1.2
149.13260	3.5
155.08594	2.2
155.10658	1.8
157.10156	2.3
157.40317	1.2
159.11710	4.7
161.13281	3.5
163.11214	4.7
163.14870	1.5
163.92473	1.1
167.24077	1.2
169.10135	1.5
171.11755	3.4
173.04471	2.0
173.09665	2.3
173.11761	9.7
173.13284	4.7
177.12755	1.4
181.12296	1.7
184.07291	5.8
185.13326	1.3
185.82910	1.3
187.14842	2.6
191.10678	1.9
197.13277	1.6
199.13268	1.8
209.11723	2.8
213.83961	1.5
227.12721	2.8
229.14328	6.2
243.21268	1.5
259.20526	1.8
261.22070	5.6
267.15930	2.4
283.15561	2.1
304.57648	1.1
335.25891	8.2
369.24548	2.7
387.25388	2.0
489.35782	57.8
490.35919	2.1
543.36829	3.2
561.38116	2.2
705.40973	1.8
723.40564	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.01880	3.1
55.05516	24.5
57.03440	6.7
57.07076	2.4
59.05005	2.8
61.02939	1.6
62.37225	0.9
65.03946	5.8
67.05511	100.0
68.05848	1.1
69.03435	11.2
69.07073	13.4
71.01347	1.4
71.04998	5.3
79.05499	36.9
81.03432	15.1
81.07065	45.0
83.04973	5.9
83.08635	8.3
85.02917	9.4
85.06558	2.6
86.09731	1.7
87.04488	2.4
91.05488	27.8
93.07051	36.0
95.04975	8.3
95.08617	25.8
97.02911	7.7
97.06546	3.7
97.10183	9.8
99.04479	3.5
99.08127	0.9
103.03928	1.0
105.04572	1.7
105.07038	18.5
105.07681	1.6
107.04954	3.3
107.08605	20.0
109.02881	4.1
109.06544	3.9
109.10171	51.7
110.10577	1.4
111.04478	2.4
111.08105	3.4
115.03899	1.0
115.05457	1.3
116.71484	1.0
117.07032	9.2
119.08582	17.4
121.06573	2.1
121.10152	16.0
123.04416	1.4
123.08116	2.1
123.11720	3.7
125.00080	1.5
125.05957	0.8
125.09662	7.5
127.03926	4.2
127.11181	0.9
128.06224	2.0
129.05492	1.6
129.07031	4.7
131.08585	11.7
133.06580	1.0
133.10155	8.4
135.08116	1.5
135.11700	9.6
137.06056	1.6
137.09653	3.4
139.11220	1.6
141.07062	2.2
143.08589	3.4
145.05045	1.0
145.06456	1.4
145.10133	9.6
147.08031	1.2
147.11705	7.0
149.09663	2.5
149.13306	3.7
153.12701	1.2
155.08598	1.9
155.10686	2.9
157.10172	3.7
159.11758	4.8
161.09663	1.4
161.13280	3.3
163.11244	4.0
169.10126	1.4
171.11690	2.4
172.86285	1.0
173.04520	1.4
173.09602	1.8
173.11765	15.2
173.13321	4.2
175.11247	0.9
175.14865	1.1
181.10310	0.8
181.12271	2.2
183.11743	1.2
184.07343	4.4
185.09607	1.0
185.13258	2.3
187.14868	1.3
191.10747	1.5
193.12334	1.3
197.13301	2.4
199.13310	2.5
201.12747	1.3
209.11708	4.2
223.14847	0.9
227.12788	3.3
229.14371	6.0
243.21075	1.7
257.13824	1.0
261.22171	4.6
267.15912	1.3
271.20676	1.1
283.15482	2.5
291.23447	0.9
301.21664	1.5
317.24622	1.1
335.25757	6.6
351.23145	1.8
369.24231	3.6
387.25363	1.7
405.26617	1.1
443.27304	1.3
461.29102	1.2
479.30008	1.6
489.35779	56.1
490.36151	2.4
543.36993	3.4
561.37689	2.5
687.40625	1.2
705.41956	1.7
723.42706	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	724.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01857	4.1
55.05262	1.2
55.05508	13.4
57.03434	14.2
59.04982	1.5
61.02929	1.3
65.32761	0.9
67.05180	1.4
67.05508	20.6
67.69541	1.2
69.03419	3.7
69.07082	5.3
71.04976	3.3
76.15110	0.9
79.05492	21.7
81.03418	93.0
81.07056	20.2
83.04981	8.9
83.08624	24.3
85.02911	13.4
85.06554	2.0
91.05486	28.2
93.07048	15.4
95.04971	29.0
95.08598	7.5
97.02876	2.6
97.06522	2.7
97.10165	6.6
98.21506	3.0
105.07024	17.7
107.04963	8.0
107.08589	6.3
109.06513	4.3
109.10166	4.6
111.04416	2.5
111.08092	9.1
113.05999	1.6
115.05440	1.1
117.07020	3.6
119.04910	1.3
119.07796	1.4
119.08580	16.5
121.06509	4.4
121.10147	6.6
123.08009	2.0
123.11697	0.9
125.09615	3.7
127.07498	1.0
128.06219	1.2
129.06999	13.0
131.04953	1.4
131.08559	13.2
133.06459	4.9
133.10129	7.4
135.08043	1.3
135.11690	1.1
137.09610	2.1
142.07787	3.2
143.08557	1.5
145.05453	1.2
145.06451	5.5
145.10092	3.0
147.08034	4.1
147.11707	10.8
148.97104	0.9
149.09627	6.3
153.09151	0.9
155.08546	1.4
157.10130	13.6
159.08069	1.7
159.11655	1.2
163.11115	1.2
165.12766	2.4
171.08018	1.2
175.11188	13.7
185.13272	1.2
193.12238	34.4
211.11259	1.7
211.13255	15.8
227.12640	1.3
229.14375	2.0
233.15591	0.9
237.12732	1.5
249.14813	2.6
255.13867	2.0
267.15912	100.0
268.16293	1.9
273.14883	5.2
285.17023	14.3
341.21121	0.9
349.21542	3.1
357.83517	1.0
367.22675	11.0
385.23688	10.8
388.95889	1.1
403.24591	2.8
405.24319	1.0
433.25864	13.1
441.26056	7.3
459.27411	64.8
460.27667	2.7
477.28479	41.3
477.35522	1.7
478.28882	1.7
480.31638	1.1
585.30231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.6
55.01891	2.5
55.05511	20.8
57.03441	19.9
57.07074	2.3
61.02924	5.4
65.03936	2.9
67.05505	61.9
69.03431	4.8
69.07073	13.5
69.68069	7.9
71.04993	2.8
73.02947	1.5
73.62627	1.2
79.05494	48.2
81.03419	93.9
81.06578	3.0
81.07059	60.8
83.04977	4.9
83.08620	22.8
85.02908	4.7
85.06548	2.3
91.05480	38.2
93.07044	46.9
95.04974	28.7
95.08611	43.0
97.02905	3.5
97.06528	6.1
97.10176	5.8
101.08064	1.3
105.04503	2.0
105.07028	28.1
107.04950	6.8
107.08597	24.8
109.06534	6.2
109.10159	19.7
111.08079	6.7
115.05460	3.0
116.63595	1.4
117.07059	7.6
119.08580	24.6
121.06504	4.2
121.10136	26.1
123.04452	2.7
123.08060	3.6
123.11704	7.7
125.09645	3.8
128.06223	1.7
129.06990	9.5
131.08568	19.8
133.06514	3.4
133.10144	15.0
135.08089	2.1
135.11697	15.0
137.09621	3.2
137.13301	2.3
142.07770	1.9
145.06517	1.5
145.10117	10.3
147.08128	3.0
147.11711	11.8
149.09637	5.3
149.13257	8.1
157.10135	10.3
159.11719	6.4
161.13274	3.6
163.11191	2.6
163.14844	3.4
165.12772	2.1
173.13275	6.4
175.11197	8.1
175.14856	2.5
187.14850	3.2
189.11223	2.5
193.12233	22.1
201.16389	2.8
209.67719	1.6
227.12801	5.3
235.13295	2.2
235.40508	1.8
243.21124	4.5
249.14999	1.9
258.08942	1.6
261.22147	21.4
267.15915	100.0
287.20032	1.5
301.14413	2.5
301.25229	7.3
309.17105	3.9
317.24802	3.7
333.42407	1.6
335.25797	92.0
336.26248	2.9
435.32599	2.9
453.33444	5.0
471.34427	3.7
527.37335	44.3
528.37732	1.7
545.38361	18.1
569.38092	4.6
694.39008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.6
55.01876	0.9
55.05518	2.3
57.03441	1.8
59.05025	0.9
61.02936	3.8
67.05511	6.0
69.03441	2.4
69.07069	1.1
70.04453	1.6
70.04879	3.9
71.05011	2.9
73.02931	3.3
79.05515	6.7
79.19324	0.7
79.20403	0.8
81.03436	4.7
81.07078	6.4
83.04986	1.2
83.08616	1.4
85.02933	4.8
85.06559	1.2
87.04480	1.1
88.62295	1.0
91.03969	2.1
91.05507	6.5
93.07068	5.2
95.04980	3.8
95.08636	2.6
97.02914	4.1
97.06498	1.3
98.21477	1.8
101.02416	2.2
101.53775	1.0
105.07079	4.0
107.08618	3.0
109.02981	1.1
109.10212	1.4
117.07054	0.9
119.04995	1.1
119.08597	2.8
121.10207	1.9
129.07074	1.3
133.10194	1.9
145.10226	0.9
147.04454	2.5
147.11771	2.8
149.09694	1.6
157.10193	1.5
163.04005	1.1
170.71800	0.9
171.11737	0.9
175.11264	0.9
193.12303	1.4
243.08647	2.8
267.16321	0.9
283.15356	3.0
339.17902	1.4
465.20920	10.4
501.23230	10.0
725.37274	100.0
726.37390	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	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.05521	16.6
57.03449	11.3
57.07084	4.2
61.02929	4.7
65.03937	2.3
67.05512	70.6
69.03436	2.9
69.07075	23.7
69.70601	1.5
70.05830	1.3
71.05006	4.0
71.08637	1.9
73.02920	3.1
79.05500	43.4
81.03436	4.8
81.07063	75.5
83.05007	4.2
83.08629	12.3
85.02924	5.5
85.06567	3.1
91.03967	1.4
91.05486	24.0
91.06004	1.7
93.07049	60.9
95.04984	5.0
95.08618	38.7
97.02937	2.7
97.06537	7.2
97.10188	3.4
98.21520	3.0
99.08109	3.8
105.07045	13.6
107.04945	1.7
107.08610	28.4
107.09297	2.1
109.06522	1.5
109.10172	13.7
111.08118	5.1
117.07042	7.6
119.08581	7.9
121.10143	23.4
123.11732	4.7
125.09637	1.9
131.08588	11.6
133.10139	10.1
134.34082	1.4
135.08142	1.3
135.11713	9.8
139.11153	1.8
141.94830	1.2
141.97258	1.2
145.10103	6.0
147.11682	6.3
149.13269	25.6
149.14360	1.7
151.11215	1.3
159.11702	11.0
161.13287	3.2
165.12787	1.4
170.96271	1.3
173.13222	1.7
177.12851	2.4
195.13808	7.3
229.14508	1.9
243.21129	2.4
261.22153	8.0
267.16071	2.1
269.17499	71.3
270.17981	1.6
293.21304	3.5
317.24924	3.7
335.25803	55.0
336.26041	2.2
422.55667	1.3
446.81406	1.3
455.35684	1.8
469.52518	1.3
470.21063	1.6
476.56827	1.5
498.31061	2.2
529.38959	100.0
530.38983	6.1
537.38092	1.6
547.40558	2.4
724.03699	1.4
726.44928	49.0
727.44861	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	727.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.5
55.01883	0.4
55.05512	0.9
57.03446	2.4
59.05007	0.6
61.02931	4.2
67.05505	2.8
69.03436	2.1
69.66245	2.4
71.05000	1.4
73.02920	3.3
79.05504	3.5
81.03419	4.8
81.07063	2.3
83.01372	0.5
83.04987	1.0
83.08614	0.8
85.02904	5.0
87.04475	0.5
91.03970	2.5
91.05508	2.5
93.07062	2.0
95.04979	1.5
95.08620	0.9
97.02908	3.8
97.06557	1.4
99.04472	1.0
101.02409	1.8
105.07050	1.6
107.05026	0.6
107.08617	1.3
109.02860	1.0
109.06500	0.9
109.10165	0.4
111.08109	0.8
115.55639	0.4
117.07048	0.7
119.08611	1.3
121.10147	2.4
123.08058	0.9
127.03967	1.3
129.07018	0.8
131.08586	1.6
133.10161	1.1
135.11679	0.9
145.04976	0.5
145.10135	1.0
147.04556	0.5
147.11691	1.5
149.09677	1.8
157.10204	1.3
163.11227	1.9
185.04288	0.7
193.12318	1.6
213.48055	0.5
221.77333	0.4
223.13304	0.4
225.14803	0.8
233.11438	0.4
243.08432	2.2
244.36397	0.4
249.11028	0.6
267.16034	0.7
283.15253	3.0
339.17950	1.0
393.01151	0.4
467.18930	8.4
469.21265	0.6
494.36685	0.5
501.23093	9.9
502.23193	0.4
701.34393	0.5
727.35150	100.0
728.35742	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	728.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01871	5.6
55.05516	15.1
57.03434	11.0
59.71599	1.8
61.02932	2.3
61.19036	1.8
61.38459	1.8
65.03929	3.0
67.05508	19.6
69.03426	6.0
69.07077	9.4
69.61806	11.0
69.67915	2.2
70.06589	8.9
71.04984	7.7
79.05499	32.4
79.85912	1.9
81.03421	47.0
81.07055	20.0
83.04980	6.4
83.08605	12.8
85.02907	8.5
86.09714	2.6
89.03917	2.7
91.05488	21.1
93.07049	29.8
95.04984	26.5
95.08608	12.6
97.02878	2.5
97.06534	18.4
97.10195	11.5
98.20895	3.1
99.04489	2.6
103.05492	1.8
105.07034	14.6
107.04966	22.7
107.08602	15.0
109.02900	3.0
109.06537	26.1
109.10174	7.2
111.04453	2.4
111.08118	4.4
117.03338	3.0
117.07004	6.4
119.04935	3.2
119.08593	15.0
121.06509	19.0
121.10155	18.1
123.08078	8.7
123.11745	2.6
125.09641	10.4
127.03955	9.0
129.07011	8.9
131.04932	2.9
131.08580	17.1
133.06520	4.4
133.10138	8.9
135.04396	7.9
135.08081	11.7
135.11707	3.0
137.09621	2.5
139.11201	4.6
141.07118	2.3
142.07863	2.3
145.02853	5.8
145.04984	2.3
145.06512	5.4
145.10149	6.3
147.04491	4.1
147.08002	4.4
147.11668	6.1
149.09647	7.1
151.03835	2.9
153.09100	2.6
155.08496	2.3
157.10152	9.1
161.13156	2.2
163.03917	43.9
163.07533	2.9
163.11215	4.5
164.04163	2.1
173.02371	4.1
173.09578	2.7
173.13202	4.6
175.11209	6.3
183.33662	2.1
189.11165	3.2
191.14301	6.3
193.12219	10.5
201.12859	1.9
215.07088	5.8
219.13808	34.8
233.15465	2.2
253.07231	2.4
259.09695	10.0
259.15414	26.1
267.15927	45.0
273.14856	5.5
275.16037	2.1
293.17453	17.2
319.23938	2.2
323.08865	2.5
339.09027	2.6
349.21582	3.3
367.22720	11.5
385.23752	21.7
402.91791	2.3
403.24756	10.1
433.25699	4.9
441.26337	4.5
451.26764	15.2
459.27414	88.9
460.27325	3.3
477.28513	100.0
478.28876	4.8
479.09518	3.8
480.09988	8.8
495.29553	19.1
567.29187	2.5
710.39679	3.5
728.40179	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	728.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69879	0.9
53.03945	2.2
55.01868	5.3
55.05516	10.4
55.85210	0.9
57.03444	7.0
57.07071	1.7
59.06126	1.3
60.05650	1.9
61.02926	2.3
65.03928	3.2
67.05509	47.0
69.03440	2.2
69.07074	12.2
71.04987	5.0
71.55608	1.6
73.02920	1.1
76.87507	1.0
79.05501	23.8
81.03426	3.5
81.07062	46.0
83.04998	5.4
83.08620	4.0
85.02911	2.8
85.06545	3.9
91.05485	36.4
93.07051	28.1
95.04980	6.4
95.08618	16.3
97.02879	1.4
97.06524	4.7
97.10144	2.0
99.04481	1.7
101.06014	1.2
105.07034	25.7
107.04984	1.7
107.08605	27.2
109.06530	4.1
109.10164	47.4
111.11764	1.2
113.06031	2.4
117.07037	2.9
119.08583	8.1
121.10152	6.8
123.08064	1.3
123.11710	8.4
127.07597	2.3
131.08577	4.7
133.10146	51.6
135.08145	1.0
135.11702	6.5
137.09604	1.1
137.13348	0.9
145.10164	3.9
147.11703	3.0
149.13280	3.8
151.11188	23.1
159.11726	2.0
161.09660	2.1
161.13277	1.7
163.11206	1.1
169.12245	3.0
173.13260	2.2
179.10692	1.3
181.56320	0.9
184.07373	1.7
187.14922	1.1
197.11630	1.2
215.12813	2.8
243.21117	3.4
253.14375	100.0
254.14722	1.6
261.22177	12.3
271.15424	33.0
317.24738	2.3
326.68378	1.0
335.25821	33.0
457.33127	1.5
458.50296	1.0
513.35895	7.8
531.36841	34.9
532.36768	1.2
549.37610	1.2
568.19586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01875	4.4
55.05518	10.2
57.03442	8.6
57.07065	1.2
59.06109	0.9
61.02946	1.2
62.61863	0.8
65.03952	1.7
67.05511	46.1
69.03433	3.3
69.07076	11.0
69.49852	6.5
71.04993	3.4
72.47064	0.9
73.02934	1.3
73.12315	0.8
74.92991	0.9
79.05503	25.1
81.03423	4.0
81.07065	41.1
83.04983	6.3
83.08616	5.4
85.02913	1.9
85.06552	4.0
86.09723	0.9
91.05490	28.8
93.07055	28.0
95.04989	5.3
95.08614	19.2
97.02917	1.0
97.06552	3.5
97.10172	2.0
99.04479	1.5
99.08150	1.1
105.07035	26.9
107.04904	1.0
107.07874	1.7
107.08602	27.5
109.06514	4.1
109.10166	45.2
109.10928	2.1
110.26627	0.9
113.06010	2.7
117.07027	2.6
119.08573	5.8
121.10155	8.8
123.08046	1.3
123.11722	7.2
127.07607	1.7
128.06308	0.8
131.08588	5.8
133.10143	48.2
135.08095	1.2
135.11668	5.4
137.09644	1.0
140.48416	1.0
145.10143	2.2
147.11685	2.2
149.13284	3.7
151.11198	23.7
153.12827	1.0
159.11674	2.5
161.09616	1.4
161.13260	2.5
169.12273	4.1
173.13242	2.1
179.10684	1.8
182.49774	0.8
184.07396	2.4
187.14865	1.0
215.12801	1.7
215.91718	0.9
243.21135	2.6
253.14384	100.0
254.14755	2.5
261.22165	12.2
271.15439	31.1
279.23260	1.1
317.24924	1.8
335.25827	53.1
336.26273	1.5
342.89441	1.1
434.42792	1.0
435.98508	1.0
439.32150	1.9
457.33322	1.6
513.35687	6.7
531.36890	49.1
532.37091	1.8
651.24219	1.1
671.69281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35870	2.7
53.03944	5.7
55.05508	24.7
57.03432	12.3
59.04976	3.2
59.28842	2.5
61.02922	3.0
65.03942	4.5
67.05177	4.9
67.05512	77.8
67.05867	5.1
69.03411	4.9
69.07071	16.8
71.04979	5.8
71.55463	4.3
79.05505	40.7
80.64059	2.8
81.07064	73.7
83.04967	6.4
83.08615	16.0
85.02892	7.3
90.91056	2.5
91.05476	24.8
93.06554	4.5
93.07056	46.6
95.04998	4.2
95.08614	57.6
97.02901	4.0
97.06538	7.1
97.10191	7.6
99.08064	5.3
105.07035	23.9
107.08604	25.9
109.10159	31.3
111.08073	4.6
117.07012	5.3
119.08578	17.6
121.10159	16.3
123.08033	4.0
123.11713	8.4
131.08568	7.6
133.10126	16.3
135.11681	10.8
137.09608	5.7
143.08604	3.9
145.10120	7.1
147.11763	7.0
149.13258	6.5
151.11174	8.7
159.11771	2.7
161.13225	14.9
163.14777	4.3
166.99646	2.6
173.13261	3.5
179.14272	7.0
215.12827	6.8
229.14256	3.5
243.21074	6.4
253.18158	13.2
261.22119	24.8
267.15833	2.7
271.15402	45.6
271.18988	20.2
273.47931	3.3
317.24222	3.0
335.25787	100.0
531.39923	23.7
642.79773	3.1
729.41687	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	729.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
51.95038	0.8
53.03955	1.6
53.08121	0.7
55.01859	1.3
57.03436	1.1
57.24791	0.8
65.03949	14.0
67.05512	2.1
69.03429	2.6
70.71133	0.9
70.71445	1.6
78.04711	1.8
79.05518	4.5
81.03397	1.1
82.04210	2.4
85.02908	3.7
91.05485	6.7
93.03419	8.8
94.89928	0.8
95.01321	1.9
95.04971	2.2
97.02897	1.3
103.05484	2.9
105.04541	1.0
105.07037	5.3
106.04179	1.1
107.04982	6.1
109.02911	1.4
110.03674	12.9
111.04462	11.1
115.05453	4.7
117.07018	1.0
118.04183	1.4
119.04966	5.4
119.08566	2.0
121.06491	1.6
122.03672	0.9
123.04449	4.2
124.05226	1.7
125.06001	14.3
127.03903	1.0
128.06221	2.2
129.07028	4.8
130.04170	0.9
131.04919	4.2
132.05753	1.3
133.02890	2.8
133.06543	3.3
135.04420	1.5
137.06001	8.2
138.03119	1.4
141.06931	0.8
144.05717	1.3
145.04877	0.9
145.06454	1.6
147.04424	7.2
147.08055	2.3
149.06017	1.5
151.03885	1.4
151.07573	1.9
152.04706	1.1
153.05484	65.7
155.04941	0.8
157.06590	1.0
159.08043	6.6
160.05185	1.0
161.06023	5.8
162.06792	1.2
163.03920	3.6
163.07556	1.3
165.05490	0.8
165.07042	1.4
167.07065	41.8
171.04393	1.6
171.08072	0.8
172.05235	2.1
175.07605	9.9
177.05486	2.0
178.07806	2.3
179.07091	4.3
181.06500	1.3
183.04317	0.9
183.08098	0.8
184.05186	1.0
185.05965	1.7
186.06810	3.1
187.07574	12.0
189.05486	4.4
189.07085	2.0
189.09030	1.0
190.07768	4.2
191.07007	4.3
191.08620	5.0
193.06596	0.8
199.07607	5.0
202.07741	4.9
203.08667	3.9
204.09383	1.3
205.06544	3.4
205.10231	1.0
206.07283	2.5
207.06464	1.3
207.08099	2.1
208.08922	0.9
214.06253	1.1
215.07045	2.3
216.07785	8.9
217.06541	1.2
217.08659	0.9
218.07207	5.4
219.08069	11.3
220.08778	4.5
221.06033	2.7
221.09576	4.2
222.06741	1.2
223.07478	1.5
224.04605	0.8
228.13022	0.8
229.06734	0.8
229.08664	6.6
230.07307	0.9
231.08025	3.8
232.08745	1.4
233.06018	2.0
233.09752	3.8
234.06781	4.5
235.07533	6.3
236.08400	5.9
237.09111	3.1
239.07108	1.3
243.07980	0.9
244.08760	0.7
245.06012	1.9
245.09514	1.0
246.06842	3.0
247.07591	5.7
248.08362	5.9
249.05519	1.3
249.09129	7.4
250.06326	2.0
250.10019	1.8
251.07014	2.6
251.10745	11.7
252.07928	1.1
253.08818	0.8
258.06897	1.7
259.07617	2.7
260.08304	1.6
261.05551	2.9
261.09213	4.2
262.06332	1.8
262.09860	1.6
263.06992	4.0
263.10663	2.2
264.07797	11.8
265.08606	11.5
266.09354	0.9
274.06396	0.9
275.07205	4.4
276.07855	10.1
277.08542	8.0
278.06247	0.8
278.09424	4.2
279.07254	1.2
279.10211	7.5
280.07751	1.0
280.10886	1.2
281.08551	1.5
281.11771	5.2
287.07236	1.0
288.07803	1.9
289.08548	3.8
290.09479	1.7
291.06766	1.6
291.10172	4.6
292.07303	2.6
292.10641	1.3
293.08109	6.3
293.11649	2.5
294.08884	2.4
295.09714	1.4
301.08487	1.0
304.07513	2.2
305.08191	2.4
306.08829	2.4
307.09689	35.9
308.10397	7.4
309.11197	5.6
310.12216	0.9
311.12793	1.8
318.08984	1.0
319.09631	10.2
320.10342	1.7
321.11151	5.4
322.12039	1.1
323.12750	6.2
324.09851	1.6
325.14462	1.4
336.10025	1.4
336.13608	1.1
337.10788	2.5
338.11923	1.0
339.12314	100.0
340.12692	3.4
341.13901	9.5
351.12320	32.4
352.12869	2.3
353.13950	4.3
357.13782	0.9
369.13394	1.5
499.17703	1.2
619.72699	0.9
656.85474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81186	0.7
53.03938	1.7
55.01862	1.3
57.03396	0.9
61.02888	1.0
65.03944	12.4
67.05501	2.6
69.03426	2.9
71.24841	1.9
72.24797	0.9
78.04689	2.1
79.05491	4.9
81.03417	2.0
82.04189	2.6
85.02912	4.7
89.03929	1.6
91.05499	7.6
93.03413	9.5
94.04198	0.9
95.01331	2.1
95.04956	2.8
97.06513	1.3
99.04436	1.2
103.05469	3.6
105.03380	1.1
105.07050	7.5
106.04213	1.5
107.04955	7.1
108.02106	1.4
109.02880	1.1
110.03667	13.5
111.04449	14.3
115.05444	5.4
117.07021	1.4
118.04160	2.3
119.04951	6.7
119.08516	1.2
121.02877	1.0
121.06542	1.7
122.03671	1.4
123.04443	4.6
124.05209	2.4
125.06005	17.0
128.06238	2.2
129.06978	5.1
130.04147	1.1
131.04974	4.3
132.05679	3.0
133.02837	2.7
133.06508	4.6
134.03673	1.0
135.04404	1.7
136.05254	1.0
137.02379	0.9
137.05992	8.3
138.03120	1.6
141.06999	1.1
144.05724	1.7
145.02914	1.0
145.06491	1.6
146.03584	1.2
147.04413	9.0
147.08002	1.7
149.05983	1.6
151.07486	1.8
152.04713	1.2
153.05476	73.3
155.06992	1.1
159.08046	4.8
160.05154	1.6
161.05965	7.7
161.09610	0.9
163.03925	4.9
163.07501	1.5
165.05510	1.2
165.06897	2.0
167.07051	49.4
169.06511	1.0
171.04407	1.9
171.08098	1.0
172.05182	2.3
173.05991	1.2
175.07549	11.2
176.04707	1.0
177.05492	1.6
178.07756	2.5
179.07022	5.8
179.08452	1.5
184.05215	1.0
185.06020	1.9
186.06776	3.1
187.07533	12.6
189.05461	4.3
189.07016	3.0
189.09142	1.0
190.07793	3.8
191.07005	3.8
191.08566	4.9
193.10135	1.4
194.07303	1.4
199.07576	5.4
202.07803	3.2
203.08589	5.0
205.06461	2.5
205.10130	1.0
206.07253	2.8
207.06409	1.4
207.08112	2.0
208.08730	1.4
209.08057	1.5
214.06230	1.1
215.06900	2.2
215.08691	1.4
216.07787	8.8
217.06598	1.7
217.08498	1.2
218.07248	5.3
219.08049	11.3
220.08829	5.3
221.05949	2.9
221.09641	4.1
222.06676	1.3
223.07460	1.4
229.08621	7.3
230.07228	1.4
231.08026	4.4
232.08813	2.5
233.05988	4.2
233.09512	4.4
234.06764	4.2
235.03355	0.8
235.07536	6.9
236.08292	6.7
237.09082	3.5
239.06935	1.5
245.06064	1.3
245.09770	0.9
246.06833	3.9
247.07600	7.4
248.08340	6.3
249.05455	1.8
249.09117	9.4
250.06200	1.8
250.09827	2.7
251.07040	2.4
251.10696	12.7
253.08713	1.6
259.07510	3.2
260.08295	2.8
261.05481	3.5
261.09079	5.5
262.06332	3.0
262.09921	1.8
263.07025	4.9
263.10684	2.6
264.07861	10.0
265.08566	13.4
266.09354	1.2
275.07101	4.3
276.07791	8.5
277.08597	8.7
277.28247	1.0
278.09454	6.7
279.06879	1.4
279.10120	9.5
280.11002	1.3
281.08267	1.9
281.11707	6.0
283.09665	1.0
287.07126	0.9
288.07794	2.3
289.08582	5.4
290.09375	2.2
291.06827	1.4
291.10150	5.1
292.07208	2.7
292.10693	1.7
293.08051	7.5
293.11435	1.7
294.08707	1.8
295.09637	2.1
295.13037	1.0
303.10095	0.9
304.07373	3.8
305.08038	3.1
306.08939	2.0
307.09650	39.9
308.10471	9.6
309.07962	1.4
309.11209	6.7
311.12723	2.3
319.09625	11.5
320.10388	1.6
321.07706	1.4
321.11179	5.6
323.12781	7.9
324.09872	1.6
336.09805	1.5
337.10718	1.8
339.12289	100.0
340.12601	2.9
341.13901	13.8
351.12305	37.2
352.12674	1.7
353.13965	5.7
369.13239	1.6
398.90149	0.9
499.17599	2.2
520.42755	1.0
575.17841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.9
53.03939	1.7
65.03948	11.6
67.05488	1.9
69.03423	2.6
70.14408	4.7
71.04996	1.2
78.04716	2.4
79.05493	6.0
81.03419	2.3
81.07092	1.2
82.04192	1.6
85.02912	4.5
85.25945	0.9
91.05489	6.0
93.03400	8.0
93.07037	1.0
95.01353	2.5
95.04988	2.6
97.02860	1.4
97.06514	2.2
102.78240	0.9
103.05455	2.0
105.07048	4.8
107.04952	5.0
108.02106	1.2
109.02853	1.6
110.03673	11.5
111.04443	13.7
115.05470	4.0
119.04945	5.7
119.08547	1.3
121.06521	1.6
123.04446	3.7
125.05991	14.6
125.06870	1.5
127.03939	1.3
128.06264	1.2
129.06990	4.1
130.04146	1.1
131.04950	4.4
132.05664	1.6
133.02858	2.7
133.06487	4.2
135.04408	2.6
137.05989	10.2
138.03104	1.7
141.06956	1.4
145.06451	2.1
147.04390	8.4
147.08070	1.4
149.05923	1.6
151.03984	1.7
151.07506	1.6
153.05472	71.8
159.08000	6.4
160.05222	1.3
161.06018	5.8
163.03922	5.3
163.07626	1.5
167.07054	39.9
169.06381	1.0
172.05183	2.2
174.03059	1.1
175.07542	9.5
177.05524	2.6
178.07796	2.1
179.07030	4.4
179.08423	1.2
185.06013	2.6
186.06749	2.5
187.07576	9.9
189.05475	4.0
189.07024	3.0
190.07797	3.1
190.42145	1.1
191.06995	4.6
191.08595	3.6
193.06548	1.4
198.06837	1.3
199.07558	4.5
202.07751	2.5
203.08586	3.9
205.06519	3.5
206.07336	4.0
207.06488	2.3
207.08235	2.2
208.08832	1.3
209.09596	1.5
214.06277	1.4
215.06921	1.8
215.08699	1.9
216.07834	8.6
217.06599	1.3
218.07231	4.9
219.08096	8.6
220.08858	5.6
221.06023	1.7
221.09628	4.0
223.07639	2.1
229.08563	7.8
231.08112	5.6
232.08830	2.0
233.05980	3.8
233.09656	3.6
234.06747	4.1
235.07544	9.0
235.10887	1.0
236.04823	1.1
236.08328	6.0
237.09174	2.6
245.05991	2.3
246.06786	2.0
247.07553	8.1
248.08232	5.4
249.05568	1.8
249.09070	6.9
250.06276	1.9
251.06932	2.4
251.10686	12.9
253.08655	1.8
259.07474	2.0
260.08478	1.6
261.05423	1.3
261.09027	5.9
263.07062	4.3
263.10657	2.6
264.07788	10.7
265.08664	13.4
266.09250	2.2
275.07104	3.8
276.07782	10.1
277.08591	7.2
278.09406	4.3
279.07129	1.5
279.10095	7.4
280.07504	1.3
280.10880	1.3
281.08456	1.7
281.11798	4.0
288.07828	1.2
289.08673	3.8
291.06824	1.3
291.10242	4.3
292.07361	2.9
292.10831	1.5
293.08109	6.7
293.11566	2.2
294.08865	2.4
295.09610	1.8
298.11795	1.1
304.07111	2.7
305.08258	2.4
306.08762	2.1
307.09668	36.2
308.10394	9.0
309.11029	6.5
311.12796	2.5
319.09778	8.3
320.10220	1.8
321.11075	5.7
323.12701	7.6
324.10129	2.4
337.10538	2.3
338.11429	1.7
339.12280	100.0
340.12720	3.5
341.13849	11.0
351.12302	33.8
352.13013	2.6
353.13977	5.3
369.13416	2.2
399.09198	1.1
498.23514	1.3
499.17764	2.2
567.14612	1.8
729.22571	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77027	0.4
53.03945	0.7
55.01866	0.5
55.05503	1.0
55.17991	0.3
57.03434	1.9
59.05001	1.0
61.02689	0.5
61.02929	4.5
67.05508	2.1
69.03423	2.9
69.07063	1.3
69.27302	2.8
69.27728	1.1
71.04991	1.6
73.02923	3.1
79.05486	3.0
83.04961	1.0
83.08620	1.4
85.02902	5.6
87.04472	0.4
91.03963	2.4
91.05478	3.8
93.07033	2.4
95.04966	1.9
95.08606	0.9
97.02899	4.3
97.06537	0.8
98.20718	0.8
99.04439	0.7
99.08098	0.4
99.22649	0.4
101.02388	1.7
105.07051	2.3
107.04985	0.6
107.08575	1.5
109.06482	0.5
109.10216	0.5
111.08066	0.7
113.06039	0.4
118.71593	0.4
119.08570	2.3
121.10163	1.5
123.57699	0.3
127.03923	1.1
129.06992	1.3
129.40390	0.3
130.90071	0.4
131.08543	1.9
133.10156	1.8
141.99001	0.4
144.42447	0.4
147.11679	1.8
149.09610	2.1
155.08467	0.4
157.10156	1.7
164.57791	0.3
175.11250	1.0
193.12227	2.5
211.13324	0.5
225.14966	0.7
243.08365	2.1
251.12544	1.0
267.15887	0.7
283.15164	4.0
307.15179	1.0
339.17822	0.6
469.20416	8.5
470.21692	0.4
501.23096	10.2
729.36639	100.0
730.36975	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	729.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01863	0.8
55.05513	1.6
55.47896	0.7
57.03435	2.1
57.43085	0.6
58.71885	0.7
61.02929	6.1
67.05511	5.4
69.03445	3.9
69.07072	1.5
71.04996	0.7
71.55492	1.1
73.02915	4.5
77.94469	0.7
79.05479	3.3
83.08619	1.9
85.02911	6.1
91.03985	3.3
91.05491	1.8
93.07064	3.2
95.05006	2.2
95.08608	4.0
97.02885	5.1
101.02388	1.9
105.07052	1.9
107.08630	2.1
109.02892	1.6
109.10180	2.6
111.08141	0.8
119.08614	1.1
121.10190	1.4
127.03870	1.3
129.07048	1.0
131.08588	1.0
133.10213	0.8
164.90622	0.7
193.12282	1.9
195.00389	1.2
205.71597	0.7
230.56821	0.7
243.08401	1.1
267.15970	0.9
451.19501	7.5
460.75500	0.7
468.37897	0.7
519.29272	7.4
703.43073	0.7
729.41858	100.0
730.42212	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.4
56.86886	1.0
57.07079	27.2
62.32937	1.0
67.05515	7.7
69.07073	8.6
71.08636	27.3
71.55800	1.4
73.06564	11.6
79.05479	1.4
81.03432	1.1
81.07047	4.4
83.08618	8.1
85.09726	1.6
85.10191	20.9
87.04086	0.9
87.04484	10.0
89.06038	100.0
91.05480	1.9
91.07497	0.9
93.07041	1.8
95.08589	3.8
97.06570	1.5
97.10164	7.4
99.11719	2.6
107.07067	3.0
107.08595	1.0
109.10118	4.2
111.11713	3.1
113.13301	1.3
117.09108	7.7
121.10155	1.0
123.11735	1.2
125.13303	1.6
127.14818	1.9
130.08643	1.8
131.07042	2.7
133.08612	53.9
134.98167	1.1
155.17905	1.2
161.11725	2.9
175.09673	3.1
177.11237	20.0
211.24286	2.2
221.13884	4.1
229.14352	2.2
239.14922	1.3
239.43721	1.0
255.26764	1.9
299.29633	5.2
329.11102	1.3
343.32080	3.7
503.30029	1.8
509.37674	1.8
558.32922	1.1
713.54266	2.5
730.41956	2.7
730.55896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05496	1.5
56.96565	0.9
57.03425	2.5
57.07073	0.7
59.05002	1.3
61.02930	7.3
67.05504	8.1
69.03436	4.8
69.07066	1.4
71.04980	1.8
73.02567	0.8
73.02916	5.1
78.37576	0.6
79.05483	2.9
80.56072	0.7
81.03423	5.6
81.07053	6.2
83.04979	1.0
83.08618	1.7
84.04492	0.9
85.02911	8.9
91.03963	4.5
91.05481	4.2
93.07025	3.5
95.04967	1.9
95.08612	2.0
97.02896	6.8
97.06512	1.8
99.04451	1.9
101.02374	2.5
103.03960	1.0
105.07043	2.7
107.04953	1.4
107.08577	1.6
109.02887	2.1
109.06517	0.9
109.10160	6.3
111.04456	0.6
111.08075	1.4
119.08588	3.1
121.10158	2.2
127.03951	3.2
131.08586	0.9
133.10167	0.8
135.11697	1.3
137.06012	1.0
137.09613	0.8
145.04854	0.7
145.10204	0.9
146.72812	0.6
147.04411	1.5
147.07957	0.7
147.11713	2.0
149.09630	0.8
157.10123	1.0
163.03911	2.1
173.11777	1.6
175.11162	1.1
185.04224	1.7
193.12218	2.5
195.09904	1.4
203.05457	0.6
211.13367	1.5
229.14380	1.6
243.08336	3.4
251.12589	2.7
267.09100	1.3
267.16119	0.7
285.10187	1.8
286.10596	0.9
287.05450	0.8
301.08911	1.4
324.11380	0.8
385.18365	1.3
413.17871	11.3
439.19116	0.8
443.18649	1.5
445.18909	0.9
469.20563	12.4
485.19794	1.8
487.21707	1.7
501.22882	1.3
503.20718	0.8
641.31427	100.0
642.31976	3.4
659.31842	1.1
667.32678	1.5
687.32050	0.9
710.73242	1.1
713.33240	4.6
731.34070	54.0
732.34039	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	731.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.05516	1.8
57.03443	2.3
58.92173	0.7
59.06147	0.8
61.02936	4.9
64.17473	0.6
67.05517	7.5
69.03434	2.5
69.07079	1.7
71.04994	0.8
72.09122	0.6
73.02930	3.7
73.11558	0.6
79.05505	4.9
81.03424	1.8
81.07069	7.6
83.08640	1.1
85.02921	5.8
85.93528	0.8
87.04446	0.7
91.03987	2.2
91.05507	2.6
93.07048	5.6
95.08624	4.1
97.02900	4.3
97.06522	0.8
99.04467	1.2
101.02402	1.7
105.07039	1.5
107.08601	2.3
109.10191	1.9
109.47133	0.6
111.20248	0.7
117.07032	1.0
119.08613	1.4
121.10163	2.8
127.03967	1.3
131.08569	1.2
135.11752	0.9
149.13260	1.7
159.11786	0.9
177.12805	0.7
184.07376	0.7
189.90466	0.7
195.00374	1.5
235.13219	1.0
237.63255	0.7
243.08650	1.6
400.03174	0.6
453.20969	7.8
519.29224	6.4
559.36182	3.4
561.34021	1.1
731.43475	100.0
732.43469	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	734.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68366	1.3
53.00307	2.0
55.01870	2.6
55.05521	14.3
57.03444	11.4
57.07078	25.1
61.02930	4.4
67.05501	16.3
69.07074	7.0
70.69772	1.7
71.08639	18.6
71.55324	2.1
71.55701	2.3
73.84968	1.6
79.05499	7.5
80.48193	1.5
80.59659	1.8
81.03421	2.7
81.07066	20.2
82.52958	1.6
83.04974	2.3
83.08634	17.0
85.02920	2.9
85.06540	2.2
85.10199	9.9
90.83907	1.4
91.05480	11.9
93.07061	12.4
95.04950	2.9
95.08626	17.0
97.02898	6.1
97.06553	1.8
97.10181	4.3
99.00833	11.7
103.07559	1.8
105.07043	8.9
107.04959	3.3
107.08596	6.5
109.02885	8.6
109.06511	1.9
109.10163	12.1
111.08083	2.4
115.03941	2.6
117.07087	1.9
119.08563	4.6
121.06506	4.3
121.10158	2.3
123.04384	1.9
123.11668	2.9
127.03930	1.9
128.06194	1.7
133.10139	24.4
137.13313	1.8
143.08565	3.8
151.11201	8.0
161.09607	11.5
171.08029	2.6
179.10674	6.5
184.07457	1.9
189.09142	6.9
207.10324	3.0
214.94489	1.7
225.11243	7.4
243.12283	1.6
281.13779	3.7
299.14917	100.0
300.15204	1.8
313.27377	88.5
314.27673	1.9
337.23560	1.5
537.37946	52.6
547.67236	1.7
563.35138	2.9
564.36127	8.8
638.27411	1.8
649.12732	1.9
734.43494	2.7
735.41968	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	736.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
54.85664	2.0
55.01865	6.5
55.05520	14.1
57.03440	16.8
57.06820	3.1
57.07082	37.6
59.06119	2.9
61.02924	3.6
62.21914	2.6
67.05186	2.4
67.05513	30.3
68.05079	1.9
69.03440	2.9
69.07076	14.6
71.01340	5.0
71.08641	29.7
71.09014	4.1
79.05503	25.5
81.03426	22.1
81.07065	30.3
82.52132	2.3
83.01327	2.4
83.04994	13.9
83.08633	15.9
85.02908	9.2
85.10189	13.9
89.06007	3.2
91.03962	2.3
91.05489	14.5
93.07043	26.6
95.04980	8.7
95.08621	31.6
97.02885	12.9
97.06538	6.4
97.10180	7.1
98.20725	5.3
98.56314	2.0
105.07039	5.8
107.04977	10.6
107.08610	16.0
109.10162	15.7
111.04453	8.1
111.08092	3.1
117.07069	6.1
119.08595	9.2
121.06528	2.6
121.10139	11.6
123.08031	3.1
123.11739	3.5
125.09650	3.2
131.08577	9.0
133.10150	4.2
135.08105	2.1
135.11720	17.6
142.20505	2.4
145.10110	17.2
149.09668	3.5
153.12762	17.8
155.08540	3.1
163.11203	34.4
170.87947	2.1
173.09662	7.1
181.12212	11.2
191.10721	10.4
195.00331	3.5
209.11769	25.0
227.12810	17.5
265.14380	9.3
283.12384	3.2
283.15427	49.4
301.16495	69.3
313.27371	100.0
314.27795	3.4
462.31238	2.5
503.37396	6.7
521.38458	59.6
522.39117	3.2
539.39417	81.9
540.40063	3.3
555.90076	2.8
688.30878	2.5
736.43195	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.8
53.03939	4.3
55.01877	6.6
55.05267	1.3
55.05518	20.6
57.03439	16.1
59.05017	1.6
61.02917	1.4
65.03933	1.8
67.05180	1.5
67.05512	25.0
69.03447	6.2
69.07077	6.6
69.21787	1.4
71.01344	2.2
71.04999	3.8
71.55168	1.1
71.55598	1.5
73.02904	2.1
79.05495	23.8
81.03424	85.5
81.07062	30.3
83.01371	1.4
83.04977	8.5
83.08627	29.1
83.20152	1.3
85.02891	3.7
85.06538	2.6
87.59147	1.1
88.74696	1.0
88.88338	1.2
91.05489	40.4
93.07057	25.1
95.04974	29.1
95.08611	9.1
95.09139	1.3
97.02900	9.7
97.06542	8.3
97.10190	8.2
99.00824	17.7
99.04482	2.4
99.08137	1.3
103.05474	2.3
105.07040	29.9
107.04964	14.1
107.08603	14.0
109.02894	13.1
109.06520	8.8
109.10183	8.2
111.04433	4.8
111.08076	11.7
113.05988	1.6
115.03922	2.3
115.05471	1.8
117.07046	5.9
119.04924	2.4
119.08593	21.2
121.06520	11.0
121.10144	8.3
123.04412	3.3
123.08078	4.1
123.11710	2.9
125.09654	6.0
127.03918	2.4
128.06233	2.3
129.07024	9.4
131.08571	12.9
133.06500	5.6
133.10143	42.2
135.08067	4.0
135.11681	3.9
137.05972	2.9
137.09627	4.7
139.07518	3.7
142.07761	2.5
143.08549	5.3
145.06506	3.7
145.10115	4.7
147.04440	3.8
147.08060	4.3
147.11710	8.1
149.09619	6.1
151.11218	11.0
153.06999	1.4
155.96533	1.2
157.10168	9.8
161.09633	23.1
163.11163	6.6
165.09210	1.5
171.08064	5.6
173.09811	1.5
175.11171	9.6
177.05487	1.7
179.10715	11.3
181.12250	1.3
189.09138	11.8
189.11273	4.3
191.10762	1.8
193.12260	24.2
197.11830	2.8
207.10168	2.7
209.11771	3.8
211.11435	1.3
211.13231	6.2
219.13858	8.6
225.11215	12.7
227.12836	6.7
243.12389	1.5
246.14908	1.2
249.14740	1.5
263.12775	1.4
267.15942	100.0
268.16202	2.5
281.13800	6.8
283.15472	7.5
285.16971	2.7
299.14917	77.8
300.15402	2.1
301.16867	1.5
329.45450	1.5
371.22089	1.6
381.20486	2.4
389.23062	3.4
399.21750	3.1
407.23941	1.4
417.22946	1.4
445.25998	10.9
459.27753	5.6
459.33191	1.3
463.27151	6.1
473.25403	29.2
477.28491	3.7
491.26437	97.1
492.26578	5.0
509.27368	7.8
523.28815	1.3
533.27429	2.2
635.31030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01879	9.3
55.05270	2.1
55.05516	33.3
57.03232	1.8
57.03443	20.7
57.15696	1.9
59.05003	36.3
61.02920	7.2
67.05508	88.6
69.03419	5.9
69.07060	9.0
71.01356	2.2
71.05000	14.9
76.53355	1.8
79.05502	37.7
81.03426	23.9
81.07062	39.2
82.03775	2.0
83.01356	9.1
83.04978	12.6
83.08630	19.4
85.02904	12.2
85.06544	3.1
87.04474	50.1
91.03939	3.3
91.04984	2.0
91.05496	23.3
93.07057	35.8
95.04964	13.1
95.08620	24.9
97.02901	8.5
97.06542	13.0
97.10184	11.3
97.85886	1.9
99.04474	14.9
105.07027	12.2
107.04984	10.6
107.08611	20.1
109.02855	2.1
109.06518	9.6
109.10162	59.6
111.04462	4.3
111.08085	6.8
117.07021	7.9
119.04907	3.2
119.08596	18.1
121.06504	7.3
121.10152	12.1
122.15358	1.9
123.08068	8.5
125.05887	2.6
125.09619	7.7
127.03887	3.9
129.07060	3.3
131.08562	7.6
133.10100	6.0
135.08023	3.5
135.11708	20.4
137.09607	7.3
143.08588	2.9
145.10130	22.1
147.04356	2.8
147.08072	2.1
147.11679	4.0
149.09601	2.6
153.12738	4.4
155.08607	2.2
155.10692	4.3
157.09995	2.0
163.11185	34.3
173.04472	3.0
173.09586	4.5
173.10310	2.4
173.11760	26.0
181.12247	8.5
183.35339	2.2
191.10664	6.3
193.12236	5.9
199.13350	7.0
209.11763	13.2
223.13277	2.0
227.12793	28.3
229.14374	66.6
241.14296	4.3
267.15952	8.1
283.15396	83.5
283.18542	4.2
311.14966	4.5
315.17963	6.8
391.94766	2.1
407.24194	2.7
420.58597	1.9
425.25366	8.7
437.25381	100.0
438.25684	4.8
459.27325	2.4
491.26019	3.2
509.27667	9.9
527.28833	2.5
576.36182	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	738.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65311	2.9
53.03942	4.2
55.01885	2.7
55.05521	12.9
57.03432	6.2
57.07057	2.6
57.15163	2.0
59.06113	8.9
67.05175	3.9
67.05509	52.5
69.07078	11.9
70.19897	6.3
71.05006	3.4
79.05498	50.5
81.03422	5.1
81.07064	45.4
83.04988	5.7
83.08630	8.1
86.87466	2.2
91.05489	32.7
93.07049	57.3
95.04962	14.0
95.08612	31.8
97.06547	3.1
97.10183	4.1
98.20831	3.5
100.32375	2.2
101.07146	6.2
105.07053	24.0
107.04966	4.4
107.08610	16.6
109.06539	4.2
109.10164	9.2
117.07037	6.2
119.08560	15.7
119.37659	1.9
121.10113	11.6
123.11703	1.9
129.06992	7.7
131.08574	4.7
133.10132	6.2
135.08148	2.3
135.11713	6.0
143.08559	4.9
144.90521	2.9
145.10097	5.9
147.11711	16.8
149.13254	2.4
158.41765	2.2
161.13258	7.1
171.11745	12.7
184.07426	2.4
189.12843	2.8
207.13840	13.3
215.32034	2.2
261.22229	4.6
281.17520	39.7
292.02829	2.1
335.25827	47.7
399.25262	2.2
541.38947	100.0
542.39417	5.8
571.29071	2.5
591.16376	2.3
597.48492	2.5
738.34485	2.9
738.46796	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	738.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
53.52557	0.2
55.05498	1.1
56.05029	0.9
57.03452	1.7
57.07077	3.7
58.06603	0.4
59.06113	0.2
60.07883	0.3
60.08168	6.3
67.05511	2.2
69.03429	0.5
69.07058	0.8
69.20010	2.8
70.06577	0.3
71.04982	0.4
71.07375	2.9
71.08635	2.9
79.05511	1.3
81.03424	8.0
81.07061	2.5
83.04984	0.4
83.08617	2.4
84.94601	0.3
85.10188	1.7
86.09713	27.7
91.05497	1.5
93.07028	1.1
95.04975	2.2
95.08610	2.5
97.02892	0.5
97.10162	0.8
98.20746	0.4
98.98480	2.7
104.10751	1.7
105.07028	1.0
107.04995	0.6
107.08624	0.5
109.10158	1.2
111.08076	0.5
117.07034	0.3
119.08595	1.2
121.06524	0.2
121.10131	0.8
123.11695	0.7
125.00011	19.9
129.06985	1.0
131.08575	0.8
133.06485	0.3
133.10133	0.5
134.51187	0.3
139.35020	0.2
147.08060	0.5
147.11688	0.8
149.09630	0.4
155.08475	0.2
157.10112	0.9
171.40549	0.3
175.11180	1.0
184.07350	100.0
185.07675	0.7
193.12242	3.0
211.13145	0.3
267.15936	12.9
313.27393	12.5
314.27679	0.3
344.62054	0.3
505.38907	10.5
506.39001	0.5
547.39581	0.5
631.43738	0.3
688.34100	0.5
688.45508	6.8
689.45612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53728	0.3
53.03942	0.5
55.05500	1.0
56.05034	0.8
57.03442	1.9
57.06829	0.4
57.07080	4.9
58.06615	0.5
58.62796	0.3
60.08164	5.5
67.05506	2.7
69.07056	1.7
70.58237	0.4
70.58580	0.7
71.07379	3.0
71.08636	3.4
77.34118	0.3
79.05502	1.1
81.03423	10.1
81.07069	3.6
83.04960	0.4
83.08614	2.6
85.02870	0.4
85.10196	2.3
86.09709	29.9
87.10045	0.3
89.06020	0.3
91.05492	1.9
93.07043	1.4
95.04974	2.8
95.08617	3.2
97.02878	0.4
97.10210	0.6
97.62517	0.3
98.98463	3.4
99.11724	0.4
104.10751	2.0
105.07001	1.6
107.04939	0.7
107.08611	0.8
109.06536	0.5
109.10151	1.2
109.20802	0.3
111.08033	0.6
113.86563	0.3
115.83238	0.3
119.08569	0.9
121.10139	1.1
123.11713	0.4
125.00011	19.2
129.07004	1.0
131.08549	0.7
133.10172	0.5
145.10197	0.3
147.11676	0.8
147.13992	0.3
149.09576	0.6
157.10143	1.2
175.11192	1.0
184.07349	100.0
185.07732	0.7
193.12291	3.3
239.23706	0.3
257.24741	0.5
267.15921	15.0
268.16254	0.4
313.27377	13.7
314.27695	0.5
326.20828	0.3
472.58731	0.4
505.38943	12.0
506.39322	0.4
688.45477	6.7
738.44635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05516	8.0
57.03437	12.6
57.07079	27.3
58.07437	1.4
60.08152	2.9
61.02938	2.1
62.62777	1.3
67.05510	16.0
69.03440	1.7
69.03983	1.5
69.07091	6.7
71.08639	18.1
75.11799	1.2
79.05500	7.3
81.03422	55.5
81.07067	15.6
83.04989	2.6
83.08632	17.1
85.02899	2.2
85.10192	9.9
86.09714	16.2
91.05486	9.3
93.07040	5.3
95.04975	14.0
95.08613	13.6
97.02895	2.7
97.06505	1.4
97.10177	4.0
97.12255	1.3
98.98472	1.3
104.10749	2.0
105.07048	8.7
107.04956	2.4
107.08591	4.1
109.06498	1.5
109.10164	6.7
111.08082	5.0
117.07025	2.1
119.08586	7.0
119.09361	1.4
121.06496	1.8
121.10146	4.2
123.11696	3.7
123.24971	1.4
124.90324	1.3
124.99997	13.1
129.07004	5.5
131.08574	6.3
133.06439	1.3
133.10153	2.9
137.09714	1.5
145.10199	1.4
147.08116	2.7
147.11673	5.3
149.09558	3.5
157.10147	5.8
175.11224	5.1
184.07352	56.9
193.12242	19.2
211.07141	1.2
211.13380	1.6
239.23706	1.5
249.15007	1.5
257.24615	1.6
267.15927	100.0
268.16229	2.2
296.80902	1.3
313.27393	90.4
314.27805	2.7
396.49747	1.3
401.11169	1.3
505.38904	79.6
506.39337	3.0
547.40076	3.3
647.71161	1.5
688.45172	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	740.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82042	0.7
53.03938	3.2
55.01881	6.0
55.05271	1.4
55.05517	22.0
57.03194	1.0
57.03445	15.7
57.07066	3.4
59.04991	2.6
59.06944	0.9
61.02935	6.3
65.02471	0.8
65.03928	2.7
67.05513	51.0
69.03427	3.4
69.07081	13.6
71.04987	3.5
71.08627	1.2
73.02905	1.6
73.82318	0.8
77.03958	0.8
79.05502	49.2
79.62413	0.8
81.02980	0.9
81.03426	10.8
81.07066	55.5
83.01351	7.8
83.04992	10.7
83.08633	13.6
85.02923	8.8
85.06550	1.4
91.03950	2.0
91.05489	26.7
93.07053	53.5
95.04973	9.7
95.08619	39.4
97.02905	5.8
97.06542	5.0
97.10149	4.4
99.04463	1.7
99.08141	1.1
105.04534	1.0
105.06384	1.3
105.07039	17.9
107.04979	7.0
107.08610	32.4
109.06541	5.6
109.10166	14.8
111.04457	2.0
111.08059	2.9
116.06233	0.9
117.07027	10.4
119.05055	0.8
119.07789	1.3
119.08588	14.6
121.06508	2.7
121.09315	1.5
121.10153	22.6
123.08089	7.8
123.10912	0.8
123.11702	5.2
125.00002	1.2
125.05994	1.8
125.09624	3.0
127.03915	1.4
128.06186	1.0
129.07007	2.4
130.07784	1.2
131.08591	10.7
132.13669	0.9
133.10147	8.8
135.08041	2.1
135.11700	21.1
137.09634	2.0
137.13252	2.6
143.08519	1.4
145.10133	20.1
147.08101	2.5
147.11703	6.3
148.97179	0.9
149.09612	1.0
149.13278	5.8
153.12761	2.4
159.11681	5.5
161.13277	4.0
163.11200	25.0
163.14821	3.5
165.12704	1.1
171.11746	1.6
173.09593	2.6
173.13271	5.7
175.14841	1.8
181.12183	3.1
184.07344	1.6
185.13356	1.1
187.14796	2.8
189.11200	2.0
191.10674	2.3
193.12227	1.3
209.11761	6.2
211.13252	1.3
227.12791	17.0
243.21146	5.0
259.20743	0.9
261.22168	19.3
261.24863	1.4
267.15952	2.6
278.33246	0.8
281.95248	1.0
283.15430	95.9
284.15747	1.7
299.23752	5.0
317.24725	5.4
333.23926	1.4
335.25830	100.0
336.26260	3.1
343.53748	0.9
415.29495	0.9
433.31015	2.2
451.31970	3.4
469.33060	0.9
507.39828	1.2
515.37976	1.2
525.35437	3.5
543.36884	68.3
544.37097	3.4
561.38000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.01867	3.3
55.05271	1.1
55.05517	17.9
57.03442	12.0
57.07069	2.8
61.02921	1.8
62.37690	0.7
63.75507	0.8
65.03940	2.4
65.13646	0.7
67.05511	49.3
68.05853	1.0
69.03425	1.6
69.07077	11.9
69.28091	7.4
70.86456	0.7
71.04987	2.6
73.02921	1.6
75.71236	0.7
77.03891	1.0
79.05498	43.5
81.03419	2.7
81.07062	50.4
83.04993	3.4
83.08622	11.5
85.02927	1.8
85.06538	1.4
91.04976	1.2
91.05492	18.7
93.07053	57.1
94.07363	1.3
95.04974	6.2
95.08614	63.0
96.27040	0.7
97.02883	3.9
97.06551	5.4
97.10169	2.5
98.21569	1.2
99.04454	4.5
99.08084	1.1
103.05442	1.2
105.04546	1.0
105.07040	15.3
107.04971	7.6
107.08602	40.8
109.06519	3.4
109.10168	10.7
111.04454	1.3
111.08105	1.8
113.09641	0.8
117.07028	12.9
119.08587	16.0
121.06525	6.2
121.10149	22.6
123.08097	1.0
123.11720	2.9
125.05986	4.1
127.65587	0.8
129.07062	1.1
130.07811	2.5
131.08621	4.3
133.10141	7.9
135.08044	2.7
135.11703	55.1
136.12012	0.8
139.07593	2.0
143.08568	0.9
145.10133	33.6
147.11719	2.0
147.20375	0.8
149.13281	3.1
153.12715	1.1
159.11694	1.7
161.13228	1.9
163.11194	66.7
163.14844	1.5
164.11539	1.2
165.12401	0.7
173.13304	1.7
175.14862	1.0
177.16478	1.0
181.12245	10.1
184.07399	1.5
187.14879	0.8
209.11751	3.3
220.69728	0.7
227.12790	85.0
243.20946	1.6
261.22192	9.7
283.15411	97.0
284.15723	2.3
317.24686	3.3
335.25821	100.0
336.26135	2.3
543.36865	89.0
544.37292	4.7
728.75195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
55.01848	2.0
55.05520	10.8
57.03446	9.1
57.07061	0.9
61.02929	0.9
61.68982	0.5
65.03923	1.5
65.04259	0.6
67.05512	36.1
69.03433	1.0
69.07077	10.8
71.04998	2.8
71.12916	0.5
73.02914	0.7
77.03882	1.0
79.05501	34.6
81.03408	1.8
81.07067	38.8
83.04981	3.0
83.08626	9.1
83.53030	0.5
85.02883	0.9
85.06524	1.0
86.09669	0.9
91.05487	12.0
93.07055	42.3
95.04984	5.2
95.08619	43.7
97.02910	3.0
97.06544	2.9
97.10127	1.4
99.04434	1.7
105.04531	1.1
105.06389	0.8
105.07045	10.9
107.04421	0.4
107.04979	5.1
107.08607	29.4
109.06497	1.4
109.09464	0.8
109.10172	9.8
111.04443	0.9
111.08082	1.1
117.07031	8.2
119.08588	9.7
121.06524	3.9
121.09330	0.9
121.10158	16.2
123.08070	1.2
123.11700	2.1
125.05969	2.1
125.09609	0.6
128.06180	0.8
130.07793	1.5
131.08577	3.6
133.10129	5.9
135.08058	1.1
135.11705	37.7
137.13264	0.8
139.07521	1.4
145.10141	21.0
147.11658	2.4
149.13229	2.9
153.12752	0.9
155.80507	0.5
159.11671	1.8
161.13249	1.2
163.11201	39.5
163.14871	1.5
164.11517	0.8
173.09561	0.6
173.13275	1.2
177.16499	0.6
181.12241	7.5
184.07410	2.3
187.14853	0.7
205.14230	0.7
209.11778	1.5
227.12802	53.2
228.13153	0.7
229.00101	0.7
243.21132	1.5
261.22214	5.5
283.15433	48.2
284.15976	0.9
317.24835	1.7
335.25830	100.0
336.25970	2.6
543.36865	72.1
544.37097	3.1
572.87341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76256	1.0
55.05522	17.1
57.03443	9.3
60.66974	1.0
65.03943	2.0
67.05511	20.8
69.03437	4.4
69.07079	5.8
69.30371	1.3
70.06593	3.7
70.68298	1.1
71.04995	3.9
71.09640	1.0
79.05505	23.9
81.03434	45.7
81.03919	2.7
81.07067	23.3
83.04985	5.3
83.08640	15.1
85.02923	2.9
85.06522	2.2
91.05490	19.0
93.07060	15.8
95.04983	22.1
95.08620	10.3
97.06554	5.7
97.10181	15.4
99.04462	1.4
103.05466	1.5
105.07050	13.1
107.04974	17.9
107.08613	14.3
109.02914	1.5
109.06534	19.5
109.10170	6.3
111.04431	2.3
111.08076	5.1
115.05479	1.1
117.07056	6.6
119.04956	1.6
119.08603	9.8
121.06538	12.6
121.10149	11.5
123.04425	1.8
123.08094	5.0
125.06004	1.4
125.09648	15.3
129.07011	8.6
131.04990	2.1
131.08588	12.3
133.06508	4.4
133.10150	4.2
135.08087	6.5
135.11748	1.8
137.09650	2.2
139.07553	1.1
139.11215	2.2
141.07004	2.0
142.07855	1.8
143.08539	2.0
143.53343	1.2
145.06540	6.5
145.07486	1.2
145.10104	6.5
147.04478	1.7
147.08090	5.8
147.11739	5.4
149.09628	6.2
153.09138	3.1
155.08575	2.1
157.10184	7.8
159.08017	1.7
159.11752	2.4
161.09630	1.7
163.11221	3.0
165.12811	1.5
167.10652	2.2
169.10132	1.4
171.08073	1.3
171.10226	1.5
171.11725	1.5
173.13326	3.1
175.11171	7.2
175.14659	1.3
178.06200	1.6
181.10115	1.4
183.11685	2.6
185.09703	2.0
185.13199	1.7
187.11237	1.9
189.11261	5.5
191.10683	1.4
191.14316	3.8
193.12273	14.6
198.29008	1.1
199.11250	2.0
205.12245	2.1
211.13197	1.8
213.12891	1.4
215.14417	2.4
217.12361	2.5
219.13829	14.4
223.11383	1.1
225.12679	1.2
227.12712	2.0
229.14388	1.8
233.15350	3.6
237.12872	1.9
241.14354	1.4
242.05727	2.4
248.61583	1.3
249.14989	1.3
257.04517	16.5
258.05228	2.8
259.09750	1.3
259.15451	6.4
267.15936	40.8
273.14792	5.8
283.15292	1.7
285.04111	1.9
286.04791	6.9
287.05460	5.2
293.17496	8.2
297.03830	1.7
339.23221	1.7
349.21643	2.1
352.12259	1.2
357.24316	2.1
367.22723	17.1
385.18787	1.4
385.23770	24.0
403.24814	8.8
405.24210	1.8
433.25775	2.1
436.11182	1.5
441.26431	7.0
451.26846	4.1
459.27475	100.0
460.27762	4.5
477.11691	5.7
477.28552	91.3
478.28833	4.4
491.30215	10.4
495.12921	31.5
495.29443	7.1
501.28342	2.0
509.30844	4.0
513.27765	1.3
567.29449	2.2
742.40625	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01874	3.7
55.05517	23.6
57.03439	22.3
57.07083	3.6
61.02927	4.0
65.03951	3.3
67.05512	64.2
69.03430	5.7
69.07065	13.2
70.50551	1.6
71.04995	6.8
75.80240	1.6
79.05131	1.4
79.05496	49.4
81.03423	59.6
81.07062	65.3
83.04978	17.9
83.08620	28.2
85.02913	26.9
85.06546	3.9
91.05488	46.2
93.07052	50.4
95.04975	25.8
95.08613	35.6
97.02900	5.8
97.06527	5.4
97.10182	5.1
105.07038	33.8
107.04980	8.5
107.08601	24.4
109.06542	6.3
109.10165	14.4
111.08096	10.6
113.06036	4.1
115.05451	2.6
117.07024	7.4
119.08601	29.1
121.10145	19.5
123.08080	1.7
123.11722	5.4
129.07008	11.9
131.08574	19.8
133.06496	3.1
133.10147	15.8
135.11661	8.1
137.09619	2.1
145.10149	7.9
147.08026	2.5
147.11708	14.0
149.09608	6.8
149.13292	6.0
157.10138	15.3
159.11743	4.0
161.13301	4.2
165.12817	3.7
173.13287	4.9
175.11203	14.4
175.14830	2.4
184.07294	3.2
193.10472	2.5
193.12242	52.0
199.35052	1.7
211.13301	79.6
212.13538	2.3
243.21135	3.0
244.79482	1.8
261.22159	7.6
267.15939	16.2
285.16974	76.6
298.97678	2.0
317.24716	3.2
335.25839	80.4
336.25992	3.2
349.57254	2.0
417.31870	1.8
435.32629	2.8
453.33878	2.2
481.63727	2.0
509.87985	1.8
527.37354	11.5
545.38428	100.0
546.38568	4.5
546.87299	1.7
584.63239	2.1
658.29895	2.1
740.13690	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	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89003	0.9
53.03956	4.8
55.01872	1.7
55.05272	1.8
55.05516	23.0
57.03195	1.2
57.03444	14.8
57.07068	2.0
59.04994	1.5
61.02930	4.4
65.03928	2.7
67.05511	52.9
69.03441	4.9
69.06721	1.3
69.07072	15.0
69.77988	2.4
69.78397	3.5
71.05001	4.3
73.02911	0.9
73.06519	0.9
76.83401	0.9
79.05499	47.4
81.03427	48.5
81.07063	55.4
83.04993	12.6
83.08156	1.2
83.08627	18.5
85.02912	21.5
85.06532	2.0
86.09708	2.6
87.96500	1.1
91.03969	1.4
91.05490	33.5
93.07051	42.6
95.04972	21.1
95.08617	35.9
97.02928	5.0
97.06522	4.6
97.10171	4.6
98.20844	1.7
99.08098	1.0
105.07040	29.1
107.04948	4.2
107.08604	21.0
109.06504	4.1
109.10176	13.8
111.04441	1.8
111.08078	8.2
113.06005	1.5
115.05470	1.6
117.07028	5.8
119.04958	1.0
119.08592	19.9
121.06492	1.3
121.10149	18.8
123.08109	1.9
123.11729	4.8
125.00008	1.3
125.09668	2.2
129.07016	9.3
131.08580	14.6
133.06491	3.1
133.10141	13.8
135.11714	8.6
137.09604	1.9
137.13194	1.4
142.07788	2.0
145.10143	6.7
146.27502	1.0
147.08038	2.8
147.11694	16.2
149.09639	4.8
149.13283	5.7
157.10132	10.3
159.11702	3.8
161.13239	3.5
163.11177	1.5
163.14798	2.3
165.12813	2.4
171.11674	1.1
173.11853	1.1
173.13277	3.3
175.11223	9.1
175.14784	0.9
184.07326	3.9
185.07767	0.9
187.14816	2.3
193.12259	32.6
211.13306	45.8
243.21014	2.6
261.22211	12.5
267.15945	11.3
277.21320	0.9
278.57150	0.9
285.16980	50.9
286.17172	1.6
315.01932	0.9
317.24734	3.2
324.17987	1.0
335.25818	88.8
336.26202	2.8
381.60504	0.9
435.32007	1.2
453.33469	2.3
527.37329	11.6
545.38422	100.0
546.38782	5.1
546.75623	1.0
634.94025	1.0
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
51.69529	0.8
52.28822	0.8
53.03945	4.5
53.83335	0.9
54.57204	0.9
55.01868	2.0
55.05517	16.2
56.67408	0.8
57.03447	11.4
57.07081	1.7
57.91714	0.8
59.05000	1.1
61.02922	2.5
65.03952	1.5
67.05508	36.7
69.03418	3.9
69.07070	9.3
71.04968	4.2
78.82232	0.9
79.05497	29.6
81.03424	48.1
81.07063	35.0
83.04987	10.5
83.08629	20.6
85.02425	1.4
85.02906	17.8
85.06540	1.4
91.05486	23.6
93.07053	29.5
95.04977	19.0
95.08617	24.4
95.09061	0.5
97.02905	3.4
97.06543	2.6
97.10160	2.4
98.20683	1.9
99.04404	1.1
99.08089	1.2
105.06377	1.6
105.07035	19.7
107.04956	3.5
107.08609	16.2
108.08908	1.3
109.06524	3.5
109.10172	9.2
111.04379	1.2
111.08083	8.8
113.06038	1.7
117.07018	4.3
119.08591	17.9
121.06529	1.1
121.10155	13.6
123.08035	1.3
123.11682	4.7
125.09618	2.1
129.07011	6.7
131.08572	9.8
133.06465	2.1
133.10132	9.4
135.11725	6.0
137.09621	1.2
142.07819	1.8
145.10168	5.0
147.08046	2.4
147.11713	10.2
149.09613	3.5
149.13277	2.4
157.10129	8.1
159.11702	3.0
161.13284	1.8
163.11142	1.4
163.14848	1.8
165.12764	2.5
173.13246	1.5
175.11192	10.5
175.14732	0.9
187.14801	1.2
193.12256	32.5
194.12592	1.2
211.13303	53.1
212.13692	0.9
215.85637	0.9
227.12787	2.8
243.21191	1.9
261.22247	4.8
267.15976	7.4
283.15479	1.5
284.15924	1.2
285.16995	44.3
317.24677	2.1
335.25827	43.2
336.26181	2.6
337.27255	1.1
435.32690	2.3
453.33499	1.4
527.37421	7.9
527.44019	1.5
545.38397	100.0
546.38678	4.1
575.74615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
53.18235	0.6
55.01870	1.5
55.05517	15.5
57.03193	0.7
57.03446	9.9
57.07086	3.3
58.85891	0.5
61.02932	1.0
61.48787	0.6
65.03938	2.1
67.05511	41.4
69.03433	1.5
69.07077	19.5
69.07452	1.0
71.04987	2.2
71.08613	0.6
73.02922	1.8
77.03903	0.6
79.05499	23.8
81.03434	3.8
81.07066	46.3
83.04995	3.5
83.08632	13.3
85.02892	1.3
85.06541	1.8
85.10173	0.7
86.09692	0.8
91.05492	12.0
93.07055	33.8
93.23236	0.6
95.04990	5.4
95.08616	51.2
97.02892	2.6
97.06546	4.3
97.10174	5.5
98.20688	1.1
99.04457	1.8
105.07043	10.2
107.04964	4.8
107.08610	21.8
109.06551	1.0
109.10162	13.1
111.04447	0.6
111.08089	2.0
117.07021	5.7
119.08595	11.5
121.06502	3.6
121.10160	12.6
123.08070	0.8
123.11710	5.3
125.06003	1.9
125.09582	0.9
130.07813	1.5
131.08569	1.4
133.10139	6.6
135.08102	1.5
135.11707	34.9
137.09671	0.8
137.13226	1.5
139.07588	1.2
139.11191	0.9
143.08588	0.8
145.10135	18.9
147.11713	3.3
149.13290	1.5
152.51460	0.6
153.12802	1.3
156.29877	0.6
161.13284	1.3
163.11203	37.7
163.14836	1.2
173.09747	0.7
175.14813	1.2
181.12265	7.3
184.07358	1.9
195.03261	0.6
227.12798	46.8
245.22699	1.5
261.22101	1.2
263.23727	2.1
267.15936	2.9
277.25131	0.7
283.15433	45.7
284.15842	1.1
285.17041	1.2
312.52728	0.8
335.25800	5.6
337.27393	100.0
338.27658	2.0
527.37354	1.0
545.38428	82.0
546.38367	3.1
742.44397	2.3
743.45898	1.6
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
53.03945	3.0
55.01876	3.3
55.05263	1.6
55.05515	20.8
57.03442	11.4
57.07077	3.5
60.35384	0.8
61.02951	1.5
65.03947	2.8
67.05509	48.3
69.03440	1.5
69.07070	24.2
69.28249	6.9
71.04987	3.7
73.02917	1.8
73.51132	0.8
77.03948	0.8
79.05499	31.2
81.03440	4.8
81.07064	55.6
83.04993	7.0
83.08624	17.7
85.02917	2.2
85.06537	1.4
86.09707	1.2
91.05482	17.5
93.07050	44.7
95.04975	7.1
95.08612	64.8
96.30378	1.0
96.85668	0.9
97.02907	5.4
97.06529	6.0
97.10171	5.9
99.04471	4.8
99.08188	1.0
103.05486	1.2
105.07039	13.9
107.04971	7.5
107.08600	30.3
109.06525	2.7
109.10164	15.7
111.04425	1.5
111.08083	2.4
113.06037	1.3
117.07017	9.4
119.08588	17.3
121.06522	6.1
121.10150	21.1
123.08118	1.1
123.11723	4.8
125.05989	3.1
130.07813	1.3
131.08565	2.7
133.10139	8.5
135.08076	2.8
135.11705	49.3
137.13257	1.5
139.07527	2.6
145.10138	25.9
147.11681	3.9
149.13277	1.9
161.13295	2.7
163.11198	62.1
175.14874	1.4
181.12233	12.0
184.07356	2.8
193.12308	2.1
209.11717	1.5
227.12798	78.2
245.22751	1.1
261.22037	1.3
263.23758	2.1
267.15948	4.2
283.15424	95.7
284.15814	1.1
285.17007	2.6
335.25937	5.2
337.27377	100.0
338.27667	2.3
428.71854	0.9
471.34396	1.0
527.37128	1.4
545.38409	97.2
546.38531	3.5
742.43408	3.6
762.53314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01865	1.7
55.05513	12.4
55.96410	1.1
57.03441	8.5
61.02929	2.3
65.03947	1.0
65.25321	0.8
67.05509	35.1
69.03430	3.6
69.07069	9.4
71.04987	3.3
79.05499	25.6
80.05869	1.0
80.19562	0.8
81.03424	37.7
81.07064	33.7
83.04982	6.8
83.08627	15.7
85.02911	14.8
91.05485	23.7
93.07047	29.8
93.98140	0.8
95.04973	12.7
95.08611	28.6
97.02906	2.9
97.06522	2.5
97.10159	4.1
99.04413	1.1
99.08092	1.1
105.07035	15.0
107.04982	2.7
107.08601	11.1
109.06519	3.2
109.10174	8.1
111.04443	1.9
111.08071	5.7
113.06042	1.7
114.46849	0.9
117.07017	3.5
119.08587	12.1
121.06541	1.3
121.10146	12.7
123.08102	1.0
123.10836	0.8
123.11719	3.0
125.09689	1.3
129.06984	5.1
131.08577	8.2
133.06482	2.5
133.10133	8.9
135.11699	6.9
142.07800	1.3
145.10130	4.7
147.08134	1.3
147.11693	10.7
149.09647	2.3
149.13303	2.5
157.10139	6.5
159.11674	1.9
161.13272	2.4
163.11218	1.7
163.14804	1.1
165.12759	1.6
175.11163	7.7
184.07544	1.2
193.12251	23.9
211.13304	33.6
227.12866	2.1
243.21165	2.4
261.22192	5.4
267.16000	6.3
283.15436	2.5
284.15778	1.4
285.16983	33.3
317.24722	1.8
335.25824	63.4
336.26175	3.3
337.26691	1.5
435.32602	1.0
453.33551	1.4
527.37286	6.8
544.37537	1.4
545.38379	100.0
546.38849	4.7
597.59058	0.9
712.60956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.3
71.54794	2.3
85.02901	1.5
87.49422	1.3
93.37611	1.3
97.02882	2.0
98.97594	1.7
101.00869	8.1
104.28483	1.6
107.10149	1.3
111.53002	1.3
119.01917	10.6
127.02448	1.8
127.06078	1.4
131.01942	3.2
136.98512	2.8
143.01897	15.3
145.03461	6.0
155.01894	14.9
157.03474	6.4
161.02954	16.2
167.01903	8.6
169.03491	3.4
171.05077	1.7
173.02946	17.7
179.01950	2.3
185.02986	34.8
186.03252	1.8
187.04480	3.3
197.00555	3.3
197.03004	11.2
203.04074	9.0
215.03993	6.8
221.04916	2.6
226.03174	1.6
227.04054	7.8
239.01660	5.6
245.05101	100.0
257.02682	3.7
257.05142	7.3
263.06177	12.6
275.06088	12.9
293.07010	1.8
296.71320	1.5
305.07272	11.9
335.08099	4.0
347.08200	2.1
365.09329	35.7
366.09808	1.4
383.10217	2.3
400.05487	1.4
401.07080	30.7
425.11435	33.5
426.12030	1.5
430.05978	1.4
437.11481	2.5
455.12589	4.1
713.65894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39637	0.6
53.03949	0.6
55.05513	1.0
55.82745	0.7
56.96571	1.5
58.71016	0.6
61.02922	1.1
67.05514	4.1
69.01864	0.6
69.03432	0.7
70.06587	0.7
71.04998	1.2
79.05502	2.0
81.03428	2.3
81.07085	2.0
83.08666	0.9
85.02915	1.6
89.66493	0.6
90.14738	0.6
91.05482	1.9
93.07042	1.2
95.04980	1.2
95.08587	0.7
97.02914	1.6
97.06519	1.7
98.97606	1.0
107.04962	1.2
107.08620	1.2
109.02931	0.9
109.10181	2.4
111.04441	0.7
119.04964	1.5
121.10158	0.9
131.00146	0.8
147.03317	0.8
147.04401	3.2
161.06038	0.7
163.03963	1.2
181.04913	1.0
203.69888	0.7
242.65335	0.8
255.09108	1.1
256.20041	0.7
259.09915	0.8
265.07474	0.7
267.09186	3.9
283.08691	1.9
285.10211	3.1
287.39285	0.9
293.05563	0.9
413.17902	2.0
426.78067	0.7
467.19064	1.1
485.16965	2.3
501.16553	2.0
517.20465	1.4
573.18109	0.7
639.29810	12.2
683.33142	1.6
743.32568	100.0
744.33118	4.0
746.10193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01889	0.6
55.05517	1.7
55.65404	0.4
57.03435	1.4
61.02930	5.3
67.05511	5.3
69.03437	3.7
69.07058	2.1
71.00284	0.5
71.01343	0.6
71.04974	0.5
71.28361	0.8
71.90466	0.4
73.02928	4.3
79.05499	6.0
79.16650	0.4
81.03445	2.3
81.07060	6.0
83.04981	1.1
83.08611	0.8
85.02911	5.0
86.09711	0.6
87.04514	0.5
91.03951	3.0
91.05475	4.0
93.07058	5.4
95.04978	0.7
95.08613	4.5
97.02901	4.8
97.10178	0.8
99.04455	0.9
101.02401	1.7
105.07067	2.6
107.08602	2.1
109.02900	0.6
109.06551	0.5
109.10184	1.7
112.22320	0.4
113.68185	0.5
115.03960	0.6
119.08585	2.0
121.10165	1.9
123.11718	0.6
127.03884	2.2
129.07001	0.7
131.08595	1.2
133.10138	1.3
135.11726	1.1
145.10176	0.9
147.11740	1.2
159.89737	0.5
161.13283	0.7
171.11697	0.5
175.06667	0.5
184.07404	1.9
203.05261	0.8
243.08456	1.7
247.13077	1.1
335.25833	1.2
391.68185	0.5
448.16733	0.5
461.74121	0.6
465.21005	4.8
519.29468	9.8
528.38812	0.5
571.47723	0.7
604.87579	0.5
641.00836	0.5
743.43469	100.0
744.43561	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	744.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28996	0.8
53.03968	4.0
55.01867	2.2
55.05521	13.3
57.03186	1.3
57.03444	14.0
57.07063	1.0
58.06043	0.7
58.77980	0.7
61.02918	3.5
65.03935	2.6
67.05513	51.5
69.03448	6.4
69.06727	1.0
69.07075	14.7
69.24483	0.8
71.04996	3.0
71.08628	0.9
71.55011	0.8
71.55374	0.8
73.02912	0.8
79.05502	45.4
81.03407	5.2
81.07066	43.4
83.04991	9.4
83.08628	5.5
85.02919	6.5
85.06522	1.3
86.09708	1.3
87.04486	4.8
91.03972	1.8
91.04978	1.6
91.05495	22.2
93.07055	58.2
95.04988	6.7
95.08617	37.5
97.02888	1.8
97.06532	4.5
97.10168	2.8
99.08072	2.6
101.06008	1.8
103.05431	1.3
105.04505	1.5
105.06384	1.2
105.07045	17.1
107.04981	2.4
107.07873	1.5
107.08605	29.2
109.06466	1.3
109.09455	1.2
109.10163	14.2
109.64874	0.8
111.08064	1.3
115.03930	2.2
117.07027	5.2
119.08584	11.4
121.10155	58.8
122.10422	1.0
123.08087	6.3
123.11736	5.3
124.99988	1.3
125.09635	2.2
129.05505	1.0
129.07002	1.4
131.08586	24.7
133.06499	2.8
133.10135	7.1
135.08046	1.2
135.11690	7.9
137.13255	1.3
139.11137	5.2
143.08525	1.1
145.10153	4.5
147.11748	4.8
149.09631	19.3
149.13266	4.0
151.11151	1.5
159.08080	1.6
159.11678	3.3
159.13107	0.7
161.13260	2.2
163.14813	3.1
167.10699	22.5
173.13211	4.3
177.09102	4.2
184.07388	5.4
185.11714	4.1
187.14882	2.2
195.10188	3.6
213.11290	2.5
241.14368	3.0
243.16066	0.9
243.21120	4.5
251.12794	1.5
259.15366	1.2
261.22137	18.7
262.22375	1.3
267.15942	2.9
269.13696	3.8
279.23291	1.0
287.14923	64.8
288.15021	0.9
304.96481	0.8
317.24759	3.2
331.26523	0.8
333.24249	0.9
335.25839	100.0
336.26074	4.2
337.27393	1.8
353.26767	0.9
361.33667	0.8
376.43817	0.9
408.46829	0.8
409.30960	0.9
501.36050	1.3
529.37549	1.3
547.36298	30.5
548.36676	1.6
565.37341	3.0
654.39154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
54.18779	1.5
55.01876	2.6
55.05518	19.0
55.71078	1.3
57.03449	17.2
57.07095	3.0
61.02917	3.8
65.03950	1.9
67.05513	70.7
69.03442	8.7
69.07079	19.4
69.39037	11.6
71.05004	2.8
73.02914	2.2
77.68215	1.2
79.05503	62.0
79.05965	3.4
81.03429	15.6
81.07067	60.4
83.04989	13.8
83.08620	9.4
85.02911	6.2
85.06529	3.3
86.09716	3.7
87.04474	10.3
91.03951	1.9
91.05492	33.9
92.05845	1.7
93.07057	67.2
95.04991	9.2
95.08614	43.5
97.02907	4.5
97.06553	5.5
97.10194	5.0
99.08065	2.1
101.06015	2.6
105.07034	18.3
107.04969	6.7
107.07887	2.2
107.08603	33.0
107.09303	2.6
109.06558	4.1
109.10173	17.2
111.08070	2.4
115.03932	2.7
115.05451	1.5
116.06233	2.0
117.07006	6.9
119.08591	17.6
121.10157	77.5
122.10452	2.6
123.08059	8.5
123.11640	6.3
125.09651	3.0
129.05551	1.5
129.07014	2.7
131.08591	34.2
133.06508	2.3
133.10115	10.1
135.08031	2.3
135.11708	9.2
137.13239	2.6
139.11198	6.7
145.10124	9.0
147.11665	6.5
149.09639	27.5
149.13295	6.4
151.11218	1.8
157.10133	2.3
159.08080	2.3
159.11697	4.4
161.13316	2.5
163.14810	2.7
167.10707	25.5
173.13243	3.1
175.11150	2.4
175.14859	2.0
177.09142	4.4
184.07375	9.9
185.11731	5.4
187.14758	1.6
193.12341	3.0
195.10196	6.1
201.16338	1.8
203.12849	1.5
211.13237	1.6
213.11298	3.3
241.14371	2.6
243.21114	4.9
251.13005	1.3
259.15680	1.8
261.22165	21.4
267.15948	12.0
269.13882	3.8
286.17340	1.4
287.14908	99.2
308.21124	1.4
311.38113	1.2
317.24841	3.0
326.12558	1.4
335.25833	100.0
336.26163	5.9
337.27399	12.3
353.27032	2.7
370.38486	1.3
376.18958	3.9
529.39191	8.7
547.36041	22.5
565.37317	2.4
738.61377	1.6
745.41083	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	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
53.69158	1.2
55.01870	2.8
55.05519	26.2
55.65228	1.3
57.03186	1.6
57.03443	17.3
57.07072	3.6
61.02937	6.7
65.03943	2.2
67.05512	59.8
69.03424	6.1
69.03758	1.3
69.07080	24.7
69.32600	6.7
69.33030	4.8
71.04990	5.5
71.08626	1.5
73.02915	2.0
79.05505	29.9
81.03429	48.7
81.07069	65.9
83.04990	12.9
83.08627	27.2
83.77802	1.3
85.02916	23.6
85.06542	3.0
91.03954	2.1
91.04971	2.3
91.05493	35.0
93.07061	26.0
95.04984	22.0
95.08617	39.3
97.02883	5.0
97.06529	5.6
97.10189	7.8
105.07047	24.7
106.07381	1.3
107.04937	4.0
107.08600	12.6
109.06540	4.8
109.10176	22.3
111.08113	9.3
113.06059	2.1
115.05452	1.5
117.07057	2.3
119.08598	18.6
121.10152	14.4
123.08064	2.8
123.11716	4.6
125.09634	2.2
129.07013	7.9
131.08582	11.6
133.06488	1.6
133.10161	13.0
135.08064	2.3
135.11710	3.7
137.09639	3.1
137.13237	1.4
139.11169	1.5
142.07806	3.6
145.10088	2.2
147.08075	3.1
147.11697	12.9
149.09608	4.5
157.10143	12.8
161.13251	1.8
163.14883	1.5
165.12796	3.3
175.11183	9.4
175.14726	2.3
193.12262	36.9
200.09200	1.3
211.13313	61.2
229.14476	1.9
245.22653	2.2
263.23749	4.5
267.15894	13.3
269.78607	1.5
283.15463	1.5
285.16998	68.0
286.17416	2.1
287.15112	1.7
287.18307	2.6
335.25894	5.3
337.27399	63.2
338.27585	1.9
489.35623	6.2
529.39087	11.1
547.40002	100.0
548.40131	2.9
744.45917	37.4
745.41858	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01873	2.2
55.05517	23.0
57.03440	17.0
57.07063	4.2
59.04996	1.5
61.02920	5.7
65.03925	2.5
67.05508	61.8
69.03422	4.8
69.06728	1.8
69.07075	22.2
71.05000	6.4
71.08615	1.4
73.02913	1.9
74.09744	1.1
75.52411	1.1
75.81810	1.1
79.05066	1.6
79.05499	27.6
81.03424	48.3
81.07063	57.4
82.03751	1.4
83.04990	13.6
83.08143	1.8
83.08625	28.9
85.02438	1.4
85.02913	22.0
85.06551	2.3
87.04469	1.4
91.03935	2.4
91.05486	29.3
93.07048	28.5
95.04979	18.9
95.08614	35.0
97.02892	5.2
97.06513	4.4
97.10158	8.3
98.20731	2.9
99.08118	2.9
105.06371	2.1
105.07037	22.2
107.04995	2.8
107.08602	14.6
109.06535	3.6
109.10174	19.9
111.04459	2.2
111.08075	9.3
111.11719	1.6
112.91679	1.1
113.06035	1.5
117.07027	2.8
119.04961	1.2
119.08588	21.8
121.10151	14.7
123.08051	2.2
123.11723	5.3
125.09617	3.4
127.07670	1.2
129.06996	8.3
131.08563	8.8
133.06522	2.4
133.10138	12.6
135.11678	6.2
137.09615	1.5
137.13275	2.6
145.10118	2.3
147.08072	1.9
147.11700	16.6
149.09622	5.0
149.13219	1.4
157.10132	10.5
159.11864	1.3
161.13287	1.9
165.12683	2.0
173.11685	1.9
175.11205	13.3
175.14835	1.7
184.07350	3.3
193.12276	32.5
201.03728	1.3
211.13304	60.1
245.22752	2.2
263.23853	2.2
267.15948	16.8
285.16968	68.7
287.14865	2.8
315.91751	1.1
335.25745	7.7
337.27383	68.8
338.27805	2.0
465.35486	3.3
489.35928	7.3
529.38800	12.6
547.40027	100.0
548.40039	4.4
575.87494	1.3
700.41553	1.3
744.45892	37.9
745.41132	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	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01884	0.9
55.05275	0.9
55.05518	16.6
57.03440	10.6
57.07061	1.8
57.78986	1.0
59.04992	2.2
61.02915	4.0
61.96752	1.1
64.68661	1.1
65.03929	3.2
67.05509	99.2
69.03420	4.3
69.07075	16.4
69.31554	7.5
71.04996	24.6
71.08640	1.5
73.32575	1.0
79.05497	38.8
81.03412	5.3
81.07063	48.2
81.73645	1.0
83.04976	4.7
83.08629	9.4
85.02898	4.5
85.06545	2.9
89.98539	1.0
91.03997	1.3
91.05488	27.8
93.07050	48.9
95.04963	5.2
95.08616	32.6
95.09232	1.7
97.02885	1.8
97.06526	5.2
97.10158	3.8
99.08118	1.7
105.07043	12.5
107.04989	1.6
107.07880	1.2
107.08599	22.5
109.06535	1.9
109.10163	71.4
111.08068	4.0
117.07018	5.2
119.08589	19.5
121.10158	18.2
122.10392	0.9
123.08058	1.3
123.11710	3.4
129.07024	1.4
131.08568	8.4
133.10147	8.1
135.11708	19.8
137.09639	10.4
142.26990	0.9
145.10136	9.5
147.11708	6.2
149.13271	3.3
155.10695	3.4
157.10168	1.9
157.53844	1.1
159.11696	4.6
161.13257	2.7
163.11205	3.6
163.14877	1.3
165.12683	2.2
169.12234	1.6
171.11644	2.0
173.11737	8.6
173.13284	3.6
175.11154	1.4
175.14781	1.2
181.12247	1.7
185.13300	1.2
187.13194	1.5
187.14777	1.8
193.12199	3.0
211.13312	4.3
213.14833	3.5
223.73201	1.0
227.12645	1.2
229.14261	1.2
243.15988	2.5
255.15894	4.9
259.20538	2.2
261.22171	3.8
267.15851	1.1
285.17020	4.2
287.18567	24.5
317.24725	1.4
335.25842	26.7
336.26129	1.5
337.27350	6.0
379.30063	1.6
397.31140	1.7
415.31888	1.2
423.32428	2.2
471.34686	2.8
489.35776	100.0
490.35956	3.8
503.37112	4.9
515.37305	14.0
529.38971	1.3
547.39984	85.8
548.39905	4.0
744.46552	6.2
745.40607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01873	1.7
55.05267	0.9
55.05516	15.3
57.03190	1.0
57.03440	9.7
57.07072	1.3
59.05001	0.8
61.02918	1.5
65.03927	2.1
67.05508	34.4
69.03428	3.2
69.07068	12.7
69.94181	3.7
71.04987	3.0
71.08632	1.4
79.05061	1.2
79.05497	18.2
81.03422	32.5
81.07060	34.8
83.04980	9.6
83.08146	1.0
83.08625	16.6
85.02424	1.2
85.02907	13.6
85.06547	1.7
91.05483	15.3
93.07045	15.4
95.04974	15.3
95.08610	23.3
97.02889	3.0
97.06517	3.0
97.10163	5.3
99.08103	0.8
105.07040	14.0
107.04968	3.3
107.08605	8.4
109.06541	2.3
109.10155	8.7
111.04469	1.5
111.08083	6.5
113.05971	1.5
115.05451	1.2
117.06983	1.6
119.08589	10.8
121.06503	1.5
121.10155	8.1
123.08092	1.4
123.11725	4.4
125.09655	2.1
129.06978	5.1
131.08566	5.8
133.06538	1.1
133.10136	7.8
135.11693	2.6
137.13220	1.1
139.11208	0.9
142.07765	1.0
145.10136	1.8
147.08046	1.5
147.11705	8.8
149.09602	3.7
151.11107	0.8
157.10144	6.7
161.13220	0.9
163.11235	1.6
165.12810	1.7
175.11208	6.0
184.07414	1.4
193.12254	25.4
200.29361	0.7
201.24609	0.7
211.13293	39.8
227.12828	2.1
241.95894	0.8
249.14859	0.9
263.23682	2.2
267.15918	7.7
283.15503	1.8
284.15817	1.0
285.16977	34.9
286.17255	1.7
337.27399	40.8
338.27789	2.0
339.28085	1.0
489.35910	0.9
529.38782	8.6
547.39960	100.0
548.40222	5.9
601.07013	0.8
744.46252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
56.96572	0.9
57.03441	0.9
61.02927	0.9
61.51990	0.5
67.05499	2.2
69.03419	1.7
69.07058	0.7
70.06597	1.6
71.04989	0.8
71.55375	0.8
73.02934	1.0
79.05488	1.3
81.03416	2.3
81.07053	1.8
83.04955	0.8
83.08611	0.7
85.02897	1.9
91.05463	1.4
93.07053	1.2
94.16225	0.7
95.04980	0.7
97.02885	1.5
97.06536	0.8
98.97617	0.7
101.02380	0.8
105.07056	1.6
107.08624	1.0
109.10169	0.9
112.99188	1.1
119.08595	1.1
121.10157	0.7
127.04020	0.9
133.10168	0.8
145.02736	0.6
147.04384	1.3
147.11772	0.7
163.04012	0.9
177.05536	1.1
192.11455	0.6
193.12236	0.9
224.22322	0.6
240.99409	0.6
243.08371	0.7
246.78648	0.6
252.28879	0.6
267.09045	7.0
271.08310	0.8
283.15271	0.9
285.10013	4.6
309.10162	1.2
443.30466	0.6
467.18942	1.8
485.16574	4.0
501.23032	3.0
677.28131	1.0
727.34686	1.6
745.34497	100.0
746.34967	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	745.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03839	0.6
53.04036	0.8
53.87408	0.5
55.05395	0.8
55.05622	1.2
57.03292	0.9
57.03581	1.5
58.77166	0.6
61.02755	2.8
61.03104	3.1
65.04089	0.7
67.05311	4.4
67.05727	3.4
69.03239	1.7
69.03651	1.7
69.06936	0.7
70.06442	1.2
70.06777	0.9
70.88858	1.1
70.89196	0.9
71.01235	0.7
71.01580	0.6
73.02713	2.5
73.03174	2.0
79.05289	1.9
79.05779	1.5
81.03206	3.8
81.03756	2.2
81.06841	2.4
81.07378	1.4
83.04825	0.8
83.05234	0.7
83.08454	1.4
83.08846	0.6
83.52883	0.6
85.02689	5.1
85.03265	2.3
87.04319	0.8
91.03724	2.9
91.05260	2.6
91.05869	1.1
93.06831	1.6
95.04771	1.4
95.08381	2.0
97.02653	5.1
97.03339	1.7
97.06356	1.0
99.04298	1.1
101.02148	1.8
103.03789	0.6
105.06763	2.1
107.04783	1.1
107.08380	1.4
107.09016	0.6
109.02689	1.3
109.09903	6.0
109.10708	1.5
111.07919	0.9
117.06792	0.8
119.08310	2.0
121.09949	1.1
127.03627	2.1
129.06807	0.9
133.09943	1.3
147.04134	2.0
147.05283	1.1
147.11508	1.1
149.09377	1.3
157.09949	1.3
163.03709	0.9
163.10907	1.1
171.26584	0.6
173.11449	2.2
173.12738	0.7
175.11015	1.3
191.10437	0.7
193.11940	1.8
195.09773	1.3
203.05014	0.7
229.14091	1.2
243.08525	3.0
251.12228	1.0
267.08667	0.8
283.14938	1.8
285.16870	0.7
301.08911	1.0
353.92676	0.7
355.15250	0.8
385.18295	0.8
413.17874	12.5
467.18918	1.2
469.20605	8.9
485.19916	1.7
501.23163	4.7
580.24829	0.6
641.31494	100.0
642.31860	4.6
673.34888	1.1
687.35577	1.7
695.33282	0.9
699.35553	1.8
701.37445	0.9
727.34198	3.1
745.35687	50.4
746.36084	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	745.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01871	1.2
55.05513	2.2
56.96576	0.7
57.03430	2.6
59.05014	1.2
61.02927	4.7
67.05518	4.8
67.44379	0.7
69.03432	2.4
69.07072	1.2
70.06590	1.6
71.04993	1.8
71.55312	0.8
73.02917	3.0
79.05499	2.9
80.51552	0.7
81.03425	6.6
81.07060	3.9
83.01414	0.8
83.04987	1.7
83.08614	2.1
85.02909	5.6
85.06523	0.7
91.03972	2.9
91.05504	3.6
93.07048	4.0
95.04972	2.2
95.08595	1.5
97.02896	4.7
97.06568	1.6
99.04468	0.8
101.02383	1.6
103.03985	0.7
105.07041	2.8
107.04948	1.1
107.08620	2.1
109.02887	1.4
109.10195	2.0
119.08627	2.3
121.06474	0.8
121.10153	2.3
125.09654	0.6
125.63314	0.6
127.03939	2.0
129.05504	1.0
129.06976	1.0
131.08620	1.5
133.10129	2.1
135.11731	1.0
145.10046	0.8
147.04425	1.9
147.11705	2.2
149.09663	1.3
158.71272	0.7
163.03969	1.3
163.11186	1.2
185.04298	1.7
187.03999	0.9
193.12308	1.2
194.12483	0.6
203.05280	0.7
207.13560	0.7
241.12146	0.7
243.08496	2.1
267.09155	1.2
267.11969	1.1
267.16116	1.1
283.15189	5.2
285.10037	1.0
301.09091	5.5
315.10620	1.2
323.18439	2.1
373.11356	1.7
381.18976	3.1
383.17050	1.0
385.18484	2.7
413.17865	2.2
427.19592	4.2
441.21173	0.9
465.28656	0.9
467.19131	1.7
469.20508	1.9
472.92972	0.8
483.22238	0.9
485.20096	4.5
499.21686	2.1
501.23172	15.0
516.22095	0.8
529.22528	5.2
553.71881	0.7
573.24945	3.6
587.27216	0.8
613.32422	1.5
615.29846	1.0
641.31409	6.8
643.33167	2.0
655.28162	0.8
673.34259	3.8
687.35718	5.2
695.32172	1.8
706.28375	0.7
707.92700	0.8
727.35187	5.1
745.35504	100.0
746.35773	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01878	0.4
55.05519	1.4
57.03444	1.3
61.02928	4.6
61.12047	0.2
67.05514	5.0
69.03438	3.0
69.07075	0.8
69.39536	2.1
71.01359	0.4
71.04996	0.5
73.02921	3.8
79.05501	4.0
81.03436	1.8
81.07066	4.1
83.04992	0.4
83.08632	0.8
85.02927	3.6
87.04482	0.3
91.03962	2.6
91.05487	1.9
93.07053	4.2
95.04961	0.6
95.08614	4.8
97.02909	4.3
97.06517	0.4
97.10173	0.4
98.20709	0.3
99.04482	0.9
101.02397	1.4
104.82304	0.2
105.07046	1.2
107.04982	0.4
107.08607	2.6
109.02913	0.6
109.10163	1.1
115.03941	0.3
117.07044	0.9
119.08600	1.2
121.10160	2.0
122.00157	0.3
127.03929	1.1
131.08562	0.4
133.10170	0.7
134.01736	0.3
135.11699	3.8
138.89401	0.3
144.24663	0.3
145.10127	1.7
147.11674	0.4
148.12007	0.3
163.11191	4.2
181.12317	1.1
185.04230	0.5
219.10072	0.6
227.12764	3.0
227.14615	0.3
243.08437	2.4
249.11006	10.6
305.13684	2.4
310.71002	0.3
335.25851	0.7
467.12381	0.6
467.18967	11.9
519.29370	5.5
546.38849	0.3
547.39093	0.4
548.39545	0.5
745.41376	100.0
746.41650	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	745.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01876	0.5
55.05521	1.5
57.03448	1.6
57.07061	0.2
61.02641	0.4
61.02936	5.6
65.03954	0.4
65.30145	0.2
67.05170	0.4
67.05512	5.1
69.03434	3.0
69.07085	1.4
69.31365	2.0
71.01368	0.4
71.04991	0.6
72.33969	0.3
73.02925	3.7
74.31584	0.2
77.77637	0.2
79.05507	3.7
80.05777	0.2
81.03437	1.4
81.07072	4.6
83.08628	0.5
85.02917	5.1
85.06590	0.3
87.04483	0.4
91.03969	3.1
91.05492	2.2
93.07053	3.8
95.04990	0.6
95.08623	4.4
97.02916	4.5
97.06543	0.6
99.04479	0.8
100.61562	0.2
101.02393	1.8
103.03957	0.2
104.81866	0.2
105.07057	1.1
107.04962	0.4
107.08616	2.9
109.02884	0.7
109.10187	0.9
111.08105	0.2
115.03937	0.5
117.07056	0.5
119.08600	1.2
121.10163	1.8
123.11722	0.3
125.87234	0.2
126.72064	0.2
127.03922	1.2
131.08588	0.8
133.10178	0.6
135.11713	2.4
145.10149	1.4
147.11691	0.2
149.13301	0.4
153.12904	0.3
159.11688	0.3
159.15118	0.2
163.11188	1.3
163.47786	0.2
184.07402	0.3
185.04291	0.7
203.05217	0.3
204.02647	0.2
219.10051	0.2
227.12842	1.1
243.08348	1.7
249.11005	10.7
305.13562	1.1
333.53305	0.2
335.26047	0.8
336.26309	0.3
467.18994	4.9
467.25333	0.3
473.92102	0.2
519.29437	8.2
583.36340	0.4
745.41412	100.0
746.41687	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	747.3779
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03955	0.8
55.05517	0.7
56.96553	0.5
57.03442	1.7
59.05002	0.9
61.02931	3.3
67.05506	2.5
69.03434	2.6
69.07079	1.3
70.61338	0.4
70.78851	1.1
71.01374	0.8
71.05006	1.1
73.02924	2.4
74.94563	0.4
78.15099	0.4
79.05520	3.3
81.03432	5.8
81.07069	2.7
83.08645	1.3
85.02918	4.0
85.06573	0.5
87.04482	0.6
91.03975	2.6
91.05499	3.3
93.07060	3.1
95.05018	1.8
95.08631	1.8
97.02927	2.8
97.06544	1.0
99.04496	1.1
101.02408	1.4
105.07056	2.0
107.04961	0.7
107.08643	1.5
107.58668	0.5
109.02890	0.6
110.96498	0.5
111.04486	0.5
111.08088	0.7
119.08626	1.6
121.10161	2.1
123.08131	0.6
127.03957	2.0
129.07040	1.5
131.08545	2.3
133.10143	1.0
138.50493	0.5
139.11209	1.0
147.08076	0.5
147.11781	1.6
149.09647	2.8
154.10435	0.4
157.10228	1.2
163.03920	0.5
167.10855	0.5
175.11232	1.2
185.04266	0.6
193.12360	1.9
225.15102	0.6
241.43527	0.5
243.08458	2.7
267.16055	1.5
269.13663	1.4
283.15274	3.5
307.15369	0.5
325.16553	0.6
336.49176	0.4
339.18335	0.4
408.72003	0.5
443.18979	7.7
469.20667	3.2
487.21637	6.8
501.23166	12.9
501.30341	0.8
563.32208	0.6
573.25153	0.6
646.99091	0.5
657.30475	1.7
703.35193	2.4
729.36359	2.2
747.37836	100.0
748.37836	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	747.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01865	0.5
55.05519	1.5
57.03448	2.0
57.07079	0.3
61.02932	5.1
65.03963	0.3
67.05510	4.5
68.52222	0.2
69.03441	3.1
69.07086	1.1
69.77048	1.3
70.06596	0.5
71.01368	0.5
71.04997	0.5
73.02927	3.9
79.05501	3.4
81.03432	3.8
81.03866	0.4
81.07065	4.5
83.08624	1.0
85.02914	6.1
87.04482	0.4
91.03973	2.9
91.05487	3.6
93.07046	3.2
95.04972	1.4
95.08615	2.9
97.02900	4.7
97.06570	0.4
97.10176	0.3
99.04468	1.0
101.02375	1.9
103.03983	0.5
105.07029	2.5
107.04977	0.4
107.08599	2.1
109.02899	0.8
109.10152	1.1
111.08116	0.5
115.03977	0.4
117.07050	0.3
119.08572	1.6
121.10136	1.5
123.11737	0.4
127.03945	1.6
129.05478	0.2
129.06976	0.6
131.08606	1.0
133.06503	0.3
133.10132	1.4
135.11812	0.4
137.09628	0.3
145.05060	0.3
145.10114	0.3
147.11737	1.0
149.09660	0.5
157.10185	0.9
159.11761	0.3
175.11235	0.9
177.11409	0.2
177.13210	0.2
180.87369	0.2
183.06664	0.2
184.07394	1.0
185.04205	0.6
185.07756	0.2
193.12331	0.9
203.05237	0.2
211.13402	0.4
243.08388	1.6
251.12590	1.1
258.48688	0.3
266.14944	0.3
269.12384	0.3
307.15115	0.4
327.95789	0.3
335.25909	0.5
469.20505	8.0
469.27161	0.5
470.21078	0.3
519.29370	4.7
644.87476	0.3
687.73895	0.2
747.42938	100.0
748.43402	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	747.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.05531	2.0
57.03440	1.9
57.07072	1.3
61.02929	5.1
67.05514	5.8
69.03437	3.5
69.07080	3.0
69.27746	3.4
69.28152	0.6
71.01346	0.7
71.08613	0.6
73.02930	4.4
79.05491	3.6
81.03430	2.1
81.07069	6.5
83.08622	1.7
85.02920	4.9
85.10202	0.5
87.04494	0.9
89.06053	2.2
90.06423	0.4
91.03957	3.1
91.05496	2.5
93.07053	2.9
95.04969	0.5
95.08608	5.1
97.02911	5.4
97.06551	0.5
97.10170	1.0
99.04473	1.2
101.02393	2.1
103.03954	0.6
105.07042	1.2
107.08595	2.2
109.02883	0.7
109.10177	1.9
119.08616	1.9
121.10158	1.2
122.58617	0.4
123.11665	0.6
127.03899	1.0
131.08514	0.6
133.08640	1.2
133.10176	1.2
135.11722	1.9
145.10143	1.0
149.13197	0.6
163.11194	1.9
177.11234	0.5
181.12302	0.5
184.07378	0.9
202.29439	0.4
227.12886	1.3
243.08342	2.2
249.11018	12.2
305.13705	1.2
337.27371	0.8
337.65979	0.5
467.18979	4.7
469.20813	0.8
521.31018	8.6
567.40900	0.6
747.42969	100.0
748.43121	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	747.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05513	1.5
57.03442	2.1
61.02641	0.4
61.02935	5.6
65.03915	0.4
67.05511	4.4
67.11828	0.3
69.03438	4.3
69.07066	1.3
69.35709	0.3
70.99625	0.4
70.99973	0.3
71.01350	0.5
71.04993	0.8
73.02927	4.5
79.05499	4.3
81.03425	3.3
81.07066	4.5
81.51331	0.3
83.08617	1.1
85.02908	6.8
87.04472	0.7
91.03957	3.5
91.05495	2.7
93.07059	4.5
95.04966	0.9
95.08620	3.7
97.02901	6.2
97.06521	0.3
97.10136	0.3
99.04486	1.0
101.02387	1.8
105.07037	1.7
107.04988	0.4
107.08596	1.9
109.02911	1.0
109.06570	0.4
109.10175	1.3
115.03997	0.3
117.07030	0.8
119.08587	1.3
121.10164	1.8
123.11754	0.4
127.03922	1.7
129.07018	0.7
131.08621	1.0
133.10175	0.9
135.11728	1.1
136.59303	0.3
143.52965	0.3
145.05048	0.4
145.10187	0.4
147.11752	0.9
149.13292	0.6
157.10115	0.7
163.14813	0.4
168.67639	0.3
184.07477	0.5
185.04237	0.6
193.12175	0.4
203.05312	0.4
243.08394	1.9
251.12616	1.0
259.70395	0.3
269.12231	0.3
335.25891	1.0
337.57834	0.3
469.20514	4.1
519.29358	8.6
583.82648	0.3
747.42944	100.0
748.43195	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05510	1.3
57.03435	1.9
61.02936	6.1
61.29851	0.4
61.76541	0.4
67.05508	4.8
69.03432	3.5
69.07082	1.0
71.24975	1.1
73.02930	3.3
76.09995	0.4
79.05499	3.6
81.03429	3.6
81.07062	4.2
83.08636	1.1
85.02915	7.6
86.60390	0.4
89.06006	0.5
91.03946	2.4
91.05517	2.2
93.07045	4.1
95.04994	1.3
95.08625	3.0
97.02904	5.1
99.04436	0.6
101.02394	1.6
103.03872	0.5
105.07043	1.8
107.05006	0.4
107.08609	2.1
109.02892	1.0
109.10186	1.2
110.80068	0.4
115.03913	0.5
117.07059	0.4
119.08616	1.2
121.10178	1.7
127.03965	1.2
131.04736	0.5
131.08594	0.5
133.10153	0.8
147.11691	0.9
185.04291	0.9
193.12308	1.2
203.05273	0.6
211.13393	1.1
220.82518	0.4
243.08426	1.9
249.11061	0.6
251.12579	4.7
289.22330	0.4
307.15277	0.5
321.96103	0.5
335.26065	0.6
469.20590	5.2
519.29236	7.7
520.29669	0.5
718.23578	0.5
747.42896	100.0
748.43317	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05513	2.0
57.03447	2.1
58.40681	0.4
61.02931	3.8
62.31717	0.5
67.05509	4.8
69.03437	3.2
69.07069	1.9
69.94477	2.3
70.06598	0.9
71.01345	0.5
71.04969	0.7
72.54958	0.4
73.02921	4.0
79.05508	3.7
81.03425	4.6
81.07068	5.0
83.08624	1.3
85.02921	5.5
87.04483	0.7
87.84677	0.5
87.90967	0.5
91.03969	2.2
91.05472	2.9
93.07055	2.9
95.04969	1.9
95.08623	3.3
97.02908	3.2
97.06547	0.6
99.04447	0.8
101.02394	2.0
105.07042	1.9
107.08624	1.4
109.10191	1.2
111.08096	0.6
119.08610	1.6
121.10175	1.8
127.03957	1.0
127.76016	0.5
131.08606	1.5
133.10155	1.0
135.11732	0.5
141.54744	0.5
147.11711	1.0
157.10156	1.1
159.64566	0.6
175.11201	1.0
193.12299	2.2
211.13356	1.3
243.08380	2.3
249.87833	0.4
251.12593	3.0
287.15060	0.6
307.14984	0.7
335.25714	0.6
338.27853	0.7
469.20566	8.4
519.29413	5.5
550.38361	0.6
747.42908	100.0
748.43268	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	749.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01881	0.8
55.05509	2.8
57.03449	2.5
57.07085	2.1
57.14838	0.4
61.02932	5.8
65.03963	0.6
67.05510	9.2
69.03437	3.9
69.07075	2.2
71.01368	0.5
71.04991	2.7
71.08644	1.2
73.02925	4.5
78.37059	0.4
79.05492	4.7
81.03427	5.3
81.07064	6.0
83.05001	0.5
83.08621	2.3
85.02912	7.1
85.10181	0.7
87.04480	0.9
91.03967	4.0
91.05481	4.1
93.07060	4.5
95.04974	2.2
95.08616	5.9
97.02899	6.1
97.06542	0.7
98.21626	0.9
99.04475	1.1
101.02395	2.4
102.29865	0.4
103.03950	0.6
105.07047	1.6
107.04964	0.5
107.08606	2.6
109.02895	1.1
109.06541	0.6
109.10168	4.7
110.67175	0.4
111.08069	0.8
115.03894	0.5
117.07032	0.7
119.08592	1.9
121.10147	2.1
123.11758	1.1
127.03925	2.0
129.07079	0.5
131.08583	1.2
133.10161	0.8
135.11736	1.8
137.09665	0.8
138.58092	0.4
141.90671	0.3
145.10109	0.7
149.09711	0.5
149.13303	0.5
159.11725	0.5
173.13199	0.4
184.07423	0.5
185.04236	0.7
193.12311	1.5
194.12682	0.4
195.00417	2.0
203.05217	0.4
229.14487	1.0
229.28151	0.4
243.08455	1.6
251.12537	0.4
253.14270	1.2
267.15878	2.7
309.16663	0.9
313.27353	4.1
335.26035	1.2
350.46503	0.5
469.20471	1.1
471.22083	3.6
487.33893	2.9
505.38931	2.1
519.29327	8.2
521.31049	1.0
553.59058	0.5
659.35583	1.5
749.44507	100.0
750.44891	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	749.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01861	0.7
55.05506	2.7
57.03439	2.5
57.07080	2.9
60.40913	0.6
61.02934	4.9
67.05517	6.1
69.03459	2.8
69.07072	2.1
71.01380	0.7
71.05019	0.8
71.08643	1.9
73.02921	2.5
79.05494	3.0
81.03429	9.8
81.07064	6.3
83.04999	1.0
83.08627	2.6
85.02916	6.2
85.10198	1.3
86.09691	0.7
90.55989	0.6
91.03970	1.9
91.05496	3.1
93.07063	2.9
95.04974	3.1
95.08628	5.1
97.02892	3.8
97.06596	0.8
97.10191	1.0
98.21499	1.8
99.04478	1.2
101.02407	1.6
105.07078	2.5
107.08622	1.7
109.02911	1.5
109.10176	3.0
111.08070	1.4
112.63741	0.6
113.93502	0.5
119.08610	2.2
121.10168	1.1
123.11729	0.8
124.26397	0.6
127.03873	0.9
129.07010	1.1
131.08632	0.9
133.10164	1.2
147.11743	1.8
157.10147	1.4
160.11316	0.8
175.11229	1.8
184.07339	1.4
193.12256	5.3
211.13428	1.6
235.13344	0.7
239.23784	1.0
243.08490	2.1
245.62527	0.6
251.12656	2.9
267.15936	4.5
300.10974	0.6
307.15277	1.0
313.27417	6.4
469.13788	1.1
469.20450	10.0
487.34683	0.9
493.17480	1.6
505.39005	3.3
521.30847	4.7
539.29022	0.9
545.64215	0.6
547.40784	0.6
579.33093	0.8
610.23145	0.6
700.44751	0.7
749.44452	100.0
750.44855	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	751.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.2
55.01892	0.1
55.05503	0.3
56.96556	0.2
57.03447	0.7
63.02358	0.1
65.03943	1.7
67.05493	0.4
69.07054	0.2
71.01373	0.2
71.55004	0.2
79.05489	0.4
79.66126	0.1
81.03410	0.5
81.07057	0.4
85.02924	0.2
88.76681	0.1
91.05486	15.5
92.05807	0.3
93.07038	0.1
95.04971	0.2
95.08609	0.2
97.02905	0.2
97.06541	0.4
97.09519	0.1
99.00832	0.7
105.07041	0.2
107.04967	0.2
109.10150	0.2
117.07048	0.1
119.04949	35.5
120.05228	0.4
145.10129	0.2
147.04416	100.0
148.04744	1.5
161.02391	0.2
161.06039	0.1
163.03902	0.2
173.04491	0.1
187.04004	0.2
215.06960	0.1
221.08096	8.6
222.08536	0.2
259.09796	0.2
267.09210	0.1
267.16058	0.2
283.15491	0.3
285.09927	0.1
319.08185	1.3
339.75943	0.1
367.11780	2.8
393.11816	1.0
445.37305	0.1
476.27771	0.1
539.15521	39.3
540.16034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.05516	5.4
57.03442	12.9
57.06824	1.6
57.07082	25.7
67.05512	15.3
69.07076	7.2
69.23023	9.0
71.04996	1.7
71.08640	19.5
79.05499	9.6
81.03426	55.6
81.07063	17.4
83.04969	2.5
83.08625	18.1
85.10188	11.3
89.06036	1.4
91.05489	9.4
93.07047	4.2
95.04974	16.4
95.08617	14.1
97.02877	2.3
97.06502	1.4
97.10177	5.0
103.07642	1.3
104.10312	1.1
105.07047	8.2
107.04960	4.9
107.08603	1.7
109.06521	2.7
109.10163	8.7
110.81763	0.9
111.04404	1.3
111.08111	4.9
119.08597	9.1
121.06480	1.7
121.10149	2.9
123.04382	1.3
123.11702	3.3
129.06071	1.2
129.06998	7.9
131.08554	4.5
133.10121	2.2
137.13367	1.6
142.07820	1.4
147.08049	1.6
147.11700	5.0
149.09657	3.3
157.10106	6.5
163.11230	0.9
165.12807	1.4
175.11174	6.0
193.12263	21.8
205.12428	1.3
211.13362	1.6
229.14424	1.2
236.39940	0.9
237.39473	0.9
239.23734	1.7
249.14828	2.4
255.46545	1.1
257.24731	1.8
267.15936	100.0
268.16190	1.7
301.14438	1.5
309.17014	1.7
313.27393	94.7
314.27728	2.4
505.38931	85.3
506.39206	3.5
541.63385	1.1
547.39709	2.5
601.40570	1.1
623.27905	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	753.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.8
53.33895	4.5
55.01874	13.5
55.05518	30.8
56.01390	4.7
56.04140	3.9
57.03448	24.6
63.83034	4.8
65.03988	4.1
67.05510	100.0
67.18677	4.5
69.03432	24.3
69.07076	19.8
71.01356	7.4
71.04982	10.0
71.54926	5.0
79.05491	40.9
81.02978	8.2
81.03423	90.7
81.07055	37.0
82.46223	4.3
83.01312	4.3
83.04984	24.3
83.08627	23.9
85.02921	51.1
85.06573	5.8
91.05492	36.6
93.07057	32.5
95.04982	32.0
95.08635	15.7
97.02899	21.1
97.06506	12.6
97.10171	19.3
105.07051	31.1
107.04957	15.8
107.08578	22.4
109.02888	18.3
109.06536	9.7
109.10155	49.2
111.04449	10.6
111.08076	12.2
119.08582	17.6
121.06522	7.1
121.10168	17.8
123.04404	8.6
125.09661	21.4
127.03923	15.1
129.07002	11.3
131.05009	5.9
131.08569	7.8
133.10176	11.0
135.08078	5.1
135.11684	6.4
145.10211	10.4
147.08083	7.0
147.11699	16.2
157.10153	7.9
163.11150	10.9
173.04503	9.5
173.09639	8.1
173.11769	9.3
175.11235	18.6
181.12270	7.4
182.89532	5.0
184.07455	4.8
193.12250	32.8
211.13292	34.2
227.12726	11.4
229.14354	28.6
230.12131	5.5
267.16101	9.9
285.17001	10.9
309.17062	8.9
439.26956	41.5
463.26859	5.5
515.52588	5.1
753.40033	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.05269	2.3
55.05515	39.5
57.03439	13.4
57.06820	2.9
57.07080	35.8
59.04992	1.8
65.03921	2.1
67.05511	59.6
67.42282	1.6
69.03449	2.0
69.07071	13.8
71.08640	29.3
71.55579	2.4
79.05493	20.6
81.03408	6.0
81.07060	25.7
83.04987	3.8
83.08621	22.1
83.47700	1.8
85.02914	18.0
85.10184	15.3
87.04458	7.6
91.05477	6.7
93.07034	7.1
95.05000	2.9
95.08611	28.3
97.02909	2.9
97.06507	2.3
97.10177	26.2
105.07024	3.9
107.04945	2.3
107.08610	10.1
109.06548	2.5
109.10161	43.2
110.64755	1.8
111.08083	3.1
119.08646	5.0
121.10126	2.8
123.11676	4.5
125.09645	24.9
127.78210	1.8
133.10176	2.4
134.23381	1.7
135.11719	4.2
137.09567	1.9
143.10658	5.4
145.10136	3.6
153.12785	3.0
155.10616	3.2
163.11160	5.0
169.73543	1.8
173.11761	11.0
199.13335	16.4
209.11760	3.1
217.14511	2.4
227.12752	10.8
229.14386	41.0
239.23735	7.7
283.15414	2.3
301.16443	27.7
313.27383	100.0
314.27762	3.4
319.17365	4.6
341.27005	2.1
344.40018	1.9
437.36215	5.4
455.37466	17.8
467.37338	24.4
539.39215	11.0
557.40637	4.6
718.35046	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	754.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01859	3.1
55.05271	2.8
55.05517	33.7
55.50235	1.4
57.03192	1.6
57.03442	19.1
57.07082	34.5
59.04980	4.4
61.02919	3.4
62.95660	1.3
65.03948	2.2
67.05511	55.2
68.05835	1.9
69.03428	3.2
69.07068	12.6
71.04997	3.3
71.08642	24.5
71.54798	1.5
79.05499	17.2
81.03408	5.1
81.07061	33.2
83.04969	4.8
83.08627	16.6
85.02904	14.2
85.06545	2.7
85.07696	1.8
85.10190	12.5
86.09691	5.5
87.04495	7.0
89.06017	1.5
91.05467	9.2
93.07047	10.7
95.04954	4.6
95.08620	27.3
97.02922	4.0
97.10167	21.2
105.07035	4.2
107.04937	2.3
107.08610	12.3
109.10163	41.8
111.08086	1.6
117.06976	2.0
119.08572	6.4
121.10107	4.6
123.11706	3.0
125.00002	2.9
125.09645	22.8
131.08589	2.7
133.10139	1.6
135.11743	2.7
137.09599	2.6
137.13222	1.9
143.10704	3.6
145.10089	3.6
155.10701	2.8
163.11169	3.0
173.11794	11.6
173.13084	2.6
184.07370	8.1
191.10594	1.7
199.13277	14.8
203.89818	1.5
209.11807	2.4
227.12836	7.7
229.14366	44.6
239.23666	3.8
257.24551	2.1
265.14343	1.7
267.15897	2.1
283.15280	3.2
297.16953	3.8
301.16516	17.6
313.27383	100.0
314.27756	2.7
335.25891	7.3
341.26984	2.0
355.64526	1.6
433.52319	1.5
437.36218	7.4
455.37354	12.8
467.30685	1.9
467.37350	29.8
489.35574	2.3
529.35010	1.7
539.39264	10.4
557.38550	4.3
755.45557	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	754.497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01857	3.3
55.05263	2.7
55.05511	35.9
55.80067	1.3
57.03445	18.8
57.07080	37.0
59.04995	3.6
61.02908	4.3
65.03945	3.2
67.05508	71.1
67.65115	1.6
69.03413	4.1
69.07073	12.5
69.24733	13.8
71.01347	1.8
71.04991	2.9
71.08634	20.8
73.02895	1.9
79.05495	26.6
81.03411	6.2
81.07058	41.3
83.04979	5.2
83.08618	22.8
85.02908	16.1
85.10195	10.8
86.09706	4.9
87.04450	5.4
91.03944	1.9
91.05479	14.2
93.07040	17.1
95.04956	7.4
95.08608	26.2
97.02879	4.3
97.06514	4.1
97.10181	21.7
105.07034	6.0
107.08593	14.4
109.10162	43.4
111.08065	4.7
111.11668	1.7
117.07001	4.7
119.08542	7.6
121.06470	2.9
121.10124	6.3
123.11695	4.6
125.00005	2.8
125.09634	19.0
131.08580	4.1
133.10069	4.0
135.11674	5.4
137.41409	1.5
143.08498	2.0
143.10660	4.9
145.10114	4.4
147.11667	2.1
149.13229	2.2
153.12666	1.8
155.10617	2.4
159.11728	3.4
163.11185	1.7
173.11766	10.3
181.12123	1.5
184.07341	12.4
189.11098	2.1
191.10643	1.7
199.13306	9.7
209.11745	2.3
223.13333	7.7
227.12720	4.5
229.14359	59.0
239.23727	2.8
257.13959	2.6
257.24850	2.8
261.22098	2.3
283.15283	2.0
297.16968	19.0
301.16425	21.2
311.11447	2.0
313.27386	100.0
335.25790	15.7
413.93640	1.7
437.36124	5.1
455.37399	13.1
459.20709	1.7
467.37366	30.7
524.28265	1.6
529.34875	1.9
539.39514	12.3
557.38678	9.2
648.17773	1.6
664.46820	1.7
754.28839	4.3
754.43329	3.1
755.44818	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	756.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01866	2.9
55.05516	13.5
57.03440	5.3
61.76205	0.8
62.06092	0.8
67.05169	1.3
67.05510	14.5
69.03420	2.8
69.07082	5.0
71.04984	3.6
79.05058	1.3
79.05502	17.4
81.03425	43.3
81.06645	1.2
81.07066	14.4
83.04963	4.0
83.08626	15.4
85.02892	1.0
85.06551	2.1
91.05487	13.3
93.07051	12.3
95.04974	17.1
95.08622	7.5
97.02874	1.9
97.06518	2.9
97.10171	12.1
102.52235	1.0
103.05445	1.0
105.07043	11.6
107.04972	10.7
107.08614	10.5
109.06525	7.0
109.10182	6.0
111.04453	1.7
111.08066	3.4
117.07060	4.7
119.08599	10.0
121.06533	8.2
121.10171	6.1
123.04425	1.1
123.08064	3.2
125.09639	13.3
127.07598	1.0
129.07057	6.2
131.04912	1.5
131.08574	7.7
133.06491	3.7
133.10135	5.1
135.04482	1.0
135.08047	5.1
135.11679	2.5
137.09599	2.2
139.90691	0.9
142.07785	1.4
143.08524	2.0
145.06540	5.5
145.10162	4.2
147.04393	0.9
147.08038	3.6
147.11702	5.1
149.09624	3.1
153.09125	3.5
153.12778	1.0
155.08528	1.4
157.06441	1.4
157.10141	6.2
159.08023	2.4
160.35851	1.0
163.11177	3.4
167.10655	1.0
169.10110	2.0
171.08102	1.4
171.10167	2.9
171.11601	1.8
173.09541	1.1
173.13257	1.0
175.11215	6.2
177.04012	0.9
177.12773	1.2
181.10129	1.0
185.09663	1.2
185.13310	1.3
187.11194	1.4
189.09523	1.2
189.11209	6.0
189.12735	1.7
191.14339	1.0
193.12256	14.0
195.11618	0.9
199.11253	1.3
199.13232	1.1
201.12613	1.0
205.12315	1.2
211.13254	1.3
215.14351	2.1
217.12297	1.2
219.13835	2.7
223.13200	1.5
227.12646	1.5
228.48424	0.9
231.13673	1.0
233.13153	1.1
233.15399	3.5
237.12753	1.8
239.14137	0.9
249.14789	1.6
255.13829	2.0
259.13235	1.9
267.15939	37.0
273.14783	5.6
293.17523	1.8
312.48083	1.0
338.93356	0.9
339.23206	2.5
349.21790	5.2
357.24341	2.3
367.22681	14.3
385.23776	23.9
403.24802	8.3
405.24124	1.0
423.25568	1.2
441.26508	9.1
459.27469	100.0
460.27756	5.1
477.28519	81.3
478.28757	4.0
491.29999	11.8
501.28427	1.7
509.31192	5.9
541.33276	1.2
567.29633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.4
53.03951	4.9
54.28147	0.6
55.01880	4.0
55.05518	20.2
57.03184	1.0
57.03445	12.3
57.07073	1.7
59.05000	1.8
61.02929	4.2
65.03926	2.2
67.05511	49.7
69.03424	2.6
69.07075	11.5
69.26009	5.8
71.01351	1.6
71.04988	2.5
71.08651	0.9
73.02896	1.5
77.03899	0.6
79.05501	34.4
81.03435	3.6
81.07065	53.8
83.04990	2.9
83.08626	11.4
85.02905	4.6
85.06551	3.4
91.03934	1.2
91.05489	32.3
93.07053	46.4
95.04996	6.5
95.08618	34.7
97.02910	5.8
97.06554	3.7
97.10164	2.9
99.00835	16.8
99.08086	0.9
101.02444	0.7
103.05438	1.4
105.04517	0.7
105.07043	23.3
107.04973	5.1
107.08607	22.1
109.02889	12.1
109.06548	3.4
109.10165	17.9
111.04471	0.8
111.08089	4.8
115.03918	2.2
115.05497	0.8
117.07033	6.5
119.08595	15.8
120.99839	0.6
121.06528	6.9
121.10159	14.2
123.04456	1.9
123.08062	2.2
123.11713	6.1
125.09644	1.5
127.03911	2.7
128.06264	1.1
129.06978	1.1
131.08565	9.5
133.06494	2.6
133.10146	38.8
135.08075	1.3
135.11702	11.9
137.06032	0.8
137.09634	2.3
137.13255	1.6
139.07539	2.5
143.08606	5.7
145.06474	0.7
145.10121	7.7
147.08086	1.3
147.11671	5.2
149.09662	1.1
149.13266	5.9
151.11201	10.4
153.06947	1.0
159.11673	4.9
161.09630	17.0
161.13316	3.3
163.14781	3.5
165.09100	1.0
171.08057	3.1
173.13306	5.0
175.14836	1.0
179.10709	7.8
179.14268	0.7
181.12192	0.8
187.14853	1.9
189.09146	8.4
189.10864	1.0
197.11769	2.5
207.10190	3.8
225.09071	0.8
225.11232	14.8
227.12708	1.4
243.12303	2.5
243.21130	5.3
259.20566	0.9
261.22183	19.9
281.13885	4.0
299.14917	85.2
300.15268	2.8
315.23206	3.1
317.24814	3.8
335.25833	100.0
336.26151	4.1
449.30435	1.6
467.31570	4.1
485.32712	2.4
513.35718	2.1
515.37030	0.9
531.36908	1.6
541.35339	5.5
559.36365	46.5
560.36566	1.9
577.37183	1.1
580.86334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	3.9
53.03944	4.0
55.01876	3.4
55.05516	20.6
55.91677	0.6
57.03195	0.8
57.03444	12.1
57.07069	1.2
59.04990	1.8
61.02928	3.9
65.03935	2.2
67.05508	45.7
69.03446	3.1
69.07070	9.0
69.23338	2.6
69.23770	3.2
71.01353	1.5
71.04992	1.7
73.02914	2.1
79.05495	28.5
81.03415	4.4
81.07064	43.3
83.04979	2.9
83.08627	12.8
85.02915	2.9
85.06541	1.6
91.03960	2.3
91.05487	28.1
93.07049	38.0
95.04961	5.4
95.08613	28.2
97.02887	5.2
97.06542	3.7
97.10153	1.9
99.00822	15.8
99.04476	1.0
99.08083	1.6
103.05491	1.7
105.04563	0.8
105.07039	22.6
107.04955	5.1
107.08601	19.7
109.02888	11.2
109.06503	3.3
109.10165	15.9
111.04422	1.9
111.08094	4.7
113.05981	0.8
115.03926	2.7
115.05486	0.9
117.07033	6.6
119.04946	1.0
119.08588	13.9
121.06522	5.9
121.10158	13.5
123.04440	1.4
123.08088	1.9
123.11713	6.5
125.09677	1.1
127.03904	2.7
128.06270	1.8
129.07013	1.1
131.08574	6.5
133.06517	1.7
133.10136	37.5
135.08069	1.8
135.11711	8.9
137.05988	1.7
137.09676	1.1
137.13225	1.3
139.07545	2.1
143.08583	4.5
145.06473	1.2
145.10139	4.3
147.08038	0.9
147.11699	4.1
149.13339	3.8
149.33528	0.9
151.11185	10.5
151.14897	1.0
159.11700	4.1
161.09639	14.7
161.13260	2.8
163.14799	2.5
171.08066	3.6
173.13254	4.2
175.14816	1.1
179.10666	9.7
187.14857	1.6
189.09113	8.2
197.11810	3.2
207.10194	4.1
225.11256	13.9
227.12680	1.5
243.12387	3.9
243.21083	5.9
259.20630	0.8
261.22159	16.3
277.21698	1.7
281.13928	3.2
299.14908	100.0
300.15289	2.3
315.23199	2.6
317.24808	3.0
335.25833	78.0
336.26111	2.9
348.16034	0.7
421.30893	1.0
439.32016	0.9
449.30496	1.9
466.12769	0.7
467.31653	4.8
485.32642	2.0
513.35724	2.8
531.36920	1.2
541.35345	4.7
559.36328	29.1
560.36633	1.7
577.37183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05518	1.2
57.03436	1.8
57.07078	2.8
59.05025	0.5
61.02931	4.4
63.63456	0.4
67.05521	2.4
69.03448	2.1
69.07096	1.1
69.86488	2.1
71.01379	0.5
71.05006	0.9
71.08635	1.6
73.02923	3.9
79.05502	1.6
81.03430	4.2
81.07063	3.3
83.08635	1.7
83.74796	0.4
85.02925	4.6
85.10210	1.0
91.03983	2.3
91.05505	2.2
93.07064	1.8
95.04963	1.1
95.08605	2.8
97.02907	4.6
97.06511	0.5
99.04479	0.7
101.02401	1.3
105.07067	1.4
107.08633	1.2
109.02907	1.2
109.10177	1.4
111.08063	0.5
119.08614	1.4
121.10182	1.7
127.03954	1.3
129.06998	0.9
131.08578	0.9
133.10175	1.0
147.11676	0.7
149.09680	2.0
157.10136	1.0
175.11269	0.8
185.04242	0.8
193.12314	1.4
239.23648	0.6
243.08440	2.1
267.15979	1.0
283.15167	4.7
313.27365	1.2
324.39526	0.5
339.17920	1.1
483.37637	0.4
497.30835	5.5
501.23108	14.3
502.24106	0.8
660.24921	1.6
661.25012	0.4
757.47125	100.0
758.47211	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	757.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01899	0.6
55.05532	1.6
57.03441	1.3
57.07077	4.2
59.05016	0.7
61.02932	5.0
67.05513	2.7
67.67187	0.6
69.03424	3.0
69.07082	1.0
71.04993	1.2
71.08635	2.4
72.22448	0.6
73.02943	3.1
79.05496	3.2
81.03436	3.1
81.07078	3.8
83.05009	0.8
83.08625	1.4
85.02915	5.7
85.06561	0.6
85.10182	1.4
91.03970	3.1
91.05500	2.4
93.07066	1.9
95.04979	0.9
95.08623	2.5
97.02916	4.6
97.10191	0.9
99.04515	1.0
100.00249	0.6
101.02408	1.9
105.07055	1.1
107.08624	1.6
109.02865	1.1
109.10183	0.8
111.08109	0.6
119.08612	1.4
121.10202	1.7
127.03936	1.6
129.05522	0.6
129.07039	0.6
131.08598	1.5
133.10204	1.1
145.93376	0.5
147.11748	1.6
149.09683	1.8
157.10168	1.2
158.86891	0.7
175.11340	0.9
193.12349	1.4
243.08495	1.9
246.48273	0.6
273.41064	0.6
283.15189	4.4
324.15152	0.6
339.17853	0.9
441.21274	0.8
497.30981	5.2
501.23102	11.3
531.36755	1.2
660.25793	2.4
757.47076	100.0
758.47485	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	757.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05506	1.5
57.03433	1.9
57.07077	2.0
59.27091	0.5
59.30597	0.5
61.02932	6.1
67.05505	4.0
69.03432	3.7
69.07080	1.7
69.36253	2.6
69.36678	1.4
71.05003	1.5
71.08642	1.8
73.02925	5.1
79.05486	3.2
81.03429	3.5
81.07065	5.0
83.04994	0.8
83.08625	1.9
85.02910	5.5
85.10183	1.1
86.09722	2.0
87.04524	0.8
91.03960	4.1
91.05479	2.6
93.07079	2.8
95.04954	1.6
95.08604	4.7
97.02889	4.5
97.06535	1.1
97.10174	0.6
99.04469	1.6
101.02396	1.8
103.03943	0.8
105.07047	2.2
107.04981	0.6
107.08615	1.7
109.02901	1.5
109.10107	1.3
115.03963	0.7
119.08588	1.6
121.10176	2.2
123.08186	0.5
123.11759	0.8
125.00035	1.6
127.03927	1.1
129.07060	0.6
130.29327	0.5
131.08597	1.2
133.10132	1.7
147.11693	1.0
149.09677	0.8
157.10310	0.7
163.11218	0.8
175.11217	0.7
179.14368	0.7
181.10095	0.5
184.07336	6.7
185.04192	0.8
185.07695	0.9
193.12474	0.8
203.05348	0.6
221.15242	0.7
225.14923	0.7
243.08472	1.9
261.14496	0.6
267.15976	0.8
283.15314	3.9
286.75742	0.5
313.27499	1.1
368.05554	0.7
469.20773	1.0
479.22684	2.0
497.30896	6.4
501.23050	9.3
519.07233	0.6
519.29834	1.5
531.36670	1.3
648.98254	0.6
656.26440	0.6
660.25543	0.8
706.19672	0.6
757.46729	100.0
758.46704	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	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
55.01872	8.1
55.05513	22.3
57.03439	21.5
57.07067	2.9
59.05007	2.3
61.02924	7.6
62.67652	1.5
65.03941	3.3
67.05511	75.1
69.03446	1.9
69.07070	25.4
70.70537	5.3
71.01353	2.7
71.05006	4.5
77.93586	1.7
79.05060	3.9
79.05501	60.8
81.03426	19.6
81.07063	73.0
83.01341	3.3
83.04984	19.4
83.08632	14.1
85.02910	11.0
85.06551	3.6
91.05487	37.6
93.07048	74.5
95.04972	14.5
95.08047	3.3
95.08617	47.7
97.02904	12.1
97.06541	11.3
97.10186	6.2
99.04475	3.4
99.08095	1.8
105.07037	27.6
107.04961	14.3
107.08602	39.5
109.06535	7.5
109.10155	23.7
111.04436	12.4
111.08094	6.2
113.05982	3.0
117.07017	15.9
119.08583	21.4
121.06519	3.5
121.10143	24.9
123.08049	6.2
123.11703	5.7
125.05966	2.5
125.09637	4.1
129.07033	5.9
131.05011	1.7
131.08594	18.8
133.10141	17.8
135.08018	5.0
135.11691	32.9
137.09651	3.1
143.08542	3.9
145.06508	2.3
145.10136	34.1
147.08118	3.4
147.11697	8.9
149.09633	6.5
149.13255	5.6
151.11133	2.5
153.12772	15.3
155.08582	4.5
157.10246	2.6
159.11751	9.8
159.12926	1.9
161.09698	3.1
161.13272	6.4
163.11198	25.9
163.14883	5.2
169.10138	1.8
171.11726	3.2
173.09688	8.0
173.11880	2.4
173.13300	9.2
179.10706	2.1
181.12282	7.7
183.11688	2.0
189.11139	2.4
191.10646	11.5
209.11760	32.3
221.32841	2.0
227.12726	17.0
243.21088	3.5
253.14287	2.0
259.20645	2.1
261.22131	14.6
283.15411	50.2
297.22025	2.3
299.14978	3.0
301.16470	62.1
302.16888	2.5
315.23447	3.0
317.24869	4.4
333.24390	2.9
335.25827	100.0
336.26196	4.6
433.31088	5.0
451.32047	8.5
469.33185	7.6
487.34109	3.0
507.34851	3.4
525.35822	15.2
543.36865	75.4
544.36938	3.3
561.37872	58.0
561.46539	2.8
608.68610	2.2
728.03632	2.5
749.19257	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	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73523	1.8
53.03938	6.6
53.78947	1.7
55.01855	5.8
55.05514	24.8
57.03442	16.8
57.07063	4.3
61.02915	7.7
65.03941	5.8
67.05508	95.8
67.05876	4.6
69.03423	3.8
69.07069	28.4
69.24811	8.5
69.25234	8.5
71.01325	2.5
71.04987	5.6
73.02911	1.9
75.79821	1.9
77.85113	1.8
79.05492	67.8
81.03407	4.7
81.07059	72.6
83.04971	13.4
83.08627	14.3
85.02892	7.8
85.06525	4.8
91.03945	2.1
91.05489	50.6
93.07049	78.1
95.04984	15.8
95.08610	55.2
97.02878	10.8
97.06525	12.0
97.10175	8.1
105.06389	2.9
105.07035	35.4
107.04971	13.5
107.08595	43.5
109.06503	8.0
109.10162	31.3
111.04443	13.5
111.08055	7.1
111.11719	2.3
113.05965	2.6
115.05471	2.0
117.07018	21.7
119.08578	29.2
121.06509	5.7
121.10150	29.1
123.04417	2.7
123.08035	4.6
123.11710	6.9
125.09619	3.4
129.07039	9.1
130.07837	3.8
131.08583	25.4
133.06493	4.3
133.10136	29.6
135.08104	4.4
135.11691	30.5
137.09618	5.5
143.08559	11.7
145.06541	3.2
145.10114	28.7
147.08038	5.4
147.11687	15.3
149.09584	10.1
149.13278	8.1
151.11192	5.3
153.12730	2.7
155.08545	5.8
155.10677	2.2
157.10072	9.7
159.11684	13.1
161.09656	5.3
161.13246	7.1
163.11192	16.6
163.14879	2.2
169.10078	4.2
171.11682	5.4
173.09665	9.7
173.11937	2.1
173.13219	12.0
175.11179	5.3
175.14775	4.1
179.10683	2.4
181.10126	2.9
183.11673	4.2
184.07335	4.9
185.13310	5.3
187.14764	5.0
189.12788	3.1
191.10628	7.7
193.12209	3.4
199.14804	3.8
209.11708	20.9
209.13432	3.0
211.14890	3.0
223.14830	2.6
227.12762	7.5
227.16466	5.6
229.14345	3.6
239.18109	1.9
243.21057	3.3
253.14420	3.8
255.15866	5.2
259.20728	2.7
261.22150	10.0
265.14255	2.3
271.20508	3.0
272.86172	2.2
273.22083	7.0
283.15414	70.0
285.16971	2.6
297.22046	2.7
299.20203	3.8
301.16379	13.2
301.21552	3.4
313.21384	2.5
315.23218	7.9
317.21249	4.1
317.24664	3.3
331.22372	2.0
333.24341	4.7
335.22049	3.1
335.25851	51.9
336.26334	2.1
363.25415	3.3
373.23889	2.6
391.24719	1.9
423.32431	3.5
433.30786	7.9
435.26730	2.3
451.32013	12.4
469.33249	10.9
474.99509	2.3
487.34442	4.1
507.34518	2.5
515.37195	4.6
525.35785	25.6
543.36835	100.0
544.36829	4.0
561.37793	29.0
562.37701	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	758.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
53.06020	1.2
55.01881	8.9
55.05261	1.7
55.05514	21.8
55.79038	1.1
57.03442	14.7
57.07069	1.9
59.04997	2.1
61.02922	4.5
65.03931	3.6
66.36645	1.1
67.05510	67.6
69.03420	3.2
69.06715	1.7
69.07063	16.9
71.01349	4.0
71.05004	6.1
73.02913	1.8
77.03920	1.4
79.05499	60.8
80.86385	1.2
81.03426	23.1
81.07062	68.3
83.01331	4.1
83.04993	18.0
83.08616	9.6
85.02917	8.4
85.06551	2.3
91.05486	29.6
93.07052	70.7
94.02250	1.5
95.04969	10.0
95.08611	47.1
97.02905	9.8
97.06529	10.7
97.10172	5.9
99.04435	2.8
99.08084	1.8
103.05476	1.6
105.07038	21.1
107.04964	13.4
107.08603	35.6
108.08919	1.9
109.02926	1.4
109.06506	3.9
109.10164	18.7
111.04453	10.0
111.08086	5.2
117.06998	13.2
119.08576	24.1
121.06499	3.0
121.10148	35.6
123.08047	5.9
123.11713	4.4
125.05981	2.0
125.09628	3.0
128.06235	1.3
129.06987	2.6
130.07785	2.3
131.08585	17.1
133.10147	12.2
135.08064	3.2
135.11705	28.6
137.09621	4.9
137.13268	1.8
139.11165	4.9
143.08574	3.7
145.06474	1.4
145.10129	23.0
147.08078	3.5
147.11678	7.5
149.09601	3.0
149.13255	5.0
153.12755	14.3
155.08516	4.6
157.10127	2.1
159.11708	6.0
161.13268	4.9
163.09833	2.2
163.11191	34.0
163.14886	3.3
173.09644	7.2
173.13286	3.7
175.14812	2.7
181.12219	10.5
185.11678	2.3
186.00536	1.4
187.14841	3.2
191.10677	12.0
201.16513	1.7
209.11731	22.6
217.96794	1.2
227.12805	16.8
229.40938	1.3
243.21103	3.5
245.13853	9.3
259.20816	1.5
261.22189	15.0
265.14270	5.1
283.15430	28.6
299.23697	2.5
301.16470	73.2
302.16742	1.5
317.24759	3.7
335.25821	100.0
336.26007	3.3
377.35681	1.2
433.31113	1.9
451.31958	4.3
469.33209	3.3
525.35675	6.8
543.36835	37.0
544.36639	1.6
561.37878	89.4
562.37799	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
53.03947	3.2
55.01862	2.5
55.05518	15.3
57.03447	7.2
57.07071	3.1
61.02926	3.2
62.25621	1.1
65.03938	2.9
67.05512	67.0
69.03426	3.4
69.07077	13.2
70.78705	3.5
71.05000	22.4
72.62009	1.2
73.02892	1.3
77.39622	1.2
79.05499	39.6
81.03425	1.8
81.07064	100.0
83.04983	5.3
83.08636	8.7
85.02910	4.2
85.06551	7.8
91.03959	1.2
91.05487	28.5
93.07056	40.3
95.04964	4.4
95.08611	28.1
97.02892	3.7
97.06535	4.9
97.10180	2.3
98.50216	1.1
103.60323	1.2
105.07034	16.7
107.08600	22.0
109.06512	2.4
109.10158	12.7
111.08106	1.6
117.07011	6.6
119.08599	9.4
121.10152	18.0
123.08170	1.2
123.11724	13.6
125.09665	2.1
131.08580	8.8
133.10158	17.9
135.11707	9.9
139.11195	1.5
145.10159	5.5
147.11688	5.3
149.13251	5.0
151.11212	7.2
159.11723	7.8
159.83133	1.1
161.13300	3.5
163.11232	1.2
169.12326	1.6
173.13272	1.4
175.14833	1.3
177.12724	1.5
183.13742	2.3
185.13240	1.1
187.13348	2.9
187.14812	1.7
195.13858	2.1
227.16452	1.9
229.14301	1.7
257.17572	2.5
261.22174	3.3
269.17422	6.9
283.19037	1.3
301.20108	19.4
335.25821	25.5
336.26169	1.6
485.35950	2.9
503.37363	83.9
504.37839	5.4
517.38794	5.2
529.38959	15.3
561.41571	75.4
561.48627	1.3
561.50452	2.7
562.41565	4.0
758.44824	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	759.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64989	0.9
56.96566	8.5
71.12122	1.0
71.53948	1.3
75.13905	1.0
77.41466	0.9
77.80521	0.9
84.96033	5.8
85.02899	1.5
98.97587	64.3
110.96828	1.7
110.97578	26.1
112.99134	1.0
116.98634	22.3
124.16534	0.9
124.99101	1.4
128.98616	26.2
131.00188	1.2
134.99648	3.5
140.98619	7.5
143.00168	11.2
146.99683	9.7
152.98598	3.6
158.98318	1.4
158.99657	26.8
161.01224	8.1
170.99663	44.3
172.22630	1.0
173.01228	1.3
177.00719	15.8
182.99652	21.3
189.00732	28.3
194.99586	1.3
195.01781	1.2
201.00725	54.7
207.01799	3.1
213.00732	4.2
219.01785	43.3
231.01781	5.8
237.02831	19.0
242.03323	0.9
243.01770	24.0
254.99301	2.2
261.02841	100.0
262.03259	2.5
273.00354	2.7
273.02841	8.3
279.03894	41.9
291.03900	13.7
302.05624	2.3
303.04095	1.5
309.05060	1.7
321.04938	31.9
333.04861	4.2
345.05182	1.1
351.06015	10.6
363.05612	1.8
381.07037	16.1
399.08139	12.4
417.04739	77.7
418.04907	1.6
435.05762	7.5
441.09198	89.2
442.09625	2.0
453.09195	2.2
458.07458	1.6
471.10217	2.1
501.11176	6.4
543.12152	3.0
582.82739	1.0
667.97498	1.0
723.17664	1.5
732.38879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01868	3.4
55.05273	1.7
55.05514	25.1
57.03442	21.3
57.07076	3.2
61.02946	2.2
67.05508	75.1
69.03418	5.6
69.07065	16.3
71.04980	2.4
74.70322	1.9
79.05493	58.0
81.03420	97.9
81.07062	72.7
83.04977	8.7
83.08624	21.6
85.02893	4.1
85.06555	2.3
91.05485	44.4
93.07044	58.7
95.04971	34.8
95.08613	54.4
97.02875	3.7
97.06516	5.7
97.10164	6.7
98.20730	4.4
105.04510	2.1
105.07037	33.8
107.04955	9.3
107.08605	27.2
109.06515	4.8
109.10152	23.1
111.08073	9.1
115.05453	2.8
117.07043	9.3
119.08592	34.2
121.06496	6.4
121.10144	32.4
123.08060	4.4
123.11690	6.5
124.99973	2.1
125.09638	8.6
129.07043	12.4
131.08562	22.7
133.06491	3.2
133.10138	14.3
135.08076	3.2
135.11682	13.4
137.09592	3.0
142.07796	4.7
143.08514	3.5
145.10112	13.5
147.08064	4.6
147.11679	15.5
149.09605	5.4
149.13278	6.3
155.08615	2.8
157.10168	12.7
159.11702	6.8
161.13208	6.2
163.11166	3.7
163.14874	3.6
171.11647	2.8
173.13258	9.3
175.11218	9.5
175.14824	2.1
177.16379	2.7
184.07355	5.4
187.14841	2.2
189.11263	4.6
193.12222	26.6
193.15700	1.9
211.13281	2.0
219.88824	2.0
227.12782	7.0
229.48637	2.0
235.13284	2.6
243.20903	3.4
249.14752	2.7
261.22156	23.1
267.15915	100.0
268.16183	3.4
285.16949	3.2
301.25269	6.9
309.17035	2.7
317.24783	5.2
335.25821	95.7
336.25992	3.5
359.25589	2.3
408.29230	2.2
421.25375	2.8
435.32495	7.9
453.33423	6.4
471.34952	3.9
527.37390	60.6
528.37762	4.6
545.38464	46.2
546.38666	3.5
569.38086	3.7
573.87537	2.4
676.05353	2.0
744.89063	2.3
760.42694	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	760.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85643	1.5
55.05500	4.4
57.06826	2.5
57.07081	35.1
59.07588	1.6
63.86560	1.5
67.05502	3.6
68.59055	1.4
69.03396	1.3
69.07053	6.2
71.08637	31.1
71.55013	2.0
73.06568	10.1
74.09700	1.4
77.53880	1.4
81.07045	2.4
83.08620	4.6
85.10189	20.4
87.04482	11.7
89.06036	100.0
91.05476	1.5
93.07058	1.3
95.08585	2.2
97.10169	7.1
99.11752	2.9
107.07066	2.4
111.11739	3.0
117.09138	10.2
125.13292	2.3
130.08664	3.5
131.07057	3.8
133.08609	55.6
141.16368	1.8
161.11705	1.5
164.62189	1.4
175.09711	3.3
177.11221	21.9
184.07329	3.0
221.13817	3.3
224.28764	1.5
241.25192	1.5
285.27716	3.7
329.30444	3.9
630.48499	1.6
707.23151	1.6
722.39856	1.8
760.47174	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	761.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01869	0.7
55.05494	0.7
57.03419	0.5
61.02913	0.8
61.83723	0.4
65.03921	0.6
67.05504	0.7
68.99801	0.5
69.03433	5.0
70.06599	4.5
70.15000	1.5
71.01303	0.5
71.04972	1.5
72.36371	0.3
73.02892	1.1
75.04463	0.6
81.02991	0.5
81.03426	6.8
81.07045	0.4
81.45406	0.4
83.04961	1.1
85.02915	11.1
91.05489	0.5
93.03386	0.4
93.07034	0.4
97.02893	6.6
98.03677	0.5
99.03853	0.6
99.04463	8.8
103.03959	6.0
107.08585	0.6
109.02890	8.4
109.10140	0.5
111.04439	3.1
113.02382	0.4
113.06031	0.5
115.03933	0.6
116.23910	0.3
124.01635	0.5
125.05999	2.6
127.03928	19.5
128.04681	1.4
135.04378	0.8
137.02357	0.7
139.02931	0.6
139.03922	7.2
141.05484	2.6
145.04976	5.4
153.01863	4.9
155.03407	6.4
163.03932	0.5
163.06017	0.8
166.89861	0.4
169.04997	1.8
170.05768	21.5
171.06445	1.3
181.02597	0.4
182.03629	0.8
187.05989	1.9
203.03441	0.7
210.03139	1.0
229.04922	1.0
229.07170	0.4
241.04903	0.6
242.05794	0.4
250.06540	0.4
253.04974	0.8
254.17868	0.5
257.04471	11.1
258.05252	7.4
258.71210	0.4
259.06113	0.5
259.09692	0.4
269.04425	1.0
271.08163	1.3
277.04822	0.4
278.05853	0.7
279.06564	0.8
285.04004	1.0
286.04733	16.1
287.05527	56.5
288.05789	1.0
295.06036	0.4
297.04047	1.3
306.05182	2.3
307.06042	1.0
308.06772	0.5
310.04724	0.9
312.02628	0.6
313.03461	0.4
323.05505	0.5
327.05063	0.8
333.03961	1.3
334.04724	6.9
335.05615	3.0
336.06064	0.7
337.03461	0.8
339.05032	1.0
347.05612	1.0
361.03604	1.0
362.04233	41.7
363.04959	6.2
364.05685	0.7
377.06604	31.8
378.07025	2.3
379.08316	1.1
381.06357	0.6
390.03729	0.9
391.04446	0.9
394.06937	1.0
395.07690	1.8
405.06091	26.7
406.06168	0.8
407.07703	0.5
409.09268	2.4
422.06445	1.5
423.07111	13.0
424.07382	0.5
437.08746	41.0
438.09137	1.9
455.09787	100.0
456.10284	3.4
497.10919	0.7
599.36023	0.5
617.15186	0.6
742.39490	0.5
743.40063	0.5
761.34393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
57.03456	0.5
61.02924	0.7
61.49194	0.5
67.05507	3.5
69.07059	0.7
73.10769	0.5
79.05484	2.2
80.13406	0.6
81.03450	1.0
81.07062	2.9
82.60345	0.5
83.05001	0.6
83.08591	0.8
85.02888	0.6
91.05491	1.9
93.07051	1.9
95.04974	0.5
95.08617	2.5
105.07047	1.3
107.08566	1.0
109.10143	1.2
121.10194	1.2
133.10176	0.9
145.10161	0.6
152.46112	0.5
214.51927	0.6
217.02493	0.6
229.36047	0.6
301.16544	0.6
337.27551	1.1
338.27628	0.7
400.24188	0.6
519.29572	0.8
525.18384	0.6
535.26740	1.6
546.39087	1.0
564.39972	0.9
602.15851	0.6
696.12646	0.7
761.38751	100.0
762.39166	6.9
787.02734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
55.05523	1.4
57.03452	2.9
59.05008	1.1
61.02931	4.1
67.05529	3.0
67.05823	0.6
67.88940	0.5
69.03436	2.6
69.07080	0.9
70.09146	1.7
71.04999	2.4
73.02922	3.4
79.05488	3.5
81.03424	6.7
81.07069	4.3
83.04959	0.7
83.08639	1.3
85.02907	4.7
87.04482	0.8
87.67905	0.6
91.03971	2.3
91.05495	4.0
93.07070	2.8
95.04987	2.3
95.08645	1.4
97.02914	4.1
97.06588	1.2
99.04457	1.1
101.01809	0.5
101.02410	2.2
105.07066	2.3
107.05003	0.7
107.08630	2.0
111.08115	0.9
115.03944	0.7
119.08607	2.2
121.10152	2.6
124.59291	0.6
127.03965	1.4
129.07060	1.5
131.08571	2.7
132.53674	0.6
133.10170	1.6
147.11697	2.6
149.09645	3.3
157.10188	1.9
175.11240	1.8
193.12209	2.8
225.14937	1.1
238.24663	0.5
243.08495	3.5
261.01050	0.6
267.16028	1.5
283.15195	6.7
294.37015	0.6
339.17947	2.5
469.20456	1.3
501.23111	30.3
502.23575	1.2
599.34503	1.1
761.39362	100.0
762.39526	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	761.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01868	0.9
55.05509	2.1
57.03439	1.9
61.02932	6.9
63.79911	0.4
63.94461	0.4
65.75547	0.5
67.05507	6.4
69.03447	4.3
69.07066	2.2
71.01356	0.6
71.05006	0.7
73.02927	4.7
76.19180	0.5
79.05504	4.9
80.05865	0.5
81.03418	2.9
81.07062	6.9
83.04993	0.5
83.08627	1.1
85.02901	6.6
86.09723	0.8
87.04482	0.6
91.03958	4.1
91.05492	4.5
93.07070	4.9
95.04980	1.1
95.08612	5.2
97.02893	6.3
97.10138	0.6
99.00809	0.6
99.04488	1.3
99.08099	0.8
101.02393	1.8
105.07027	3.1
107.08607	3.3
108.08948	0.6
109.02896	1.4
109.09520	0.5
109.10132	2.3
111.08096	0.6
115.03981	0.6
117.07020	0.7
119.08607	2.2
121.10151	2.8
123.11750	0.9
125.00018	0.6
127.03912	2.3
131.08604	1.1
133.10144	2.3
135.11716	1.8
136.33868	0.5
136.70979	0.5
145.10153	0.9
147.11661	0.9
151.11325	0.6
161.09627	1.1
161.13322	0.5
173.13289	0.6
184.07359	3.1
185.04324	0.8
188.47870	0.5
203.05231	0.5
243.08461	1.3
261.22104	0.7
265.09531	1.1
283.10425	1.1
294.99460	0.4
301.16556	1.0
301.20029	1.0
335.25925	1.6
337.27280	0.7
338.27844	0.6
394.83157	0.4
475.42847	0.5
483.17929	4.1
497.30792	0.7
516.79413	0.5
519.29309	9.9
562.38501	0.5
599.35760	1.0
761.40802	100.0
762.41156	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	761.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01872	0.8
55.05518	2.4
57.03445	3.6
57.07083	0.6
61.02936	7.9
67.05167	0.7
67.05509	9.0
68.05814	0.6
69.03442	5.3
69.07071	2.2
71.01331	0.4
71.05006	1.0
71.55943	0.7
73.02928	5.0
79.05501	6.7
80.21891	0.4
81.03435	4.3
81.07066	8.8
83.05004	0.7
83.08630	1.9
85.02914	8.1
86.09712	1.1
91.03975	4.4
91.05487	5.1
93.07063	5.6
93.70585	0.5
94.07425	0.5
95.04982	1.3
95.08618	7.2
97.02895	7.0
97.06522	0.7
97.10168	0.8
99.04475	1.3
101.02359	2.0
103.03930	0.6
105.04585	0.5
105.07053	2.9
107.04937	0.9
107.08602	3.0
108.08879	0.6
109.02893	2.1
109.06540	1.1
109.10173	2.6
117.07051	0.5
119.08601	1.9
121.06454	0.6
121.10146	3.0
122.10508	0.4
123.11709	1.0
125.00047	1.0
126.98772	0.5
127.03899	2.2
131.08583	1.6
133.10161	2.9
135.11710	1.9
137.09613	0.5
145.10190	1.4
147.11722	0.7
149.13141	0.5
151.11180	0.5
153.12727	0.5
159.11705	0.6
161.09674	1.3
163.11182	0.5
171.08141	0.7
173.13359	0.5
184.07367	4.1
185.04214	0.8
203.05360	0.5
213.66885	0.4
225.11212	0.5
237.09882	0.6
239.11490	0.6
243.08469	1.3
262.22070	0.4
265.09665	0.7
267.15970	1.1
283.10443	1.0
301.16617	0.5
301.20306	0.6
304.99908	0.4
335.25842	1.4
336.26215	0.9
337.27438	0.7
338.27255	0.5
483.18127	4.6
519.29285	10.4
529.38892	0.5
546.38696	0.7
599.35059	0.8
743.41107	0.5
761.40820	100.0
762.41150	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	762.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
55.01862	3.8
55.05518	24.9
57.03441	23.8
57.07071	5.4
60.08154	3.1
61.02913	6.4
62.68256	1.8
65.03935	3.0
67.05509	69.6
69.03411	5.6
69.06728	2.0
69.07074	27.6
70.06594	2.2
71.04985	3.1
71.07371	2.0
71.08634	3.3
73.02903	3.7
79.05074	2.0
79.05500	35.1
81.03422	85.8
81.07060	73.6
83.04977	7.3
83.08142	2.5
83.08622	31.6
85.02885	7.5
85.06559	3.9
86.09707	19.8
87.43311	1.5
91.03954	4.6
91.05486	32.4
93.07048	34.6
95.04974	28.5
95.08055	3.0
95.08613	45.6
97.02891	7.2
97.06544	7.9
97.10179	13.2
99.04411	2.3
99.08104	2.8
101.02383	2.3
103.39577	1.5
105.07040	22.8
107.04945	7.1
107.08601	20.0
109.02844	1.6
109.06511	4.5
109.10152	23.8
111.04427	3.3
111.08057	8.6
111.11705	1.9
114.42193	1.6
117.07020	2.9
119.05080	1.8
119.08592	20.2
121.06503	3.7
121.10154	18.5
123.04470	2.1
123.08077	4.1
123.11713	9.6
125.00008	12.5
125.09627	3.6
127.03949	2.0
129.07040	7.8
131.08574	15.8
133.06485	3.9
133.10121	11.7
135.11707	9.0
137.05960	2.0
137.09610	2.3
137.13229	2.6
141.43382	2.1
145.10150	5.1
147.04317	2.2
147.08034	4.1
147.11702	13.4
149.09625	5.9
149.13243	4.2
157.10127	11.5
161.13261	4.9
163.11166	3.9
163.14868	4.2
165.12674	2.0
173.09659	2.2
175.11168	10.5
175.14822	3.1
184.07353	68.1
184.08990	3.5
193.12245	23.9
211.13281	3.4
222.17456	1.8
227.12776	3.6
229.07355	1.8
245.22603	5.5
263.23755	7.7
267.15927	100.0
268.16208	2.2
285.10101	2.3
293.05609	1.9
303.26746	2.4
309.16913	2.9
317.24695	2.1
335.25848	2.5
337.27393	93.0
338.27512	2.5
437.34055	3.4
455.35474	8.4
473.36230	4.7
485.19720	2.3
519.29236	5.8
529.38922	85.2
530.39124	3.5
547.39990	52.9
565.40631	5.5
571.39801	3.8
712.45276	3.4
718.41888	1.9
745.41156	3.5
762.40613	13.9
763.42200	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	1.3
55.05509	2.3
57.03439	2.2
61.02926	5.4
67.05506	5.0
69.03416	2.7
69.07080	1.3
71.55653	1.8
73.02916	4.2
79.05500	6.0
81.03429	4.0
81.07063	4.5
83.08608	2.6
85.02912	5.7
91.03970	2.4
91.05503	5.0
93.07059	5.2
95.04974	1.9
95.08611	3.2
97.02902	3.3
99.04462	1.4
101.02414	2.4
105.07050	5.2
107.08595	2.8
119.08576	1.5
121.10162	2.7
127.03925	1.7
131.08635	1.7
133.10184	4.2
163.95985	1.3
184.07391	1.4
243.08426	2.4
305.61111	1.6
469.20480	4.6
535.28735	8.0
763.42310	100.0
764.43164	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	763.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01871	0.9
55.05520	2.8
57.03444	2.9
57.07075	0.6
61.02609	0.5
61.02930	9.4
65.03944	0.4
67.05508	9.0
69.03439	5.2
69.07081	2.1
69.25798	1.9
69.26218	2.5
71.01375	1.0
71.04989	0.6
73.02927	7.1
79.05501	7.1
81.03426	3.5
81.07062	9.1
83.05013	1.0
83.08591	0.9
85.02909	8.4
87.04458	0.9
91.03967	5.6
91.05484	4.8
93.07051	7.0
95.05000	1.4
95.08613	6.1
97.02900	8.0
97.06536	0.8
99.04464	1.9
101.02396	2.9
105.07037	3.1
107.04977	0.9
107.08601	4.6
109.02910	2.0
109.06527	0.5
109.10172	1.9
117.07076	1.2
119.08617	1.9
121.10152	2.9
123.11762	0.6
127.03938	2.2
131.08588	1.5
133.10175	1.7
135.11702	3.5
139.73615	0.4
145.10162	2.1
147.11784	0.5
159.11679	0.6
163.11206	2.6
181.12355	0.5
184.07410	1.8
185.04256	1.2
191.10693	0.5
203.05319	0.6
227.12900	1.2
229.09297	0.5
238.87431	0.6
243.08434	4.0
249.11084	9.8
261.22202	0.5
267.11023	1.5
285.11871	1.3
301.20190	1.1
305.13715	0.9
321.59366	0.5
323.13815	0.8
335.25900	1.5
356.57660	0.5
441.17728	0.6
467.18759	5.2
485.19745	2.9
519.29224	13.2
574.59119	0.5
617.15021	0.5
745.41370	42.5
746.41632	3.2
763.42377	100.0
764.42963	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	763.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.43000	0.4
55.01877	1.1
55.05508	1.6
57.03439	2.6
61.02938	6.6
67.05510	6.7
68.05829	0.4
69.03433	4.0
69.07079	2.0
71.01362	0.7
73.02937	3.5
76.18180	0.4
79.05507	3.0
81.03416	3.9
81.07066	5.6
83.04989	0.5
83.08627	1.1
85.02909	4.9
91.03956	3.4
91.05496	2.5
93.07039	4.3
95.04997	1.2
95.08623	4.7
97.02904	5.6
97.06529	0.4
99.04475	1.1
101.02417	2.1
103.03956	0.5
105.07053	1.8
107.08620	2.5
109.02908	0.9
109.10181	2.4
117.07046	0.4
119.08588	1.7
121.10129	2.3
123.11763	0.8
127.03933	1.6
131.08583	1.4
133.10194	0.7
135.11717	1.0
145.05006	0.8
145.10135	0.9
147.11710	0.6
151.80954	0.4
159.11748	0.4
161.13339	0.5
163.11201	1.4
173.09668	0.7
175.76714	0.4
184.07462	1.0
185.04347	0.5
203.05353	0.7
243.08534	1.6
267.12097	2.4
267.15988	1.5
268.16388	0.5
335.26062	1.0
337.27322	1.2
338.27704	0.5
441.17078	2.4
485.20084	2.9
519.29297	8.3
530.39502	1.6
548.40253	0.6
591.27374	0.5
719.39771	2.7
745.41559	1.2
750.74536	0.5
763.42407	100.0
764.42914	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	763.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.01893	0.6
55.05516	5.1
56.72877	0.5
57.03441	4.5
59.36328	0.5
60.08147	0.7
61.02935	8.2
65.03960	1.1
67.05511	12.6
68.05841	1.1
69.03442	4.5
69.07068	3.1
70.06599	0.8
70.57499	1.1
70.57825	0.7
71.04990	1.6
73.02924	5.2
79.05503	7.4
80.05859	0.7
81.03425	13.3
81.07066	12.8
81.07520	1.0
82.03773	1.0
82.07404	1.3
83.05001	1.8
83.08651	3.7
84.08988	0.7
85.02920	7.4
86.09727	2.3
87.04472	0.9
91.03956	4.4
91.05494	6.0
92.05842	0.9
93.07057	8.0
94.07378	0.6
95.04988	4.0
95.08619	9.3
96.08961	0.8
97.02893	7.1
97.06536	0.9
97.10191	1.5
99.04468	2.0
101.02373	2.6
105.07047	4.3
107.04996	1.1
107.08593	4.3
109.02901	1.0
109.06522	1.1
109.10186	4.1
110.10544	0.8
111.04466	1.0
111.08077	1.2
117.07060	1.0
119.08604	3.6
120.08906	0.7
121.06545	0.7
121.10144	3.8
123.08119	0.9
123.11749	1.5
123.86574	0.6
125.00030	2.2
127.03959	2.4
129.07039	0.6
131.08607	1.7
133.10153	2.2
135.11742	2.4
145.04980	0.7
145.10147	2.2
147.08069	0.7
147.11760	1.8
149.09622	0.9
149.13319	0.7
157.10132	0.8
159.11688	0.8
161.13252	0.7
163.11255	2.0
167.53574	0.6
169.56316	0.6
173.09645	1.0
175.11261	1.4
184.07373	10.0
185.04233	0.7
185.07692	1.1
191.10727	1.0
193.12175	1.2
194.12679	1.2
209.11850	0.8
243.08482	2.3
267.12292	2.0
267.15936	7.0
268.16318	3.7
335.25989	0.9
337.27548	3.8
338.27753	5.6
441.17264	4.0
455.88812	0.6
467.18961	1.1
485.19757	5.1
519.29425	7.6
529.39124	1.9
530.39417	5.8
547.40247	0.9
548.40521	4.2
560.27521	0.6
719.40302	2.0
726.50293	0.6
745.41223	3.7
763.42383	100.0
764.42664	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	763.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01855	1.0
55.05517	4.2
57.03447	3.8
61.02928	4.6
65.11716	0.5
67.05511	11.2
68.05833	0.7
69.03432	3.6
69.07065	4.0
69.89030	1.4
69.89436	2.6
71.05012	1.2
71.69762	0.5
73.02920	3.9
77.01787	0.6
79.05496	7.4
81.03424	11.7
81.07063	11.9
82.03764	1.4
82.07391	1.1
83.04981	1.4
83.08629	4.4
85.02914	7.0
86.09708	1.1
91.03965	4.3
91.05486	5.4
93.07047	7.0
95.04983	4.1
95.08610	8.9
96.05329	0.6
96.08971	0.7
97.02886	5.3
97.06541	0.9
97.10171	1.4
99.04458	1.6
101.02397	1.9
105.07034	3.3
107.04945	1.2
107.08609	4.1
108.58015	0.7
109.02905	1.5
109.06544	0.7
109.10183	3.6
111.04475	0.7
111.08132	1.1
115.03919	0.8
117.06992	1.1
119.08589	3.8
121.10149	3.5
123.11726	1.3
124.12065	0.6
125.00022	0.9
125.09647	0.6
127.03950	2.0
129.07045	2.0
131.08585	2.0
133.10161	2.1
135.11691	3.8
137.09628	1.5
140.40076	0.6
145.04918	0.7
145.10115	1.3
147.11717	1.2
149.09653	0.8
157.10223	1.0
159.11780	0.7
163.11165	0.8
175.11180	0.9
184.07362	5.4
185.04285	0.8
185.07823	0.7
193.12292	1.7
194.12564	0.6
209.11780	0.9
213.95149	0.7
225.34003	0.5
232.33734	0.6
234.88354	0.8
237.31557	0.9
243.08441	2.4
267.15881	6.8
268.16202	3.7
272.43149	0.6
335.25830	0.9
337.27325	6.5
338.27835	4.8
411.19943	1.1
467.19089	2.8
485.19946	2.8
518.01031	0.7
519.29266	6.5
529.38885	2.3
530.39374	6.2
547.40344	1.7
548.40210	4.3
745.40991	6.1
763.42181	100.0
764.42578	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	763.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
57.03435	1.9
61.02931	8.0
65.97551	0.7
67.05515	6.8
69.03431	3.4
69.07082	1.8
70.13285	2.8
71.05004	3.2
73.02928	4.7
79.05511	4.4
81.03434	2.9
81.07063	8.0
83.04993	1.0
83.08648	1.1
85.02902	5.2
85.07686	0.6
91.03964	3.5
91.05502	4.1
93.07053	4.2
95.08608	4.6
97.02911	5.2
98.21532	0.6
99.04492	1.1
101.02393	1.8
105.04504	0.8
105.07069	2.3
105.86675	0.6
107.08626	3.0
109.10188	2.1
114.14828	0.6
117.07062	1.4
119.08617	1.3
121.10179	1.9
123.11713	1.0
127.03960	1.8
131.08612	1.3
133.10172	1.5
135.11757	1.2
137.59607	0.6
145.10049	0.7
149.13226	0.7
201.23227	0.6
243.08588	2.5
267.15833	2.2
294.39923	0.5
335.26047	1.0
485.23514	4.8
519.29376	9.4
659.04913	0.7
692.73877	0.7
717.41809	1.3
741.11145	0.7
763.46136	100.0
764.46533	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	767.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
57.03437	1.5
58.42342	0.5
58.54578	0.5
61.02940	4.7
67.05505	5.9
69.03438	3.9
69.07082	3.0
70.12460	1.1
70.12850	1.5
71.01358	0.7
72.71633	0.5
73.02922	3.7
77.85355	0.5
79.05505	3.6
81.03408	3.3
81.07063	6.3
83.05000	0.8
83.08640	1.4
85.02914	6.9
86.09716	0.6
91.03962	3.4
91.05484	2.4
93.07058	3.4
95.08600	4.1
97.02906	4.8
97.06547	0.5
101.02395	1.8
105.07024	1.7
107.08591	1.7
109.02913	0.9
109.06547	0.5
109.10176	1.9
111.08114	0.8
119.08604	1.6
121.10137	2.8
125.00061	1.0
127.03944	2.1
131.08585	1.3
133.06619	0.5
133.10184	1.4
135.11746	1.0
139.11177	0.9
147.11720	0.7
149.09628	1.1
157.10155	0.6
158.27551	0.5
184.07408	2.7
185.04286	0.9
205.80522	0.5
225.10950	0.9
243.08472	2.6
244.37340	0.6
251.12598	0.9
269.13699	2.2
299.47964	0.5
337.27493	1.1
387.36713	0.5
443.19031	3.9
468.79291	0.5
469.20319	3.0
487.21579	5.3
521.30872	9.1
546.93298	0.6
723.43164	1.8
749.43604	2.4
767.45557	100.0
768.46222	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	768.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05521	6.9
56.39703	1.5
57.03433	4.3
57.07069	1.6
63.60780	1.5
67.05183	1.6
67.05511	21.5
69.07080	6.8
69.39548	3.1
69.39960	9.4
71.05001	2.0
71.08627	1.7
73.02872	1.7
79.05501	15.2
81.03402	1.9
81.07067	20.1
83.08620	4.8
89.72632	1.1
90.74603	1.2
91.05495	11.2
93.07053	20.3
94.71573	1.1
95.04972	4.4
95.08614	22.4
96.08875	1.3
97.06519	1.5
97.10172	1.5
100.90996	1.2
105.07038	6.6
107.04955	2.8
107.08595	14.8
109.06516	1.4
109.10171	5.5
117.07030	3.4
119.08569	5.5
121.06561	1.6
121.10191	9.4
131.08539	2.7
133.10150	4.5
135.11722	18.9
145.10136	11.7
147.11690	1.8
149.13246	2.7
159.11620	1.7
161.13278	2.3
163.11200	25.1
181.12230	5.2
184.07370	2.5
196.35985	1.8
227.12796	56.6
243.21147	3.2
261.22174	8.9
283.15424	67.7
285.01758	1.5
317.24890	2.2
335.25833	100.0
336.26044	4.5
429.74994	1.8
543.36896	69.7
544.37286	4.6
627.45679	2.0
698.69836	1.5
753.07507	1.3
768.46307	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	768.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.6
57.03440	6.2
57.07071	4.9
61.56421	2.0
67.05517	18.2
69.07078	6.9
70.58606	5.0
70.58988	4.6
71.08640	3.8
79.05508	21.5
81.03416	6.6
81.07060	18.9
83.05006	3.9
83.08636	5.8
91.05488	9.9
93.07047	23.2
95.04986	6.2
95.08127	2.8
95.08622	27.2
97.02885	4.7
97.06516	3.6
105.07046	6.4
107.04978	4.6
107.08603	20.6
109.06547	2.6
109.10130	5.6
117.07053	6.8
119.08600	7.5
121.06482	3.5
121.10174	12.3
125.09763	2.2
131.08569	2.8
133.10149	4.2
135.11723	24.0
142.72464	2.5
145.10156	13.7
157.72729	2.9
159.11891	2.4
161.13263	2.5
163.11227	32.6
166.46922	2.6
181.12265	9.0
184.07411	2.8
227.12819	70.3
229.29749	2.6
243.21021	2.6
261.22107	9.7
268.16214	2.4
283.15433	100.0
335.25845	91.3
336.26285	2.4
543.36871	62.5
606.43488	3.0
746.99872	2.4
768.46820	5.7
793.34888	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	770.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.4
55.05516	28.2
57.03432	8.9
59.04994	2.2
61.02923	3.2
62.82266	2.3
67.05510	35.2
69.03435	9.3
69.07074	20.1
71.04985	5.5
71.55379	2.7
79.05500	40.9
80.57143	2.1
81.03429	16.7
81.07060	30.1
83.01357	7.3
83.04984	12.1
83.08630	16.4
85.02888	5.4
91.05489	21.3
93.07046	32.7
95.04982	12.4
95.08600	15.0
97.02886	13.9
97.06549	6.7
97.10168	10.3
99.04466	2.9
103.16798	2.2
105.04536	2.1
105.07040	16.3
107.04993	13.6
107.08604	21.8
109.02821	3.4
109.06538	7.4
109.10139	9.9
111.04412	2.9
111.08100	4.3
117.07033	14.0
119.04958	3.1
119.08575	18.1
121.06501	6.2
121.10154	8.9
123.08082	7.7
125.09626	9.0
129.07028	3.4
129.90942	2.0
131.08598	11.2
133.06461	3.6
133.10138	9.2
135.08060	6.7
135.11667	9.1
143.08568	4.6
143.10202	2.2
145.10146	16.1
147.08049	8.8
147.11694	4.5
149.09625	3.2
149.13242	2.6
157.10091	2.9
159.11696	3.6
161.09645	3.8
161.13235	2.5
163.11201	17.4
171.11601	2.8
189.11185	3.8
193.12184	3.7
199.13187	2.3
209.11775	7.5
223.13304	15.4
227.12804	8.6
249.14818	3.2
267.15903	4.0
273.18576	14.6
283.15402	76.2
291.19562	100.0
292.19852	3.3
365.23209	48.5
453.24594	3.8
493.27939	7.5
541.34967	2.7
555.33191	3.9
573.25128	4.4
573.34247	90.9
574.34949	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	771.2344
Annotation	kaempferide triglycoside
Peak:m/z	Relative Intensity
55.76904	0.1
56.96561	0.3
57.02329	0.1
57.03425	0.3
59.17712	0.1
66.70257	0.1
69.07064	0.2
70.06591	0.5
71.05000	0.8
71.13183	0.2
79.05454	0.1
79.66811	0.1
85.02914	2.0
91.05492	0.4
92.13337	0.1
95.04976	0.5
98.97613	0.4
107.08617	0.2
119.04947	0.3
119.08610	0.1
121.10086	0.1
129.05492	0.6
133.10126	0.3
135.08067	0.2
147.04414	1.3
147.06454	0.2
149.06032	0.4
153.01804	0.8
156.07626	0.1
163.04007	0.1
175.14830	0.2
191.14322	0.3
213.07962	0.2
219.01804	0.2
258.05252	8.3
259.05652	0.2
265.11240	0.2
286.04730	32.4
287.05054	0.8
301.07074	100.0
302.07391	2.8
336.92355	0.1
390.79697	0.1
427.16501	0.3
463.12369	11.6
464.12634	0.3
498.26428	0.1
609.18262	3.7
610.18976	0.2
625.17273	0.6
765.26245	0.1
771.22614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88718	1.4
55.01847	1.4
55.05519	12.2
57.03429	5.7
57.07076	3.6
57.90625	1.4
59.06118	3.1
61.02941	15.4
65.03950	1.7
67.05511	21.1
69.03435	8.8
69.07079	9.7
71.04967	2.3
71.55478	1.7
73.02922	7.1
79.05509	18.0
81.03419	4.6
81.07064	28.3
82.07451	1.4
83.04985	2.2
83.08627	5.8
85.02916	13.4
85.06555	1.5
91.03954	7.1
91.05486	16.6
93.07060	16.1
95.04983	3.8
95.08618	17.7
97.02908	12.9
97.06532	3.0
97.10173	2.3
100.02689	1.3
101.02376	3.2
101.24126	1.5
103.08711	3.0
105.07046	15.0
107.08594	8.8
109.02907	2.1
109.06503	2.6
109.10169	9.3
109.10842	1.4
115.05479	1.8
117.07031	8.5
119.08590	11.1
120.03353	1.2
121.06497	1.4
121.10152	6.7
123.08105	1.5
123.11726	3.1
125.09641	2.9
127.03925	3.4
128.06259	2.5
129.07013	9.4
131.08565	13.0
133.10126	12.5
135.11673	4.6
138.41502	1.3
141.07021	5.5
142.07718	3.1
143.08562	10.6
145.04926	1.8
145.10136	12.7
147.11684	5.9
155.08574	8.8
157.10164	10.9
159.11708	8.8
161.13269	3.0
163.11234	1.9
165.07010	1.6
167.08574	4.5
169.10161	12.2
171.11659	10.6
173.13295	4.6
175.14809	2.4
179.08569	1.7
181.10120	5.8
183.11720	10.6
184.07329	2.4
185.13292	8.4
187.14822	2.9
195.11705	8.1
196.12421	1.7
197.13283	8.9
199.14836	3.1
201.12798	1.8
207.11694	2.8
209.13298	7.0
210.73247	1.4
211.14838	4.6
213.16357	3.4
221.13243	2.6
223.14902	3.9
225.16451	2.7
235.14880	2.1
237.16348	3.1
239.18007	2.2
331.22986	1.9
339.23114	1.9
365.28436	1.9
447.32645	1.8
499.39880	2.5
517.40430	7.6
535.41473	2.9
539.37097	2.4
545.38385	11.6
591.43774	6.0
607.43518	1.6
609.45190	100.0
610.45856	7.2
634.17065	1.7
697.00079	1.5
771.52069	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	772.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.0
55.05514	34.2
56.96551	3.4
57.03443	20.6
59.05011	22.3
65.03934	5.4
67.05510	96.7
69.03433	8.4
69.07080	10.7
70.06590	10.4
71.05003	26.3
71.55571	3.4
73.94296	2.2
79.05059	4.1
79.05503	54.3
81.03429	100.0
81.07066	47.0
83.04993	22.0
83.08629	33.6
85.02907	9.4
85.06547	8.2
87.04479	25.7
91.05488	50.2
93.07050	38.0
95.04978	43.1
95.08606	22.8
97.02888	9.2
97.06525	11.9
97.10192	24.4
99.04462	10.4
103.05427	2.6
105.07024	29.4
105.13929	1.9
107.04974	23.3
107.08605	31.7
109.06511	9.5
109.09453	4.0
109.10167	53.6
111.04458	12.0
111.08072	11.4
115.05441	2.5
117.07015	9.0
119.04969	5.6
119.08600	23.6
121.02907	3.9
121.06547	11.2
121.10143	21.2
123.04428	6.0
123.08097	6.6
125.06010	2.9
125.09644	15.7
127.03922	3.4
128.06296	2.5
129.07011	22.4
131.08565	24.6
133.06502	7.8
133.10147	16.6
135.04437	6.2
135.08061	7.5
135.11740	12.5
137.06018	4.4
137.09618	5.6
140.07124	2.5
142.07813	2.3
143.08606	5.5
145.06506	4.5
145.10106	10.6
147.04417	13.5
147.08069	9.1
147.11702	21.9
149.05960	3.7
149.09624	19.5
153.09100	5.2
153.12758	9.5
155.08594	4.0
157.10184	17.9
159.07988	2.6
161.05994	6.5
161.09665	3.0
163.03943	3.2
163.11194	15.7
165.12820	4.2
167.10753	4.3
171.11700	2.7
173.11765	13.1
175.11243	17.5
177.05504	2.5
178.20677	2.4
180.10754	2.4
181.12178	6.8
183.11565	2.4
185.13179	2.9
187.11147	2.4
189.11259	13.8
189.12672	2.7
191.10677	6.6
193.12254	54.7
197.09705	2.9
197.13553	2.2
199.13315	8.1
205.12146	3.0
209.11746	11.3
211.13286	45.3
213.12772	4.1
219.13835	4.1
221.15479	2.4
223.13335	3.8
225.12842	4.5
225.14792	11.3
227.12726	19.3
229.12241	3.0
229.14339	33.2
231.13852	4.8
235.13319	3.1
247.13374	8.3
249.14970	15.2
259.09500	2.5
259.13013	2.5
267.09076	4.1
267.15927	58.7
273.14716	4.5
277.14401	2.6
283.08511	4.2
283.15488	15.7
309.17197	3.0
315.18027	4.5
337.21594	6.1
347.20050	3.9
355.22672	10.2
365.21194	13.8
373.23572	4.3
383.22198	25.3
401.23303	19.2
415.24765	5.0
421.25803	22.2
433.25861	6.0
447.27472	3.4
457.25742	7.5
475.26990	21.4
493.28195	5.9
507.29492	15.7
525.30975	5.4
772.40100	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	772.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.5
55.05514	41.2
56.96574	6.6
57.03444	24.5
59.04797	2.2
59.05007	24.6
61.02924	2.8
65.03949	3.8
67.05510	88.9
69.03431	6.8
69.07072	13.6
70.06608	3.5
71.05001	20.3
71.55543	3.2
73.02925	3.3
74.94241	2.5
79.05503	57.2
81.03429	100.0
81.03912	6.0
81.07066	50.8
83.04990	18.6
83.08626	29.1
85.02921	8.7
85.06546	7.5
87.04479	24.7
91.03969	2.5
91.05492	54.9
93.07047	40.0
95.04978	38.1
95.08622	21.4
97.02885	11.5
97.06575	13.7
97.10200	18.4
99.04460	10.9
99.08056	2.5
103.05483	2.9
105.07043	34.9
107.04958	21.4
107.08612	28.7
109.06525	9.4
109.10167	46.0
111.04438	10.4
111.08088	10.3
112.99169	3.1
113.22750	2.4
117.07024	8.8
119.04952	6.2
119.08595	30.9
121.02818	3.1
121.06512	12.6
121.10159	23.2
123.04390	4.0
123.08086	8.1
125.06014	3.9
125.09660	18.3
127.03922	2.9
129.07031	18.8
131.00177	3.0
131.08580	19.3
133.06494	6.6
133.10136	16.7
135.04395	6.3
135.08057	3.8
135.11664	8.4
137.06004	4.0
137.09605	3.4
141.06935	3.3
142.07736	3.4
143.08549	4.2
145.10120	14.4
146.10513	2.5
147.04422	13.9
147.08034	9.2
147.11702	17.5
148.16557	2.3
149.06046	2.8
149.09612	18.6
153.09137	5.6
153.12746	7.6
155.08569	2.9
157.10117	14.9
159.11699	3.9
161.05972	4.9
161.09546	3.1
163.11189	16.4
165.12711	2.6
167.58917	2.8
171.11786	2.5
173.09605	3.3
173.11761	11.2
175.11208	15.7
181.12239	9.7
185.13268	3.4
189.11224	11.3
191.10684	6.3
193.12256	54.9
199.13298	6.5
203.14349	3.6
209.11705	11.9
211.13292	39.4
223.13321	2.5
225.14818	11.8
227.12764	17.7
229.12206	2.5
229.14337	37.4
231.13826	3.5
235.13290	4.7
241.14400	3.8
247.13297	6.8
249.14848	14.0
259.13147	2.4
263.16458	2.7
267.08997	5.7
267.13327	4.3
267.15939	51.0
273.14789	3.7
277.14536	3.5
283.08548	4.3
283.15570	15.0
285.10162	4.3
289.14334	2.7
309.16980	2.6
323.10712	9.0
330.04236	2.4
337.21661	6.1
355.22632	6.7
365.21198	9.5
373.23880	6.9
382.90121	2.2
383.22177	26.2
401.23398	18.8
415.24707	3.3
421.26004	29.0
433.25818	7.5
436.16711	5.7
436.66974	3.5
457.25977	4.9
475.26993	21.0
493.27753	8.0
507.29694	15.0
525.30823	5.3
549.29480	3.0
777.27997	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	772.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	14.7
55.05516	43.3
57.03218	2.5
57.03438	26.0
59.04993	5.4
61.02919	6.8
65.03951	3.8
67.05511	80.0
69.03452	14.8
69.06782	3.0
69.07078	32.6
71.04987	10.0
71.44426	6.7
73.02919	3.1
79.05064	4.1
79.05501	77.0
81.03424	45.9
81.07068	89.0
83.01328	9.4
83.04984	24.5
83.08630	31.1
85.02911	15.7
85.06551	5.5
91.03957	2.8
91.05482	57.8
93.07053	79.4
95.04976	26.9
95.08617	40.1
96.08137	3.9
97.02874	11.7
97.06538	18.9
97.10181	9.8
99.08125	4.7
100.14455	2.7
103.05489	3.0
105.07037	46.5
107.04966	16.5
107.08601	45.4
109.06505	12.1
109.10163	17.3
111.04462	3.7
111.08071	7.5
117.07033	21.7
119.08598	39.1
121.06516	6.6
121.10149	24.9
123.08054	12.3
123.11745	5.2
125.09618	7.8
127.03971	3.1
129.07016	11.5
131.08575	29.0
133.06516	5.3
133.10138	32.9
135.08020	8.7
135.11693	28.1
137.09634	5.2
143.08548	7.0
145.06450	3.4
145.10144	34.2
147.08038	4.3
147.11674	10.0
149.09679	13.6
149.13249	9.7
151.11154	9.7
153.12758	2.8
155.08539	3.5
157.10100	9.9
159.11711	13.5
161.09650	3.9
161.13208	3.5
163.11189	32.1
169.10138	3.8
171.11623	3.2
173.09561	3.4
173.13242	4.7
175.11159	5.5
177.12830	5.9
181.12239	4.3
191.10675	6.3
193.12234	17.3
195.13765	5.7
198.14856	6.5
209.11746	5.3
211.13313	16.0
223.13281	4.1
227.12833	8.9
249.14851	4.8
253.14328	11.5
255.15918	8.6
257.19119	3.8
267.15906	13.0
269.17499	33.5
273.18527	8.2
275.20035	21.5
283.15393	91.8
285.16977	13.3
287.08936	3.0
291.19620	27.6
333.24109	4.2
349.23691	12.2
365.23169	16.1
421.19119	2.8
431.40051	3.0
437.25467	3.8
459.27039	3.9
463.26797	24.6
467.65887	3.1
477.28525	100.0
478.28714	3.7
539.33850	3.0
557.34808	33.8
575.35718	28.0
610.43176	9.9
755.56396	3.0
772.48212	5.7
773.37817	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	19.0
55.05516	55.8
55.86493	3.1
57.03442	26.9
57.07073	4.0
59.04995	4.8
61.02925	7.2
65.03932	3.6
67.05509	83.3
69.03422	17.1
69.07072	40.8
69.92963	13.5
69.93325	4.4
70.06547	3.6
71.01355	3.2
71.04990	10.1
73.02927	3.4
73.04241	3.2
79.05499	84.2
79.05959	4.7
81.03424	61.4
81.07065	100.0
83.01355	8.7
83.04993	29.1
83.08630	32.2
85.02910	20.0
85.06551	8.7
91.03920	3.1
91.05487	78.1
93.07050	85.2
95.04977	36.5
95.08622	37.3
97.02879	19.7
97.06539	19.9
97.10170	23.8
98.21441	2.9
99.04448	4.0
103.05490	6.4
105.04530	4.3
105.07034	61.8
107.04957	29.3
107.08607	55.1
109.02886	6.6
109.06500	15.5
109.10165	25.0
111.04443	5.0
111.08086	13.4
113.06012	3.7
117.07005	23.7
119.08588	51.9
119.09372	5.3
121.06513	11.8
121.10147	33.7
123.08086	15.0
123.11720	3.0
125.09622	18.0
129.07001	14.0
129.57065	3.5
131.08583	30.9
133.06520	9.7
133.10139	34.6
135.08086	7.7
135.11710	24.8
137.09598	6.7
143.08568	8.1
145.10143	32.8
147.08075	10.8
147.11696	18.3
149.09627	20.7
149.13303	8.1
151.11206	11.1
153.12663	3.9
155.08585	5.0
157.10182	16.9
159.11708	12.0
161.09644	9.1
161.13370	5.4
163.11203	33.1
165.12743	4.8
169.10086	4.2
171.11653	6.3
173.09633	6.6
175.11205	10.1
177.12785	3.1
181.12250	5.1
189.11253	7.5
191.10718	4.2
193.12215	24.9
209.11742	7.7
211.13318	36.6
223.13347	10.9
227.12791	27.1
233.15561	3.3
239.17929	4.1
253.14201	13.7
255.15807	3.7
257.19046	9.7
267.15921	25.7
269.17456	16.8
273.18597	18.2
275.20026	26.4
283.15402	91.4
285.16891	29.0
285.32281	3.2
291.19565	72.5
293.21161	3.5
338.22696	3.1
347.22321	3.4
349.23767	24.3
365.23325	35.4
437.25238	4.2
453.24823	7.5
459.27740	3.8
461.28882	4.3
463.26849	16.8
477.28500	57.8
517.31641	5.2
539.33728	8.1
557.34821	74.0
575.35919	56.8
576.36108	4.4
729.63354	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	772.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.2
55.05519	25.1
57.03453	12.9
57.07082	2.1
61.02926	4.3
65.03944	4.0
67.05515	68.8
69.03429	2.6
69.07079	19.3
69.88259	3.3
69.88673	6.6
71.01361	3.3
71.04988	6.0
73.02920	3.3
73.06509	1.6
79.05503	55.5
81.03431	28.6
81.07067	61.7
83.01350	2.0
83.04990	12.2
83.08635	11.8
85.02903	9.1
85.06544	3.6
86.09715	2.5
86.15719	1.7
91.05494	31.9
93.07054	62.8
94.07358	1.9
95.04993	10.4
95.08618	48.2
97.02897	11.9
97.06538	11.2
97.10170	4.5
99.04429	1.7
105.07045	22.2
107.04971	16.4
107.08608	29.9
109.06532	7.1
109.10158	18.1
111.04450	21.7
111.08067	4.7
113.06020	1.6
113.34239	1.6
117.07011	14.4
119.08595	21.5
121.06535	6.7
121.10153	26.9
123.08117	9.3
123.11736	3.8
125.06007	6.4
125.09625	2.5
127.03925	2.0
129.06990	5.6
130.07797	2.1
131.08583	13.6
133.10165	8.5
135.08125	4.2
135.11708	20.3
137.09644	3.5
139.07542	1.7
139.76601	1.7
143.08601	2.6
145.06499	2.4
145.10147	26.5
147.08064	4.9
147.11702	5.9
149.09628	2.1
149.13261	5.3
153.12749	6.4
155.08560	3.2
159.11746	4.7
161.13335	3.1
163.11203	26.8
163.14894	2.1
171.11693	2.5
171.90085	1.9
173.09622	9.1
173.13188	2.3
175.14796	1.7
181.12190	3.8
184.07355	6.1
187.14857	2.8
191.10680	9.0
193.12343	2.2
195.11827	1.9
209.11726	10.9
211.13364	3.0
223.13304	17.2
227.12833	11.1
241.14378	27.7
243.20996	2.4
261.22168	14.1
265.14313	5.7
267.15891	1.8
276.30170	1.8
283.15466	18.3
285.17020	2.2
290.18982	1.6
299.23706	2.1
301.82199	2.0
315.18051	43.4
317.24881	3.7
335.25839	100.0
336.26108	4.2
451.32370	3.5
469.33002	2.6
511.96796	1.6
525.36127	9.7
543.36865	66.7
544.36963	2.7
545.38336	5.5
546.38348	4.6
575.39484	93.6
576.39478	4.9
610.45209	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	772.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.2
55.05519	25.1
57.03453	12.9
57.07082	2.1
61.02926	4.3
65.03944	4.0
67.05515	68.8
69.03429	2.6
69.07079	19.3
69.88259	3.3
69.88673	6.6
71.01361	3.3
71.04988	6.0
73.02920	3.3
73.06509	1.6
79.05503	55.5
81.03431	28.6
81.07067	61.7
83.01350	2.0
83.04990	12.2
83.08635	11.8
85.02903	9.1
85.06544	3.6
86.09715	2.5
86.15719	1.7
91.05494	31.9
93.07054	62.8
94.07358	1.9
95.04993	10.4
95.08618	48.2
97.02897	11.9
97.06538	11.2
97.10170	4.5
99.04429	1.7
105.07045	22.2
107.04971	16.4
107.08608	29.9
109.06532	7.1
109.10158	18.1
111.04450	21.7
111.08067	4.7
113.06020	1.6
113.34239	1.6
117.07011	14.4
119.08595	21.5
121.06535	6.7
121.10153	26.9
123.08117	9.3
123.11736	3.8
125.06007	6.4
125.09625	2.5
127.03925	2.0
129.06990	5.6
130.07797	2.1
131.08583	13.6
133.10165	8.5
135.08125	4.2
135.11708	20.3
137.09644	3.5
139.07542	1.7
139.76601	1.7
143.08601	2.6
145.06499	2.4
145.10147	26.5
147.08064	4.9
147.11702	5.9
149.09628	2.1
149.13261	5.3
153.12749	6.4
155.08560	3.2
159.11746	4.7
161.13335	3.1
163.11203	26.8
163.14894	2.1
171.11693	2.5
171.90085	1.9
173.09622	9.1
173.13188	2.3
175.14796	1.7
181.12190	3.8
184.07355	6.1
187.14857	2.8
191.10680	9.0
193.12343	2.2
195.11827	1.9
209.11726	10.9
211.13364	3.0
223.13304	17.2
227.12833	11.1
241.14378	27.7
243.20996	2.4
261.22168	14.1
265.14313	5.7
267.15891	1.8
276.30170	1.8
283.15466	18.3
285.17020	2.2
290.18982	1.6
299.23706	2.1
301.82199	2.0
315.18051	43.4
317.24881	3.7
335.25839	100.0
336.26108	4.2
451.32370	3.5
469.33002	2.6
511.96796	1.6
525.36127	9.7
543.36865	66.7
544.36963	2.7
545.38336	5.5
546.38348	4.6
575.39484	93.6
576.39478	4.9
610.45209	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.0
55.05511	31.9
57.03450	15.5
57.07072	5.8
61.02926	14.1
65.03934	5.7
67.05512	100.0
69.03416	10.4
69.06778	2.8
69.07075	27.8
71.01373	3.0
71.04987	5.3
73.02917	6.2
79.05063	5.2
79.05501	85.6
81.03425	10.3
81.07066	90.3
83.04990	4.3
83.08614	16.6
85.02911	14.7
91.03945	4.8
91.05487	74.2
92.05802	3.0
93.06476	4.9
93.07055	93.3
95.04967	8.9
95.08611	79.1
97.02900	14.1
97.06546	8.7
97.10173	6.9
105.06382	5.2
105.07041	62.7
107.08597	41.4
109.06500	7.0
109.10178	29.2
117.07035	26.5
119.08582	53.5
121.10149	42.4
122.93301	3.0
123.11681	7.9
127.03935	3.3
128.06212	4.6
129.07018	20.5
131.08582	40.0
133.10135	40.7
135.08076	3.9
135.11700	23.4
141.06984	4.1
142.07799	4.4
143.08603	19.9
144.09378	3.1
145.10139	34.0
147.08115	2.8
147.11700	41.7
148.46939	3.2
149.13234	11.5
155.08606	9.6
156.09367	3.3
157.10127	18.5
159.11717	33.0
161.13271	29.9
163.14813	6.5
169.10120	9.2
171.11713	19.9
173.13271	23.3
175.14796	10.7
183.11713	12.4
184.07280	4.5
184.53664	2.8
185.13249	12.1
187.14795	9.4
189.16266	4.4
195.11690	4.5
197.13275	10.6
199.14801	11.9
201.16382	5.1
211.14838	3.5
213.16463	6.5
215.17986	3.8
231.17438	3.7
231.21066	3.5
241.19547	21.6
243.21104	4.0
257.18958	10.7
259.20612	52.9
260.20837	3.5
261.22073	7.9
275.20090	6.7
301.21545	3.3
315.23248	3.9
331.22583	4.0
333.24298	35.4
335.21988	5.3
335.25821	72.8
337.27386	3.5
367.22784	5.6
385.23755	5.0
441.26398	3.6
468.11636	2.8
495.52716	3.1
519.41699	5.7
593.45459	13.2
611.46765	90.2
612.47107	7.8
677.47675	4.3
701.46967	7.0
755.51099	4.8
773.50775	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	773.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	7.6
55.05521	33.4
56.54156	3.3
57.03435	13.0
57.07070	8.1
61.02924	15.6
65.03938	7.1
67.05171	6.0
67.05511	100.0
69.03436	13.0
69.07074	29.3
69.22751	10.5
69.23154	22.2
71.04995	5.8
71.08630	3.9
73.02921	7.2
79.05499	73.5
81.03423	12.0
81.07060	92.0
83.04983	4.4
83.08618	18.8
85.02911	15.8
85.06546	6.5
91.03945	6.9
91.05486	81.9
93.07050	86.8
95.04982	14.3
95.08614	65.6
97.02922	10.2
97.06538	11.2
97.10177	8.1
98.20788	7.2
99.08127	3.7
103.05444	3.6
105.04587	3.9
105.07034	67.4
107.04971	6.1
107.08613	48.0
109.06525	6.8
109.10189	24.8
111.08105	4.1
115.05476	4.5
117.07022	20.2
119.08576	63.7
121.06504	5.5
121.10162	45.2
123.08047	3.8
123.11712	11.9
129.07021	13.6
131.08582	41.5
133.06569	3.9
133.10135	49.3
135.11725	25.0
141.06996	3.9
143.08557	16.8
145.10147	38.8
147.08212	3.6
147.11693	37.1
149.13246	16.9
155.08578	10.3
157.10167	16.0
159.11720	31.4
161.13243	29.7
163.14822	7.4
169.10124	7.9
171.11716	23.2
173.09734	4.2
173.13281	24.7
175.14859	8.9
177.16447	3.9
181.10168	7.5
183.11719	7.7
184.07434	7.4
185.13318	16.5
187.14799	10.0
197.13191	7.7
199.14854	11.7
201.16388	4.9
213.16536	5.6
229.19487	3.9
231.21161	6.4
241.19640	21.1
243.21298	4.8
247.22630	3.7
257.19043	5.3
259.20584	51.6
261.22232	6.8
275.20230	5.0
301.21640	5.2
315.22998	3.6
333.24332	29.1
335.25833	69.0
337.27325	9.4
343.22552	4.7
519.41901	5.6
593.45709	7.7
609.44891	5.9
611.46753	92.3
635.46881	5.1
669.41376	6.4
719.48755	5.9
773.42151	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.05511	10.4
57.03450	10.1
57.07061	1.9
59.05029	0.8
61.02937	1.7
65.03938	3.2
67.05510	51.6
69.03422	2.9
69.07073	11.1
70.71999	2.5
71.04990	2.9
71.08627	0.9
73.02920	0.9
79.05499	26.2
81.03407	1.7
81.07063	41.6
82.07358	0.8
83.04993	5.3
83.08629	4.7
85.02892	2.6
85.06536	4.0
91.05487	37.5
93.07054	34.4
95.04987	6.5
95.08616	29.7
95.09234	1.2
97.02856	1.6
97.06525	3.7
97.10153	1.4
99.04468	1.1
99.08091	1.0
103.03914	1.2
104.29082	0.7
105.03377	1.2
105.04459	0.9
105.07037	26.1
107.04928	1.8
107.08602	25.0
109.06518	3.6
109.10161	35.4
111.04408	0.9
111.08090	1.1
113.05993	1.8
117.07016	6.7
119.08581	11.2
120.31725	0.9
121.10153	11.1
123.08013	1.0
123.11719	7.2
127.07542	1.1
128.06189	2.1
131.08569	5.8
132.92322	0.8
133.10139	62.6
135.07986	1.2
135.11693	8.7
137.09593	1.7
137.13284	1.1
139.11250	0.9
143.08556	4.0
145.10152	4.4
147.11691	2.9
149.13272	5.1
151.11189	24.6
159.11702	3.4
161.09641	13.7
161.13258	2.5
163.14828	2.3
169.12282	6.0
173.13232	2.6
175.14865	0.9
177.16483	0.9
179.10695	8.5
184.07367	1.6
187.14827	1.4
197.11699	3.9
215.12798	16.7
241.50296	0.9
243.21046	4.3
253.14352	17.0
261.22150	13.2
271.15414	6.2
279.23102	1.2
299.14929	7.5
317.15967	60.3
317.24390	4.1
318.16232	1.1
335.25824	100.0
336.26166	3.6
363.25186	1.6
403.44553	1.0
437.58746	0.9
469.75348	0.8
513.35602	1.5
531.37091	5.9
559.36414	1.7
577.37390	36.7
578.37567	1.6
595.37897	1.7
612.41766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.5
55.05517	44.0
57.03445	31.3
61.02932	6.5
65.03948	3.8
67.05173	5.3
67.05512	94.4
69.03433	12.2
69.07072	47.6
69.96299	12.8
71.04990	8.8
79.05058	5.8
79.05500	95.2
81.03426	98.2
81.07065	100.0
83.04987	28.4
83.08627	44.3
85.02908	38.7
85.06544	5.3
86.09712	4.1
91.05491	94.7
93.07053	77.4
95.04977	46.6
95.08611	45.6
97.02908	13.0
97.06541	21.8
97.10181	22.5
99.08088	4.0
105.04527	7.4
105.07042	76.9
105.89991	2.8
107.04960	20.3
107.08604	52.4
109.06557	15.4
109.10162	21.8
111.04472	4.7
111.08093	20.7
113.06028	3.8
115.31957	3.4
116.60294	3.0
117.07036	24.9
119.08600	49.2
121.06544	7.8
121.10146	28.3
123.08080	10.2
125.09651	15.0
127.03960	4.6
129.07030	24.3
131.08582	42.2
133.06499	8.1
133.10144	40.1
135.08044	5.6
135.11702	18.2
137.09608	6.7
141.06984	5.7
142.07790	5.4
143.08624	5.7
145.10132	26.4
147.08072	6.8
147.11699	38.1
149.09625	31.7
149.13251	8.3
151.11195	5.0
155.08588	5.0
157.10182	21.1
159.11694	21.0
163.11205	12.8
165.12773	5.8
171.11705	5.9
171.13831	3.7
173.13284	8.8
175.11169	14.4
175.14972	3.5
177.12787	4.3
179.14381	5.0
180.04370	3.1
184.07338	3.9
185.13260	5.1
189.11189	9.2
193.12241	60.5
211.13312	78.8
211.15251	6.2
226.91843	3.8
227.12782	25.8
229.14198	4.1
255.15974	13.2
257.19019	12.0
267.15939	43.2
269.17490	23.0
275.20108	57.6
285.17017	74.0
286.17453	3.7
293.21088	6.3
309.20422	4.7
331.22470	5.8
349.23755	42.8
447.27563	5.4
461.29022	18.6
463.30582	4.4
465.28555	11.1
479.30081	52.2
480.30045	4.3
501.31754	3.6
519.33234	7.7
541.34961	20.3
559.36414	51.2
560.36505	5.5
577.37335	8.4
623.34119	3.7
665.40729	3.7
675.59161	3.4
774.37872	6.7
775.37628	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	774.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05524	26.9
57.03440	20.7
57.07083	2.7
65.03947	4.9
67.05512	73.9
69.07065	15.6
71.04988	3.0
79.05503	55.5
81.03425	100.0
81.07064	67.8
83.04990	9.0
83.08625	25.6
85.06535	3.2
91.05495	42.1
93.07060	50.9
95.04973	30.4
95.08619	47.7
97.02914	4.0
97.06552	4.9
97.10173	7.6
98.21482	6.9
105.07037	37.4
107.04961	5.8
107.08610	36.1
109.06521	5.5
109.10156	19.3
111.08094	7.8
117.07032	8.9
119.08599	26.8
121.06496	5.0
121.10168	24.3
123.04427	3.1
123.08065	5.0
123.11747	6.6
125.09673	5.0
129.07027	14.6
131.08577	21.3
131.63199	1.9
133.10152	14.3
135.11685	15.9
137.13165	2.2
143.08537	2.5
145.10155	11.9
147.08063	3.5
147.11670	13.7
149.09648	3.8
149.13258	5.3
157.10187	8.9
159.11717	10.1
161.09778	2.2
161.13237	5.5
163.11220	2.1
163.14841	2.7
165.12749	2.7
173.13315	6.5
175.11205	8.5
175.14864	2.5
177.12949	1.9
189.69371	1.8
191.10754	2.1
193.12286	23.0
201.16402	2.7
211.13289	2.3
227.12848	5.9
243.21101	7.1
261.22147	24.8
267.15942	90.9
268.16232	2.5
301.25397	3.3
309.16953	2.5
317.24829	4.4
335.25830	86.0
336.26160	3.0
421.25583	2.4
435.32883	4.6
453.33752	9.4
471.35098	2.4
509.36121	2.2
527.37378	58.5
528.37750	2.7
545.38477	42.2
569.38501	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	775.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
57.03423	0.9
61.02894	1.0
65.03944	4.5
65.48528	0.5
67.05479	2.2
69.03438	4.6
70.06551	1.5
71.55092	0.5
72.08150	0.5
73.02907	0.9
78.04337	0.4
78.04712	3.7
79.05495	3.0
81.03390	1.7
82.04184	1.1
84.04452	0.6
85.02907	6.5
86.03151	0.4
87.04458	0.8
89.03905	0.6
91.04990	0.4
91.05483	5.9
93.03374	1.4
93.06978	0.6
95.04943	2.2
97.02863	2.2
97.06551	2.4
98.97568	0.5
103.05464	3.3
105.07035	1.1
106.04145	1.5
107.04954	4.6
108.02063	0.8
109.02836	1.6
109.06472	0.8
110.03648	2.6
111.04446	1.2
115.04810	0.6
115.05468	7.3
117.06209	0.8
117.07014	9.7
119.04958	6.3
119.08570	0.6
121.02860	1.2
121.06470	0.8
122.03656	1.3
123.04442	9.4
124.05245	2.5
125.05984	1.9
127.03880	1.2
127.05414	1.3
130.04149	0.8
131.04890	2.3
133.02827	1.7
133.06497	1.2
134.03578	0.6
135.04416	1.9
137.02316	0.6
137.05986	10.5
138.03145	1.1
142.02582	2.0
143.04907	1.5
144.05617	0.5
145.02847	0.6
145.06491	15.4
147.04420	7.8
147.08018	0.8
149.05997	0.9
151.03922	3.7
151.07498	1.8
152.04669	3.1
153.05438	2.1
155.04947	0.5
155.06055	6.9
159.04428	0.6
160.05263	0.8
161.06021	2.5
162.06709	1.0
163.03944	3.3
163.07552	1.5
165.05450	1.4
167.07050	100.0
168.07385	1.9
171.06528	2.7
173.05998	22.5
174.06398	0.6
175.07529	2.2
177.05467	0.8
179.07042	3.0
181.04962	67.8
182.05289	0.6
189.05493	1.3
191.07016	1.9
195.06502	0.7
201.05453	1.5
203.07039	4.0
205.08607	6.7
207.06474	0.9
209.08067	0.7
215.06819	0.6
217.08656	1.6
219.06444	1.0
221.06029	0.6
221.08130	1.0
229.04974	0.7
231.06566	1.5
231.10408	0.6
233.05899	0.8
233.08087	8.4
235.07558	1.0
235.09653	9.9
237.09209	0.7
250.06267	1.0
253.08490	0.5
254.09164	0.5
257.04504	1.1
259.09674	1.4
264.07971	0.7
265.08615	1.7
268.10474	0.5
272.06802	1.2
283.09586	0.7
286.04642	4.2
287.05573	1.2
292.07373	0.6
293.08139	1.7
295.06274	0.7
295.09497	0.8
297.11285	2.5
300.06284	4.7
301.07068	11.0
307.09741	0.7
309.11380	0.7
310.08221	2.4
315.12451	1.1
321.07281	0.6
325.10794	1.8
326.11630	0.8
327.08655	0.9
329.14133	0.6
342.11011	0.6
353.10464	0.9
355.11911	0.9
357.13358	8.9
367.11746	0.9
385.12845	38.6
386.13403	1.8
387.14331	6.0
393.97321	0.6
397.13000	1.9
399.14670	1.5
403.13779	2.8
415.13824	4.4
416.14856	1.0
417.15457	11.9
451.10464	0.7
469.11136	3.2
494.13773	0.6
535.85492	0.7
565.20868	1.0
577.19086	0.9
595.21564	0.9
613.22864	16.8
614.23334	1.0
774.55255	0.7
775.28290	26.3
776.28339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.6
56.96572	24.9
57.03412	2.5
61.02926	4.3
62.75711	1.8
65.43713	1.6
67.05510	9.2
69.03427	4.7
69.07066	4.4
71.08597	2.2
76.15273	1.9
79.05501	7.1
81.03407	3.7
81.07061	8.1
83.08614	2.9
83.40595	1.9
84.96060	6.7
85.02902	3.2
91.05501	3.7
93.07053	8.5
95.08614	4.3
97.02882	4.0
98.20683	2.9
98.97591	80.2
100.99169	2.1
105.07022	5.2
107.08604	4.2
110.77911	2.1
110.97575	19.7
112.03488	2.2
112.99145	26.8
116.98633	26.4
117.07044	2.1
118.92285	2.0
119.08601	5.3
123.08096	2.2
124.99101	3.0
128.98601	21.2
131.00180	39.1
131.08577	2.3
133.10170	3.6
134.99660	5.4
139.48798	2.1
140.00282	2.1
140.98592	4.8
143.00182	14.5
145.10159	1.7
146.99657	10.6
149.01231	35.2
152.98666	4.8
154.01776	2.7
155.00195	2.9
158.99666	37.8
161.01245	12.1
163.11208	2.8
167.02237	4.8
170.01376	2.4
170.39569	1.9
170.99663	39.5
172.02856	4.0
173.01210	9.4
177.00726	28.4
182.99730	4.3
185.01251	5.4
189.00746	30.9
191.02260	10.7
194.99646	4.1
199.02762	9.4
200.02328	3.9
201.00691	9.6
203.02274	7.9
209.01210	4.0
212.02272	5.7
213.00772	5.9
215.02260	3.2
217.03896	3.5
219.01762	20.3
227.02354	3.9
231.01808	4.5
233.03276	3.9
237.02864	7.2
249.14914	1.7
249.28983	2.0
261.02884	21.3
275.04318	9.1
279.03821	23.5
283.15424	5.1
291.03943	4.7
293.05460	37.2
297.04956	5.8
302.05478	2.6
309.04947	4.7
311.06531	10.5
317.17914	28.2
321.04959	100.0
322.05283	2.7
335.18884	9.0
339.06021	5.5
362.07639	3.8
362.83173	1.9
368.32419	2.0
381.07120	9.5
437.09708	22.0
455.10712	46.2
477.28668	2.7
478.28528	2.5
539.25275	6.7
553.26685	8.1
571.28198	2.5
715.32269	38.4
775.38843	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
56.96573	23.0
57.03438	1.7
61.02982	1.5
67.05505	8.6
67.07188	1.1
69.03430	1.5
71.04987	1.4
71.55598	1.7
79.05486	4.8
81.03409	2.5
81.07048	3.9
84.96032	3.5
85.02905	1.8
91.05476	4.3
93.07042	4.6
95.04977	2.0
95.08641	3.0
97.02872	1.2
98.97596	69.8
105.07052	2.0
107.08627	3.0
109.10145	2.6
110.97576	16.0
111.08128	1.4
112.99142	22.7
116.98641	26.6
119.08589	3.6
121.06534	1.5
121.10154	1.6
124.99116	5.3
128.98628	20.3
131.00189	30.3
131.08633	1.8
134.99652	5.6
135.11726	1.5
140.00201	2.0
140.98596	6.9
143.00175	15.0
144.98044	1.4
145.10143	2.6
146.99667	8.6
149.01237	28.7
152.00262	1.5
152.98590	3.5
154.01761	1.6
155.00171	2.8
158.99687	32.6
161.01260	9.2
163.11174	2.5
167.02255	4.9
170.01463	1.5
170.99687	38.0
172.02864	2.8
172.11855	1.2
173.01248	9.1
175.02724	1.5
177.00734	26.3
177.02209	2.7
178.38971	1.3
182.99576	2.7
185.01205	6.7
189.00743	31.3
191.02354	9.1
194.99742	2.0
195.01648	2.1
199.02858	6.7
200.02258	2.0
201.00714	10.4
203.02310	7.7
205.03697	1.5
207.01907	1.5
209.01231	2.8
212.02338	3.9
213.00746	4.9
215.02354	3.3
217.03853	4.5
219.01804	19.6
227.02316	2.2
227.12802	2.4
231.01775	3.6
233.03354	4.7
237.02968	6.7
242.03426	1.4
261.02814	20.6
275.04373	10.3
279.03909	20.9
291.03839	4.0
293.05469	38.4
297.04965	4.5
302.05457	2.1
309.04947	4.4
311.06528	11.5
316.07083	2.5
317.17963	24.1
321.04974	100.0
322.05173	2.1
332.06708	1.8
334.08047	1.6
335.06552	2.5
335.18997	4.5
339.05991	5.3
358.20459	2.3
359.19070	2.0
362.07626	5.2
381.07034	5.1
437.09714	21.9
455.10794	42.6
478.28513	1.7
539.25055	6.5
553.26849	9.2
560.36017	2.2
715.20062	2.1
715.32214	33.8
716.32080	3.1
775.38452	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	775.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05503	3.8
57.03424	3.5
58.17393	1.4
58.58212	1.4
61.02926	5.1
67.05501	6.3
69.03429	4.5
69.07056	4.8
71.54747	2.0
73.02917	3.1
79.05506	6.3
79.90767	1.5
81.03412	4.3
81.07059	7.1
83.08616	3.1
85.02906	5.6
89.18333	1.3
90.26073	1.3
91.03964	2.4
91.05499	5.0
93.07031	7.6
95.04967	2.8
95.08618	2.8
97.02894	6.4
101.02390	2.7
104.95275	1.7
105.07022	5.1
106.42036	1.4
107.08603	4.4
109.10194	1.9
119.08562	2.3
121.10189	2.3
125.09610	1.6
131.08598	1.8
133.10139	1.7
144.71663	1.3
145.10152	1.8
161.25439	1.6
168.88141	1.3
189.48552	1.4
192.38783	1.3
224.88173	1.7
236.67545	1.4
238.79579	1.7
291.19745	2.3
331.18680	1.5
444.99863	1.5
463.78891	1.4
467.18945	7.2
549.26672	4.7
578.37054	2.1
775.38843	100.0
776.39355	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	776.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
55.05516	14.5
56.05036	2.3
56.96570	1.1
57.03440	4.9
59.05004	0.7
61.02935	8.8
65.03946	1.2
67.05509	15.8
68.05032	2.4
69.03435	11.8
69.05833	0.6
69.07076	4.1
70.02945	0.8
70.06597	19.2
71.01353	1.2
71.04998	100.0
71.56260	0.6
72.02063	0.5
72.04510	0.8
72.05342	0.5
73.02917	4.5
79.05499	16.7
81.02980	0.9
81.03426	13.7
81.07057	10.6
82.06567	0.6
83.04996	4.2
83.08626	9.1
84.08147	4.8
85.02911	14.2
85.06551	0.8
86.06077	9.2
86.63531	0.6
87.04480	1.4
88.03996	4.6
89.03879	0.6
91.03973	3.0
91.05492	15.9
91.06070	0.8
92.63703	0.6
93.07055	9.0
94.06578	1.1
95.04972	7.1
95.08631	3.6
96.04530	0.7
96.08136	16.7
97.02903	7.3
97.06537	5.3
97.10174	11.7
98.06060	6.9
98.06715	0.9
98.64709	0.6
98.97572	0.9
99.04482	1.1
101.02425	1.5
102.05591	0.6
104.07121	0.7
105.07041	7.6
106.06566	4.1
107.04969	3.3
107.08604	7.7
109.02889	2.7
109.06536	2.5
109.10174	2.9
111.08118	2.7
112.07607	6.4
113.06026	0.7
114.09216	1.1
115.03988	0.9
115.05500	1.0
117.07026	2.4
119.04913	0.7
119.08595	7.4
120.08082	1.0
121.06523	1.1
121.10173	2.2
122.06071	0.7
123.08111	2.0
124.07599	18.1
124.08475	0.9
125.09634	9.4
127.03950	2.4
129.07036	3.5
131.08583	3.4
133.06528	0.8
133.10138	3.9
135.04460	1.0
135.08060	2.8
135.11739	1.0
136.07573	0.6
137.05966	1.0
137.09677	0.9
140.07092	0.8
141.07883	1.7
142.07608	1.1
142.08658	16.3
145.02931	0.9
145.06503	0.5
145.10143	1.2
147.04448	1.3
147.08144	1.1
147.11691	2.7
147.97943	0.6
149.09682	1.7
151.04094	0.5
151.11223	0.7
153.09091	3.0
157.10202	2.5
158.08136	9.5
163.03906	5.4
163.11209	1.6
164.04251	1.0
170.08163	3.2
171.10165	0.6
175.11284	2.9
189.11206	6.0
191.10661	0.7
193.12274	7.8
202.10811	0.9
211.13312	6.1
215.07057	2.0
227.12775	9.5
236.16531	0.6
238.17839	0.7
245.13948	1.5
248.16457	1.4
250.14427	0.6
254.17505	0.9
259.09647	7.1
259.11890	0.6
260.10007	1.4
267.15955	4.0
283.15417	0.8
285.16919	4.0
295.11035	0.7
307.15909	0.7
339.51538	0.6
437.25308	3.0
455.26605	2.0
470.69565	0.6
487.22684	0.9
520.32990	0.7
552.32214	0.6
564.35272	1.3
578.33514	1.7
596.34540	3.4
614.34949	4.6
726.40820	2.1
758.41962	3.1
776.40680	88.3
777.41473	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	6.1
55.05515	46.9
57.03441	19.6
57.07071	3.6
59.04995	3.1
61.02923	2.4
65.03938	4.4
65.83208	1.1
67.05509	100.0
69.03423	4.1
69.07069	18.8
70.70582	1.9
70.70912	1.7
71.04984	3.9
78.42827	1.3
79.05498	54.2
80.05858	1.2
81.03425	6.0
81.07061	60.9
83.04993	4.9
83.08635	16.5
85.02916	15.9
85.06535	2.9
87.04475	5.2
91.05486	27.5
93.07051	43.6
95.04975	6.1
95.08609	40.1
95.12708	1.4
97.02896	5.2
97.06533	4.0
97.10177	21.7
99.04459	1.2
99.08078	1.6
105.04525	1.1
105.07039	15.9
107.04958	1.5
107.08604	28.9
109.06516	4.6
109.10168	50.9
110.10532	1.4
111.08063	3.8
116.26526	1.2
117.07029	8.1
119.08587	16.0
120.96786	1.2
121.10147	19.4
123.08054	1.6
123.11696	4.4
125.09644	19.4
129.07022	3.7
131.08588	11.8
133.10126	9.6
135.11690	11.9
137.09636	2.9
137.13240	1.4
139.11116	2.0
143.08575	2.8
143.10677	3.7
145.10139	10.2
147.11719	6.1
149.09645	1.9
149.13255	4.5
153.12659	1.4
155.10666	3.9
157.10086	1.7
159.10513	1.5
159.11658	7.9
161.13248	3.4
161.62556	1.2
163.11201	4.9
163.14822	2.7
171.11647	2.5
173.11748	9.8
173.13280	5.1
181.12181	1.7
185.13268	1.4
187.14873	2.0
191.10634	1.8
193.12320	1.3
199.13313	11.0
205.16135	1.2
209.11723	2.0
217.14357	2.2
227.12782	5.0
229.14354	35.9
230.14664	1.6
243.21114	4.0
245.13878	1.9
261.22153	11.7
267.15848	2.8
283.15338	1.4
299.23923	1.3
301.16483	15.3
315.23227	1.3
317.24777	2.4
335.25824	77.3
336.26187	4.2
363.25421	2.1
365.58054	1.4
459.35187	1.7
477.36026	8.7
489.35742	13.6
543.36725	2.8
561.37860	6.4
579.38776	3.8
700.19940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
55.05516	44.3
55.05784	2.2
56.37743	0.9
57.03184	1.6
57.03443	18.5
57.07063	2.8
59.04996	3.1
61.02926	2.9
63.71546	0.8
65.03938	3.4
67.05510	100.0
68.05817	0.9
69.03442	4.4
69.06725	1.3
69.07072	17.0
69.27858	8.9
71.01357	1.5
71.04987	4.1
73.02917	1.1
79.05497	52.7
81.03432	6.1
81.07063	56.5
83.04996	4.9
83.08625	15.1
85.02915	16.8
85.06554	3.8
87.04474	6.6
88.74527	0.9
91.03958	1.0
91.05488	27.1
92.15089	0.9
93.04784	1.0
93.07051	37.6
95.05000	5.9
95.08610	37.1
97.02895	3.1
97.06540	3.0
97.10179	19.4
99.04410	1.0
103.03902	1.4
105.04510	1.8
105.07048	14.9
107.04944	3.1
107.08597	25.3
109.06513	1.9
109.10163	50.4
111.08069	2.7
117.07041	5.7
119.08596	16.3
121.06548	1.0
121.10153	17.5
123.08085	1.7
123.11703	4.5
125.09641	21.8
128.06178	0.9
129.06979	3.1
131.08589	11.0
133.10144	9.3
135.08054	1.5
135.11700	11.5
137.09604	2.9
137.13353	1.5
139.11186	2.0
141.06947	1.0
142.74991	1.0
143.08575	1.5
143.10718	3.1
145.10139	10.0
147.11694	6.8
149.09610	1.8
149.13287	5.5
155.10664	5.8
157.10143	1.5
159.11664	6.6
161.13297	4.3
163.11209	4.6
163.14761	2.8
171.11705	1.8
173.11745	11.5
173.13252	4.0
175.14774	1.5
181.12346	1.4
183.11700	1.2
185.13393	1.8
187.14864	1.8
189.11166	1.5
191.10826	1.3
193.12257	1.1
199.13283	9.0
209.11734	2.7
211.13318	1.5
217.14249	1.5
227.12747	6.8
229.14357	36.5
243.21115	3.2
245.13890	2.2
259.20486	1.1
261.22168	11.1
267.15881	3.7
277.21594	1.4
283.15588	1.4
289.21448	2.3
301.16467	12.9
317.24844	1.5
319.17639	1.1
333.24115	1.1
335.25830	62.5
336.26065	2.7
363.25256	2.3
459.34650	1.4
465.35471	0.9
477.35724	8.4
489.35895	12.4
543.37170	2.1
561.37646	5.8
579.38293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05518	48.3
57.03189	1.3
57.03444	17.9
57.07074	2.1
59.04992	3.4
61.02915	3.0
65.03940	3.9
67.05511	100.0
68.05845	0.8
69.03438	4.4
69.06722	1.3
69.07075	19.0
69.42388	1.7
69.42801	4.2
71.01354	1.8
71.05006	4.3
71.08646	0.9
72.10670	0.9
73.02917	1.3
77.03906	0.9
79.05499	54.9
81.03426	6.9
81.07066	66.5
83.05004	5.7
83.08630	16.4
85.02915	16.0
85.06548	3.7
87.04489	4.9
91.04896	1.0
91.05486	30.8
93.07052	45.8
93.79753	0.8
95.04980	6.1
95.08617	46.1
97.02888	3.3
97.06521	4.4
97.10181	21.8
98.99889	0.8
99.08076	1.1
103.03932	1.2
103.05434	1.0
105.04504	1.1
105.07043	19.6
107.04950	2.0
107.08605	32.1
109.06528	2.3
109.10168	49.4
111.04440	1.5
111.08075	4.1
117.07028	8.1
119.07803	1.2
119.08594	16.8
121.06531	0.8
121.10154	20.4
123.08060	3.6
123.11709	6.1
125.09647	23.9
129.07059	4.2
131.08580	12.4
133.10149	10.3
135.08093	1.1
135.11707	14.4
137.09644	2.7
137.13275	1.3
139.11198	2.0
142.13831	0.8
143.08571	3.3
143.10619	4.1
145.10136	10.3
147.08035	1.1
147.11720	7.4
149.09637	1.2
149.13268	6.0
151.11188	1.0
153.12759	2.7
155.08597	0.8
155.10704	3.2
157.10132	2.9
159.11737	5.2
161.13284	5.1
162.44987	0.8
163.11179	5.4
163.14822	2.6
165.12811	1.3
169.10083	1.5
171.11707	1.9
173.09634	1.5
173.10316	1.1
173.11754	11.2
173.13290	4.9
175.11223	1.1
175.14844	2.4
176.40839	0.9
177.16237	1.0
181.12238	1.5
183.63670	0.9
185.11739	0.9
185.13284	2.6
187.14828	2.7
189.11209	1.6
189.16458	0.8
191.10681	1.3
193.12291	2.6
197.13298	1.3
199.13333	7.6
199.14856	1.3
201.16389	0.9
203.12820	1.3
209.11757	2.3
211.13290	2.0
215.88535	1.0
217.14291	2.1
227.12846	6.0
229.12082	1.7
229.14377	33.2
231.21382	0.9
241.19502	1.0
243.21095	3.4
245.13878	3.7
257.13824	1.7
259.20578	2.8
261.22159	12.6
267.15866	3.6
277.21713	1.9
283.15353	1.7
289.21704	1.1
299.14771	1.2
299.23505	1.0
301.11334	0.9
301.16501	17.0
315.23279	1.9
317.24838	2.2
319.17529	1.7
327.23026	1.3
333.24124	1.5
335.25818	68.3
336.26056	2.2
363.25385	2.1
459.34583	1.5
477.35870	11.4
489.35764	14.3
525.35461	1.0
543.36584	3.6
561.37964	7.9
562.37988	1.0
579.38770	5.0
610.02295	1.0
800.18890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.5
57.03422	0.6
67.05512	1.4
67.52329	0.5
69.48842	3.9
70.06599	0.7
78.00329	0.6
81.03423	1.5
81.07035	1.0
85.02903	0.6
91.05478	1.4
93.07026	0.7
94.29643	0.6
95.04960	0.6
95.08620	1.2
97.06544	0.7
98.20738	0.9
109.10161	0.9
119.08665	0.6
121.10115	0.7
135.04453	1.6
142.28641	0.5
145.02846	1.5
147.04472	1.1
149.01263	0.6
163.03918	6.3
249.08127	0.6
253.08055	0.6
259.09698	0.7
267.09055	5.8
285.10062	4.3
309.10080	1.0
476.53778	0.6
483.15863	0.6
485.16965	3.6
517.20447	0.9
585.19080	0.7
677.27869	1.0
728.27368	0.7
777.36719	100.0
778.36981	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	777.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.96564	0.5
57.03428	1.6
59.29084	0.5
61.02930	4.3
65.03927	0.6
67.05507	5.3
69.03445	3.0
71.01363	0.6
71.04981	1.3
71.47088	0.6
73.02924	3.4
79.05506	2.5
80.75204	0.7
81.03423	3.4
81.07048	3.0
83.04975	1.0
83.08628	1.5
85.02911	4.2
85.06541	0.7
91.03966	2.6
91.05482	2.9
93.07075	2.1
95.04987	1.2
95.08611	0.9
97.02879	3.0
97.06541	2.1
99.04441	1.0
101.02376	1.2
103.03965	0.7
104.07130	0.8
105.07043	1.1
107.08634	1.5
109.02911	1.0
109.06458	0.7
109.10168	6.3
111.08098	1.0
112.07594	1.0
119.08609	1.4
121.10161	1.8
127.03960	1.7
129.06973	1.0
131.08624	1.2
133.10130	0.7
142.07628	0.6
147.04393	1.2
147.11719	0.7
149.09624	1.2
157.10165	1.5
163.03938	1.1
163.11243	0.7
173.11774	1.6
175.11247	1.8
193.12292	1.5
195.09966	1.1
203.02197	0.6
229.14417	1.9
234.55208	0.6
243.08487	2.3
267.09128	0.7
267.16016	1.5
283.15231	4.1
339.17789	0.6
339.60422	0.6
413.17889	11.3
419.12073	0.7
501.23093	14.2
502.23788	0.8
673.34088	100.0
674.34027	4.7
759.37799	1.0
777.25909	1.0
777.38849	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	777.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
57.03436	2.2
61.02933	5.1
67.05510	3.9
69.03439	3.5
69.07071	2.2
70.06602	0.7
71.01411	0.5
71.04987	0.9
73.02924	3.6
73.52148	0.5
79.05507	3.2
81.03426	4.2
81.07055	4.1
83.04984	1.5
83.08636	1.3
85.02908	5.9
87.04487	0.8
91.03970	2.0
91.05476	5.0
93.07061	3.7
95.04985	1.7
95.08607	2.8
97.02891	4.6
97.06524	1.2
97.10201	0.9
101.02396	1.6
105.07030	2.8
107.05000	1.3
107.08606	1.6
109.02868	1.2
109.10182	1.2
115.03967	0.5
117.07043	1.1
117.93974	0.6
119.08600	2.0
121.10157	1.4
125.09690	0.9
127.03895	1.5
131.08595	0.9
133.10143	2.3
133.18773	0.5
135.11745	0.7
145.10132	1.1
157.10120	0.8
163.11211	1.3
163.59302	0.5
184.07449	0.7
185.04259	0.9
193.12355	0.9
203.05238	0.5
209.11656	0.5
243.08423	3.1
249.11028	0.7
267.16095	0.8
277.22064	0.6
328.64005	0.6
331.19022	0.7
333.20486	0.7
349.18381	0.5
453.21332	0.6
463.61963	0.5
467.18903	4.5
469.20413	4.7
480.30707	0.7
549.26740	2.3
551.28406	2.3
625.34265	0.5
642.36292	0.6
663.64197	0.5
679.33014	0.7
759.39313	1.9
777.40320	100.0
778.40619	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	777.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
57.03434	1.6
61.02936	5.7
63.52687	0.7
67.05512	4.2
68.63448	0.9
69.03445	5.0
69.07070	2.4
69.42558	4.8
73.02927	3.2
79.05503	5.3
81.03425	5.1
81.07061	5.7
83.04983	1.5
83.08625	2.4
83.23348	0.8
85.02915	5.6
91.03957	2.6
91.05488	5.9
93.07050	4.1
95.04982	2.8
95.08633	2.5
97.02897	4.8
97.06561	1.7
97.10156	0.9
98.21515	1.4
99.04442	1.0
101.02392	2.0
105.07006	3.9
107.04996	1.8
107.08613	2.5
109.02892	0.9
109.06555	1.0
109.10181	1.4
119.08592	2.3
119.36676	0.7
121.10189	2.2
129.07056	1.1
131.08571	1.9
133.10155	3.3
135.09232	1.5
135.11768	1.2
147.11745	1.3
149.09746	0.8
157.10110	1.0
175.11227	0.9
185.04204	0.9
193.12325	3.2
243.08585	2.9
263.17715	1.2
290.61560	1.0
313.17706	1.0
331.18732	0.9
416.46332	0.9
469.20477	10.9
471.39249	0.8
541.22650	1.7
549.26996	2.9
597.42883	1.7
615.43469	3.3
627.47388	1.0
679.33051	1.9
759.39490	7.4
777.40143	100.0
778.40680	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	778.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
55.05513	53.4
57.03441	18.6
57.07070	6.4
59.04995	4.0
61.02922	4.6
62.52948	1.7
65.03954	4.8
67.05508	100.0
69.03421	4.7
69.07072	32.2
69.66861	9.9
71.04986	5.0
71.08629	3.2
73.02924	2.1
79.05056	2.9
79.05499	33.0
81.03425	7.9
81.07059	66.9
83.04974	7.9
83.08622	23.0
85.02914	18.4
85.06566	2.6
86.09705	6.1
87.04485	8.1
87.92270	1.8
89.44570	1.5
91.03969	2.2
91.05473	19.0
93.07048	26.1
95.04986	3.5
95.08614	48.1
95.09241	2.4
97.02894	6.6
97.06515	5.7
97.10169	27.2
98.21513	2.4
99.08080	2.9
103.03934	3.0
105.07050	12.1
107.04926	2.5
107.08596	24.4
108.58843	1.8
109.06575	2.9
109.10162	54.4
111.08103	4.1
117.07048	3.6
119.08588	13.6
121.10151	14.1
123.08044	2.8
123.11684	9.8
125.00013	5.1
125.05978	2.1
125.09644	20.6
131.08597	4.0
133.10150	10.2
135.11713	4.5
137.09663	3.0
137.13263	2.6
139.11119	1.8
140.33885	2.1
142.53535	1.7
143.08597	1.9
143.10704	3.9
145.10132	5.2
147.08037	2.0
147.11696	7.9
149.09602	1.8
149.13281	2.9
151.79158	1.8
153.12761	2.8
155.08580	2.7
155.10686	2.8
161.13283	5.7
163.11191	8.3
163.14827	3.0
173.11816	13.0
173.13257	3.0
175.11191	1.9
181.12291	2.0
184.07364	18.9
193.12283	3.8
199.13249	10.9
203.12791	2.7
211.13339	3.0
217.14397	1.9
227.12761	12.5
229.14381	47.5
245.13931	3.7
245.22725	4.7
263.23743	5.3
267.15924	7.8
285.17029	1.9
288.14374	2.3
301.16464	22.8
317.24915	2.1
319.17490	2.1
337.27396	66.2
338.27844	3.4
374.19272	1.7
398.75430	1.8
461.36307	3.4
479.37289	11.3
491.37155	15.2
500.22186	4.1
520.29443	2.0
527.36230	2.2
545.38739	3.1
563.39087	8.0
581.40784	2.3
778.31427	2.4
778.44263	45.4
779.43774	4.1
803.20160	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	778.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.7
55.05267	4.7
55.05516	47.2
57.03447	18.4
57.07077	4.9
59.04984	3.0
61.02926	5.8
65.03955	4.3
67.05511	100.0
68.05843	2.4
69.03445	5.2
69.07084	31.3
70.06601	25.1
70.24523	2.3
71.04999	3.4
71.08664	3.2
71.56083	2.8
78.59579	2.3
79.05499	35.9
81.03409	5.9
81.07064	78.5
83.04986	5.4
83.08630	22.6
85.02924	14.5
85.06541	5.2
86.09710	7.5
87.04465	6.5
87.56585	2.4
91.03936	2.5
91.05505	22.1
92.05828	2.5
93.07054	28.4
95.04982	5.7
95.08617	51.5
97.02910	6.4
97.06544	6.3
97.10177	22.1
98.98478	3.1
99.08103	2.6
103.03981	2.2
105.07066	14.0
107.04994	2.7
107.08611	20.7
108.39440	2.2
109.06506	3.7
109.10164	43.2
111.08092	5.5
118.49190	2.3
119.08624	14.3
120.80503	2.3
121.10140	14.7
123.08128	2.7
123.11716	6.9
125.00008	7.8
125.09663	20.9
127.03887	2.6
131.08586	6.4
131.70679	2.4
133.10129	10.5
135.11714	6.2
137.09636	3.7
139.11131	4.1
143.10680	4.1
145.10150	6.8
147.08017	2.9
147.11739	4.8
155.10620	2.5
161.13246	3.4
163.11241	4.2
173.11774	11.9
173.13107	3.1
180.03976	2.4
181.12308	2.5
184.07344	24.4
189.11214	2.8
191.10719	3.8
193.12228	3.0
199.13359	8.2
209.11778	5.7
227.12735	6.9
229.14336	41.3
245.22672	3.3
263.23807	7.6
283.15500	3.4
299.14969	3.0
301.16501	20.6
317.24911	3.2
335.25970	2.6
336.25638	2.5
337.27411	87.9
338.27856	3.7
365.26709	4.2
479.37540	10.8
491.37283	21.5
544.70044	2.5
545.38232	6.6
563.39484	14.2
581.39740	3.2
606.43402	12.1
624.43976	3.5
778.43738	11.8
779.41296	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	778.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
55.05513	53.4
57.03441	18.6
57.07070	6.4
59.04995	4.0
61.02922	4.6
62.52948	1.7
65.03954	4.8
67.05508	100.0
69.03421	4.7
69.07072	32.2
69.66861	9.9
71.04986	5.0
71.08629	3.2
73.02924	2.1
79.05056	2.9
79.05499	33.0
81.03425	7.9
81.07059	66.9
83.04974	7.9
83.08622	23.0
85.02914	18.4
85.06566	2.6
86.09705	6.1
87.04485	8.1
87.92270	1.8
89.44570	1.5
91.03969	2.2
91.05473	19.0
93.07048	26.1
95.04986	3.5
95.08614	48.1
95.09241	2.4
97.02894	6.6
97.06515	5.7
97.10169	27.2
98.21513	2.4
99.08080	2.9
103.03934	3.0
105.07050	12.1
107.04926	2.5
107.08596	24.4
108.58843	1.8
109.06575	2.9
109.10162	54.4
111.08103	4.1
117.07048	3.6
119.08588	13.6
121.10151	14.1
123.08044	2.8
123.11684	9.8
125.00013	5.1
125.05978	2.1
125.09644	20.6
131.08597	4.0
133.10150	10.2
135.11713	4.5
137.09663	3.0
137.13263	2.6
139.11119	1.8
140.33885	2.1
142.53535	1.7
143.08597	1.9
143.10704	3.9
145.10132	5.2
147.08037	2.0
147.11696	7.9
149.09602	1.8
149.13281	2.9
151.79158	1.8
153.12761	2.8
155.08580	2.7
155.10686	2.8
161.13283	5.7
163.11191	8.3
163.14827	3.0
173.11816	13.0
173.13257	3.0
175.11191	1.9
181.12291	2.0
184.07364	18.9
193.12283	3.8
199.13249	10.9
203.12791	2.7
211.13339	3.0
217.14397	1.9
227.12761	12.5
229.14381	47.5
245.13931	3.7
245.22725	4.7
263.23743	5.3
267.15924	7.8
285.17029	1.9
288.14374	2.3
301.16464	22.8
317.24915	2.1
319.17490	2.1
337.27396	66.2
338.27844	3.4
374.19272	1.7
398.75430	1.8
461.36307	3.4
479.37289	11.3
491.37155	15.2
500.22186	4.1
520.29443	2.0
527.36230	2.2
545.38739	3.1
563.39087	8.0
581.40784	2.3
778.31427	2.4
778.44263	45.4
779.43774	4.1
803.20160	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	778.5393
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05496	0.4
56.05038	1.6
58.06597	0.7
59.37786	0.3
60.07888	0.4
60.08165	6.2
65.40535	0.3
67.05499	0.6
69.07073	0.3
70.06603	0.6
71.07381	3.9
71.55493	0.3
79.05477	0.7
81.07066	0.8
86.09711	31.4
91.05534	0.5
93.07051	0.4
95.08602	0.4
98.98476	4.6
103.57743	0.3
104.10754	2.5
116.07090	0.6
119.08630	0.5
121.10119	0.4
125.00014	23.4
129.69756	0.3
130.08607	0.5
131.08481	0.4
151.07549	0.4
184.07350	100.0
185.07529	0.5
187.82480	0.3
778.54218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05514	1.8
57.03436	2.3
61.02932	4.9
67.05511	3.9
69.03435	2.8
69.07074	2.3
69.27226	4.0
71.05007	0.9
73.02923	3.4
79.05499	4.2
81.03422	3.4
81.07071	3.5
83.04995	0.8
83.08629	1.1
85.02921	5.7
88.43706	0.4
91.03985	2.3
91.05495	3.7
93.07062	3.1
95.04984	2.1
95.08612	2.1
97.02897	3.3
97.06575	1.1
97.10204	0.6
99.04456	1.2
101.02399	1.6
105.07030	3.0
106.85687	0.4
107.08614	1.5
109.02921	0.7
109.06551	0.6
109.10173	0.7
111.08085	0.5
117.07034	0.6
119.08601	2.6
121.10173	1.3
125.09670	0.7
127.03944	1.2
129.06982	0.8
131.08598	1.1
133.10141	1.5
135.11729	1.1
137.07867	0.4
145.04921	0.4
145.10130	0.8
147.08168	0.5
147.11710	1.2
149.09703	0.4
151.47993	0.5
157.10155	1.5
169.43832	0.4
175.11285	0.8
184.07372	0.9
193.12273	1.3
211.13252	0.7
243.08466	2.7
251.12723	1.1
307.15393	0.6
333.20413	1.8
349.16974	0.7
430.94598	0.5
439.19547	0.7
469.11279	0.5
469.13531	0.6
469.20380	7.4
469.26083	0.6
535.29089	0.5
551.28247	4.8
758.43866	0.5
779.41882	100.0
780.42120	6.5
805.40271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05517	3.1
57.03451	2.5
59.04995	0.7
61.02933	5.7
67.05511	8.4
69.03442	3.2
69.07077	2.1
69.89067	2.1
71.04997	1.2
73.02921	5.2
73.83142	0.5
79.05502	5.0
81.03426	4.1
81.07063	8.2
82.11310	0.4
83.04970	0.4
83.08622	1.3
85.02911	5.6
87.04468	0.9
91.03967	3.7
91.05500	3.1
93.07052	5.7
95.04942	1.1
95.08605	5.1
97.02893	5.4
97.06542	0.5
97.10182	0.9
99.04462	1.5
101.02399	1.9
105.07032	2.9
107.08605	2.9
109.02941	0.9
109.10174	3.3
117.07025	0.7
119.08571	1.8
121.10123	2.6
123.11733	0.9
125.09599	0.7
127.03923	1.7
129.07057	0.6
131.08572	1.1
133.10143	1.3
135.11763	0.8
145.10095	0.6
147.11703	1.0
149.09663	0.8
153.17203	0.4
157.10155	0.6
193.12277	0.6
203.05348	0.6
229.14404	1.2
230.14726	0.8
243.08376	2.7
267.16202	0.4
283.15179	5.2
301.16489	0.6
327.26297	0.5
335.25909	0.9
337.27560	1.3
338.27914	1.5
341.57889	0.5
501.22989	5.5
519.29413	8.0
716.67358	0.5
779.45532	100.0
780.45807	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	779.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05516	2.2
57.03441	1.8
59.05015	0.5
61.02932	5.6
65.03941	0.4
67.05510	6.4
69.03435	3.4
69.07087	1.3
70.70434	1.0
71.05008	1.3
73.02923	4.1
79.05498	4.6
81.03424	2.7
81.07064	5.4
83.04991	0.7
83.08632	1.1
85.02917	5.7
87.04480	0.6
91.03967	3.8
91.05475	3.0
93.07045	4.1
95.04990	1.3
95.08617	3.8
97.02900	5.8
99.04469	1.0
101.02388	2.1
103.03934	0.5
105.07023	2.0
107.08602	2.1
109.02946	0.4
109.06503	0.6
109.10175	2.4
111.08073	0.5
115.03873	0.4
119.08590	1.0
121.10146	1.8
125.09715	0.7
127.03970	1.0
129.07034	0.5
131.08582	0.9
133.10170	1.0
135.11714	0.8
137.70901	0.4
145.10156	0.7
146.19969	0.4
147.11673	0.9
149.09668	1.1
159.11818	0.4
161.28297	0.5
163.73828	0.4
175.11279	0.5
185.04318	0.4
193.12308	1.0
229.14438	0.4
243.08464	2.9
256.93069	0.4
267.15948	0.6
283.15176	4.5
335.25961	1.0
337.27628	0.5
339.18008	0.8
492.38300	0.6
501.22986	5.6
519.29340	8.0
779.45544	100.0
780.45990	6.9
782.71155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.1
55.05518	0.1
55.46894	0.1
56.96561	0.1
57.03442	0.6
65.03941	2.0
67.05508	0.2
69.07056	0.1
70.59860	0.2
70.60229	0.2
79.05483	0.2
81.03411	0.2
81.07077	0.1
85.02893	0.2
89.03948	0.2
91.05486	16.3
92.05828	0.1
99.00840	0.6
105.07036	0.2
107.05026	0.1
117.03415	0.1
119.04950	35.2
120.05282	0.4
131.04964	0.1
145.02849	0.5
147.04417	100.0
148.04764	1.3
165.05519	0.2
177.05435	0.6
221.08104	7.3
222.08525	0.1
231.33241	0.1
267.09171	0.2
285.10001	0.2
288.17865	0.1
319.08139	1.0
367.11826	1.2
375.10864	0.2
381.12466	0.1
393.11728	1.1
397.12766	0.6
539.15521	41.5
540.15918	1.6
547.75140	0.1
569.16437	0.1
781.21991	0.1
781.38226	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	781.435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.4
57.03456	2.0
57.27192	0.4
61.02936	6.7
67.05515	8.5
69.03430	4.2
69.07084	0.9
70.06627	0.5
70.97276	1.1
71.01386	0.8
71.05017	1.0
73.02927	5.0
79.05508	3.7
81.03436	1.3
81.07061	5.6
83.05022	0.6
85.02918	7.0
87.04480	0.8
91.03956	4.6
91.05480	2.9
93.07054	4.2
95.08604	4.6
97.02917	5.5
99.04494	1.4
101.02406	3.0
105.07095	1.4
107.08656	1.8
109.02906	0.9
109.10166	4.5
109.10734	0.5
119.08643	1.2
121.10196	2.2
127.03967	1.6
131.08629	0.6
133.10181	0.8
135.11726	1.6
147.11725	0.8
159.11761	0.6
159.56752	0.5
173.11821	0.7
184.07411	1.0
195.10129	0.6
204.79179	0.5
243.08496	2.2
328.98511	0.6
335.26025	0.8
413.17798	5.0
519.29279	10.1
534.00635	0.6
617.43671	0.6
691.40344	100.0
692.40460	5.5
728.09808	0.5
763.42139	1.0
781.41687	48.6
782.42078	3.6
814.57129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05599	0.9
57.03551	1.0
61.02695	0.9
61.03043	3.9
67.05223	1.3
67.05630	6.2
69.03139	0.7
69.03557	2.4
69.07172	0.6
70.06698	0.4
70.22852	1.2
71.05091	0.6
73.02609	0.7
73.03047	2.6
74.94981	0.3
79.05637	1.9
81.03119	0.4
81.03544	1.0
81.07206	2.6
83.08738	0.5
85.02504	0.7
85.03059	4.0
86.09818	0.4
87.04579	0.4
88.38986	0.3
91.04121	2.7
91.05661	1.2
93.07214	1.6
95.05142	0.3
95.08781	1.8
97.02378	0.8
97.03069	3.5
99.04579	0.7
101.01944	0.6
101.02551	1.2
105.07166	0.6
107.08720	0.6
109.02996	0.6
109.09546	0.8
109.10345	6.5
111.08218	0.4
117.07172	0.3
119.08752	0.7
120.19855	0.3
120.47722	0.3
121.10294	0.8
127.04130	1.5
131.08685	0.3
135.11836	0.4
137.09689	0.3
145.05171	0.5
155.10886	0.5
159.11961	0.3
173.11769	2.0
184.07625	1.2
185.04485	0.8
195.10168	0.5
203.05527	0.3
229.14767	0.9
243.08412	1.6
251.12611	0.3
335.26019	0.5
413.17868	9.7
413.22910	0.6
414.18118	0.3
517.60486	0.4
519.29443	4.3
691.40295	100.0
692.40540	5.0
763.41638	1.0
781.42157	11.0
782.42505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
55.05514	2.4
57.03436	2.7
61.02932	6.8
64.00335	0.6
67.05499	5.4
69.03431	3.5
69.07068	1.9
70.06591	2.3
71.05019	1.0
71.55104	0.9
73.02919	3.7
79.05491	4.7
81.03432	2.7
81.07060	5.5
85.02909	5.4
86.09712	1.1
87.04461	1.0
91.03972	3.1
91.05513	2.6
93.07030	5.2
94.69134	0.6
95.04990	0.8
95.08612	4.5
97.02907	4.9
97.06530	1.1
99.04465	0.8
101.02390	1.8
105.07056	2.5
107.08622	2.6
109.02889	1.5
109.10186	1.9
117.07029	1.1
118.39537	0.6
119.08619	1.4
121.10173	2.7
124.41300	0.7
127.03936	1.5
131.08578	0.9
133.10164	0.9
135.11755	1.2
145.10132	1.1
155.03574	0.8
159.84122	0.6
163.11212	0.6
173.61867	0.6
184.07394	1.5
201.23808	0.6
243.08473	2.0
243.10806	0.7
285.13138	2.3
335.25928	1.1
485.19867	1.4
503.21082	2.7
519.29285	10.5
540.27728	0.7
763.42419	5.4
781.43384	100.0
782.43280	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	781.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05521	1.2
57.03438	2.1
57.07066	0.3
61.02933	6.3
65.03931	0.3
67.05510	7.6
69.03431	3.6
69.07082	1.1
69.28384	0.9
69.28810	1.2
70.06586	0.7
71.01346	0.6
71.04982	0.8
73.02551	0.4
73.02924	4.6
79.05504	3.1
81.03428	1.6
81.07060	4.6
83.04958	0.4
83.08620	0.5
85.02910	5.8
86.09736	0.6
87.04462	0.5
91.03961	4.2
91.05476	1.8
93.07049	3.6
95.04980	0.6
95.08613	3.7
97.02899	4.8
99.04449	1.0
101.02406	1.7
103.03960	0.6
105.07048	1.0
107.08588	1.9
109.02908	0.8
109.06492	0.3
109.10160	4.6
111.08093	0.4
115.03955	0.5
117.07060	0.5
119.08603	1.1
121.10171	1.7
123.11751	0.5
127.03938	1.7
131.08589	0.7
133.10170	0.5
135.11737	0.8
145.05013	0.3
145.10179	0.5
147.11755	0.3
149.13298	0.3
155.10701	0.4
161.13370	0.3
173.11763	1.0
175.14966	0.3
180.26514	0.3
184.07326	0.4
185.04233	0.6
195.02950	0.4
195.09995	1.0
203.05380	0.5
229.14473	0.6
243.08455	2.3
251.12563	0.3
258.92117	0.3
285.92023	0.3
335.22446	0.3
335.25711	1.3
413.17853	5.6
413.23026	0.4
459.29626	0.3
507.58218	0.3
518.74359	0.3
519.29346	9.7
529.35425	0.3
560.75360	0.2
691.40314	100.0
692.40552	5.5
735.42920	0.9
763.42297	0.8
781.42761	7.2
782.42999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05400	0.5
57.03306	0.7
57.03599	0.5
61.02775	2.5
61.03136	1.6
65.03805	0.3
67.05348	4.8
67.05753	2.5
69.03271	1.5
69.03700	0.8
69.06922	0.6
69.07265	0.4
70.72506	0.8
71.01241	0.4
71.04875	0.5
71.05196	0.3
73.02753	2.8
73.03214	1.1
79.05308	1.3
81.03236	1.0
81.06881	2.7
81.07420	0.9
83.08489	0.4
83.08910	0.3
85.02717	3.7
85.03288	1.0
85.06397	0.4
86.09544	0.3
87.04320	0.4
91.03766	2.4
91.04385	0.6
91.05291	1.0
93.06847	1.7
93.07483	0.4
95.08405	2.1
95.09073	0.6
97.02690	3.1
97.03409	0.7
99.04237	0.9
101.02174	1.0
101.02876	0.6
103.03809	0.6
105.06895	0.5
106.12754	0.2
107.08404	1.1
109.02719	0.6
109.09944	5.4
109.10770	1.0
115.03790	0.4
119.08356	1.0
121.09947	0.7
123.17269	0.2
124.99834	0.3
127.03695	1.1
127.24494	0.3
131.08411	0.5
133.09991	0.5
135.11526	0.6
145.04819	0.6
155.10420	0.6
170.20961	0.3
173.11731	1.8
184.07155	0.6
185.03944	0.8
195.09798	0.6
203.05106	0.4
229.14380	1.4
231.83131	0.3
243.08469	2.6
335.25635	0.5
413.17880	10.3
414.18030	0.4
457.19897	0.3
518.59082	0.3
519.29376	5.5
529.34863	0.4
555.34454	0.4
691.40314	100.0
692.40674	5.0
735.42914	0.6
763.42456	0.8
781.42853	10.7
782.43671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
55.05472	1.0
57.03439	1.8
59.04968	0.4
61.02934	5.3
67.05512	6.7
67.05848	0.3
69.03437	3.3
69.07024	0.9
69.36671	0.3
69.66968	1.5
69.67381	0.4
71.01306	0.4
71.04947	0.6
73.02931	3.3
79.05505	2.8
81.03377	1.1
81.07066	3.7
82.11012	0.3
83.04939	0.3
83.08579	0.6
85.02914	5.2
87.04414	0.3
91.03970	3.9
91.05501	1.5
93.07054	2.5
95.08624	2.9
97.02914	4.8
98.20795	0.3
99.04418	0.8
101.02386	2.0
105.06971	0.8
107.08556	1.2
109.02821	0.8
109.10170	4.7
113.27002	0.3
117.07011	0.6
119.08528	1.0
121.10122	0.9
123.11732	0.5
127.03923	1.9
131.08540	0.5
133.10034	0.4
135.11681	0.7
137.09546	0.6
145.10136	0.5
147.11691	0.4
155.10699	0.3
171.57230	0.2
173.11671	1.3
173.13091	0.4
184.07303	0.4
185.04230	0.9
187.14708	0.3
195.09892	1.0
205.65489	0.3
214.47516	0.3
229.14359	0.8
235.27177	0.3
243.08455	2.3
248.03827	0.3
335.25931	0.7
362.99286	0.3
389.38348	0.3
413.17871	7.3
469.28467	0.3
519.29364	7.7
589.24725	0.3
691.40350	100.0
692.40735	5.2
735.41742	0.4
760.43219	0.3
763.41956	0.8
781.41974	14.3
782.41681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05524	2.0
56.88428	0.2
57.03442	1.8
57.07085	0.4
59.05002	0.7
60.66628	0.2
61.02934	6.2
63.44016	0.2
65.03950	0.5
67.05510	6.3
67.09074	0.2
69.03436	3.5
69.07071	2.4
69.35002	0.2
71.01382	0.6
71.04998	1.2
73.02928	4.3
73.03308	0.4
73.72475	0.3
77.73867	0.2
79.05495	3.4
81.03418	3.1
81.07063	6.0
83.01360	0.3
83.05001	0.5
83.08620	1.4
85.02917	5.4
85.10212	0.3
86.09740	0.6
87.04478	0.6
91.03956	3.1
91.05486	2.4
93.07043	2.3
94.73729	0.3
95.04996	1.1
95.08612	4.8
95.09176	0.5
97.02898	5.3
97.06535	0.8
97.10199	0.6
98.21512	0.7
99.04463	0.9
99.08005	0.3
101.02391	1.7
105.07025	1.7
107.08614	1.6
109.02910	1.0
109.10164	2.1
111.04466	0.4
111.08124	0.6
119.08587	1.5
119.63557	0.3
121.10139	1.9
123.08113	0.6
123.11754	0.8
125.00040	0.5
125.93290	0.3
127.03969	1.4
129.07018	0.5
131.08574	0.9
133.10173	1.1
137.09578	0.3
145.05049	0.4
145.10184	0.3
147.11731	1.1
149.09659	1.1
157.10201	0.4
161.13329	0.4
163.11183	0.3
165.12790	0.4
174.97011	0.3
175.11244	0.3
184.07339	2.4
185.04332	0.7
185.07794	0.3
193.12354	0.6
203.05420	0.4
225.15021	0.6
233.11569	0.4
243.08441	2.3
267.15988	0.7
283.15189	5.1
313.27420	0.4
337.27481	0.5
339.18045	0.6
339.29019	0.3
340.29135	0.5
501.23071	7.1
521.30951	6.5
521.38342	0.7
522.31537	0.3
781.47113	100.0
782.47321	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.0
55.05262	2.1
55.05514	29.7
57.03449	9.8
57.07076	2.8
59.06117	1.4
61.02940	7.2
62.98744	1.1
65.03937	3.9
67.05508	65.8
69.03440	6.2
69.06721	1.5
69.07072	16.6
71.05000	4.5
73.02918	2.2
76.64401	1.2
79.05499	53.7
79.05968	2.6
81.03437	3.3
81.07063	59.8
83.04996	5.8
83.08626	11.7
85.02918	6.9
85.06524	2.3
91.03933	1.9
91.05483	61.1
92.05792	1.3
93.07047	50.1
95.04985	8.6
95.08618	40.0
95.34286	1.1
97.02904	4.2
97.06536	6.9
97.10174	4.0
98.21494	3.5
99.08088	2.1
103.05468	4.7
105.04567	1.8
105.07038	48.9
107.04975	3.5
107.08601	22.2
109.06556	5.9
109.10158	12.1
110.95072	1.1
111.08108	4.0
115.05476	5.6
116.06262	4.1
117.07023	31.2
119.04986	2.1
119.07787	2.2
119.08589	28.5
121.06506	3.8
121.10168	16.4
123.08052	6.6
123.11707	4.0
125.09636	2.4
128.06229	16.2
129.07019	22.8
130.07787	7.3
131.08578	54.4
132.08852	1.4
133.06534	6.2
133.10132	15.4
135.08064	4.0
135.11725	9.0
137.09601	2.2
137.13284	1.5
139.11177	1.4
140.34389	1.2
141.06996	8.7
142.07800	4.9
143.08566	60.2
145.06477	2.5
145.10132	55.1
147.08034	8.6
147.11716	8.2
149.09639	4.1
149.13252	4.3
151.07527	1.5
151.11119	1.3
153.07002	2.3
154.07735	2.1
155.06041	1.7
155.08560	8.2
156.09482	1.1
157.10127	17.5
159.08049	4.3
159.11684	16.5
161.09627	7.3
161.13235	5.9
163.11212	4.6
165.07065	2.1
166.07797	1.3
167.08585	3.4
169.10144	12.3
170.10437	1.2
171.08006	1.7
171.11662	13.1
173.09627	2.0
173.13286	3.9
175.11252	6.0
177.12810	3.2
181.10121	11.2
183.11734	6.9
184.07414	2.3
185.13245	6.6
187.11134	1.7
187.14876	1.3
189.12753	1.2
195.11687	11.7
197.13303	1.8
199.11205	2.3
199.14853	2.1
201.41658	1.4
208.12418	1.7
209.13268	3.2
211.14868	1.8
213.12892	1.3
222.14000	1.4
227.17825	5.3
237.16368	14.6
243.21362	1.4
245.19107	3.6
255.17502	18.0
259.20490	1.7
261.22186	3.6
273.18506	49.3
274.18747	1.4
291.19659	2.5
329.21204	5.5
335.25812	100.0
336.25992	2.7
347.22195	26.4
405.79776	1.3
552.88165	1.3
607.43616	40.3
608.43762	1.8
625.44208	3.4
668.64612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.4
55.05518	48.4
57.03461	15.0
57.07066	3.9
61.02924	7.9
61.32847	1.9
62.26018	2.0
63.42995	1.8
64.20350	2.0
65.03941	5.2
67.05515	78.3
69.03435	7.7
69.06785	1.9
69.07086	21.4
69.09866	1.7
70.79108	2.9
70.79445	3.8
71.05009	4.4
73.02925	3.0
73.06576	2.0
77.03925	3.0
79.05501	68.9
79.05962	3.4
81.03428	6.9
81.07065	82.9
83.04990	8.5
83.08632	16.2
85.02898	8.0
91.03945	3.9
91.05492	86.6
91.21046	2.0
93.07056	68.1
95.04977	9.1
95.08616	49.4
97.02889	6.9
97.06532	8.0
97.10165	9.0
99.08123	4.1
103.05492	3.0
105.04503	2.8
105.07040	69.5
106.12125	1.9
107.04945	6.9
107.08614	27.9
109.06528	12.2
109.10165	16.0
111.08100	5.7
115.05462	8.9
116.06238	5.7
117.07034	50.7
119.08589	36.7
121.06522	9.2
121.10156	19.8
123.07281	2.0
123.08022	9.6
123.11690	3.4
125.09631	4.9
128.06232	27.0
129.07031	35.9
130.07800	14.1
131.08580	85.3
132.09198	1.9
133.06487	8.9
133.10121	23.3
135.08060	7.7
135.11703	10.0
137.09639	4.2
137.13383	2.2
139.11214	4.8
141.07007	15.1
142.07799	8.3
143.08577	97.8
144.09288	3.9
145.06496	3.3
145.10144	100.0
147.08052	9.8
147.11703	10.4
149.09610	5.1
149.13277	7.6
153.06985	3.9
154.07787	2.4
155.08629	12.7
157.10158	27.1
159.08043	5.4
159.11693	18.8
161.09610	18.2
161.13251	4.4
163.11148	4.6
165.06935	2.4
166.07773	3.2
167.08591	3.7
169.10150	21.0
171.11716	20.8
173.09630	5.6
173.13278	5.1
175.11201	6.8
177.12769	5.5
180.09361	2.8
181.10152	13.8
183.11679	8.8
185.09735	3.7
185.13289	7.7
189.12704	2.8
195.11740	21.2
197.13313	3.4
199.11192	5.0
199.14854	3.1
201.12782	4.4
209.13206	4.1
211.14967	3.9
213.12773	4.5
227.14351	2.7
227.17987	5.0
237.16454	20.6
241.14470	2.8
245.19072	6.9
255.17451	21.6
261.22040	4.9
273.18542	75.6
280.99762	2.1
291.19547	7.4
311.19812	2.3
323.23566	2.2
329.21054	10.8
335.25824	82.5
336.26303	2.4
347.22244	43.0
348.22827	2.3
381.54367	2.6
404.65445	2.1
422.85498	2.2
561.37274	4.6
607.43573	56.8
625.43958	5.0
787.45667	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	788.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	16.4
55.05514	42.7
57.03442	33.0
59.04993	4.3
61.02918	9.4
65.03941	8.0
67.05510	86.7
69.03434	23.2
69.07073	41.9
71.05002	23.9
73.02924	6.5
79.05497	100.0
81.03422	52.7
81.07065	78.5
83.01359	6.2
83.04993	28.9
83.08626	24.0
85.02911	20.1
85.06544	4.2
91.03978	4.0
91.05489	80.1
93.07047	78.2
94.27258	3.2
95.04976	35.8
95.08607	38.9
97.02921	17.8
97.06539	81.5
97.10167	4.8
99.04443	6.0
99.08111	4.1
105.07040	60.0
107.04968	32.9
107.08609	44.8
109.02908	6.2
109.06529	28.8
109.10165	21.7
111.04462	4.8
111.08086	15.9
115.05440	4.0
115.07553	14.9
116.57584	3.1
117.07043	25.4
119.04951	4.6
119.08597	39.7
121.06495	12.2
121.10150	23.7
123.04456	3.3
123.08066	15.7
123.11736	4.5
125.05990	3.9
125.09605	8.5
127.03912	10.4
127.07510	3.7
129.07001	14.5
131.08574	35.0
133.06577	7.1
133.10153	35.9
135.08073	19.4
135.11722	11.9
137.09602	6.1
141.07039	3.1
142.07684	3.2
143.08578	9.9
145.05031	3.2
145.06467	6.5
145.10127	33.6
147.04382	5.4
147.08075	9.8
147.11693	12.5
149.09644	8.0
149.13293	10.7
151.11169	9.5
152.53180	3.2
155.08513	6.9
157.10097	12.4
159.08093	6.1
159.11679	9.6
161.09592	8.7
163.07584	6.2
163.11197	28.1
169.09988	3.5
171.11717	9.5
173.04443	5.9
173.09669	7.8
173.13286	4.5
175.11205	8.7
177.09196	3.6
177.12756	4.6
181.12248	6.2
183.11913	3.7
189.11270	5.9
191.10684	9.2
192.03915	3.1
193.12241	20.1
199.14847	4.4
209.11711	6.6
211.13310	12.9
217.15947	8.5
221.15414	3.7
227.12801	12.2
229.19563	3.4
253.14273	16.0
267.15900	12.5
269.17462	11.9
271.16977	6.5
273.18488	28.3
275.19916	3.3
283.15390	75.2
285.16956	16.0
289.17932	16.4
291.19568	19.7
299.14789	5.3
307.19070	12.3
347.22064	10.5
363.21802	4.8
365.23221	11.6
381.22690	13.3
477.28476	29.7
479.26108	3.6
515.30591	5.9
555.32721	10.1
560.86053	4.2
573.34204	23.7
591.35406	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	789.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
55.05511	14.1
55.41565	1.9
57.03441	14.1
57.07075	2.0
65.03947	3.4
67.05511	35.9
69.07077	11.4
71.05023	1.9
71.55279	2.2
71.55707	3.8
79.05491	30.4
81.03392	2.3
81.07058	40.3
83.04961	3.2
83.08608	5.9
86.09703	6.8
91.05489	37.0
93.07047	34.4
95.04973	4.7
95.08614	27.8
97.06518	4.0
97.10197	3.5
97.23039	1.9
99.08110	2.6
105.07032	26.8
107.04939	4.1
107.08637	16.8
109.06499	5.3
109.10150	13.2
117.07017	8.4
119.08587	22.0
121.10153	9.8
123.08051	3.5
123.11684	2.2
125.00001	6.2
127.08514	2.1
129.06995	3.7
131.08600	17.7
133.10117	20.6
135.08075	4.2
135.11679	5.9
137.09660	1.9
143.08559	2.6
145.10124	8.6
147.11685	6.9
149.09622	4.1
159.11694	7.8
161.13252	5.2
173.13217	2.2
175.14842	2.2
184.07376	20.5
185.13200	3.1
201.16400	4.0
203.14293	3.0
219.17456	100.0
257.19135	2.9
275.20126	25.9
308.47784	2.1
335.25812	61.5
349.23819	17.6
609.45123	72.0
610.45154	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	789.515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.1
55.05511	39.5
57.03448	23.6
64.59376	4.6
65.03939	6.6
67.05507	85.2
69.03438	8.7
69.07074	18.5
70.84548	10.5
71.04972	4.2
73.75578	3.6
79.05502	63.5
81.03409	11.0
81.07062	100.0
82.56707	4.3
83.04984	11.2
83.08586	18.3
85.02925	7.4
85.06540	5.9
86.09719	9.0
91.05486	80.5
93.07053	72.5
95.04942	9.1
95.08606	59.8
97.02909	7.4
97.06523	13.5
97.10178	6.6
105.07037	47.0
107.04974	7.3
107.08597	42.1
109.06522	11.0
109.10175	24.1
117.07018	30.5
119.08595	39.5
121.06503	4.1
121.10189	24.5
123.08083	7.3
123.11697	7.9
124.99994	6.6
125.09678	4.6
128.06238	7.8
129.07008	9.8
131.08583	45.6
133.10138	34.7
135.08041	7.7
135.11710	17.1
137.09637	5.8
141.06947	4.7
143.08574	20.8
145.10136	38.2
147.08115	5.9
147.11708	14.1
149.09641	7.5
149.13223	9.4
157.10143	9.9
159.11696	13.9
161.09583	3.9
161.13304	8.1
163.11136	6.3
168.09053	4.0
169.10178	7.4
171.11769	6.3
172.89439	4.6
173.13280	7.6
176.70157	4.4
177.12737	4.0
179.14304	4.3
183.11777	6.8
184.07347	38.3
185.13266	4.2
219.17461	33.9
229.14262	4.3
255.17422	3.9
257.19046	8.3
261.22137	7.9
273.18466	13.8
275.20053	38.6
335.25848	89.4
336.26144	5.5
337.27359	15.5
347.22397	4.5
349.23596	21.0
402.86404	4.2
450.44516	3.9
529.38696	12.5
563.38971	8.5
569.41479	4.6
609.45166	43.4
627.45990	6.0
789.46106	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	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.8
55.05515	34.7
57.03439	31.7
57.07069	3.3
59.05011	2.1
61.02921	7.7
63.92902	1.9
65.03938	5.5
65.36893	1.7
67.05511	94.7
69.03436	23.9
69.07075	59.2
69.88696	7.9
71.05000	25.9
72.58889	1.8
73.02917	10.4
79.05501	95.8
79.05964	4.7
81.03426	77.2
81.07066	96.1
82.03726	2.2
82.07380	1.9
83.04993	32.5
83.08635	27.2
85.02915	36.3
85.06541	8.9
91.03957	4.6
91.05492	86.8
93.06467	3.6
93.07055	69.5
95.04983	41.8
95.08617	36.4
95.33840	1.9
97.02897	19.2
97.06544	100.0
97.10164	9.7
99.04473	4.3
99.08127	9.4
99.16561	1.8
103.05479	3.6
105.04543	3.5
105.07041	58.1
107.04980	20.1
107.08609	37.9
109.02876	5.3
109.06527	23.7
109.10157	15.8
111.04441	5.1
111.08087	20.1
113.06024	4.1
115.05446	5.7
115.07590	28.8
117.07017	23.5
119.04915	3.2
119.08598	43.7
121.06509	10.2
121.10144	25.4
123.04395	2.2
123.08102	10.9
123.11723	6.5
125.09660	6.4
127.03925	5.7
127.07557	4.4
128.06227	5.9
129.07007	29.0
131.04872	2.7
131.08582	40.4
133.06496	9.4
133.10164	33.4
135.08080	15.4
135.11726	9.2
137.09627	5.3
141.06976	4.6
142.07794	4.5
143.08556	12.6
145.06509	4.6
145.10118	19.5
147.04466	3.8
147.08063	14.5
147.11703	21.9
149.09653	14.9
149.13271	10.4
151.11156	4.6
155.08559	3.6
157.10124	18.4
159.08015	2.5
159.11726	14.6
161.09647	5.7
161.13335	2.9
163.03891	2.1
163.11163	8.9
165.12721	4.2
169.10147	4.8
171.11710	7.8
173.04495	3.8
173.09642	4.6
175.11192	18.7
175.14833	2.2
177.12753	6.8
181.10213	2.9
181.12273	3.5
183.11732	3.1
185.13284	3.4
187.11119	3.3
189.11208	2.8
189.12775	2.1
191.14421	2.2
193.12262	48.8
194.12541	2.0
195.13818	4.3
199.11162	3.8
199.14911	3.5
201.12732	2.0
203.14316	2.4
205.12378	2.0
211.13303	66.3
217.15875	15.5
219.13872	2.9
221.15337	3.0
227.12851	4.9
227.18044	3.1
229.14452	2.6
233.15424	4.6
241.10680	2.8
245.19087	5.7
249.14754	3.4
253.14305	8.4
255.17558	5.2
267.09091	2.5
267.15964	23.8
269.17526	25.0
273.18515	44.5
273.21243	3.8
275.20068	5.4
283.15387	7.5
285.16995	62.6
291.19608	26.1
307.19025	3.0
340.23456	2.1
347.22244	16.3
349.23865	3.8
365.23117	16.4
437.25598	3.1
443.27817	2.3
447.28540	2.3
461.29080	10.6
465.28745	3.5
477.28931	5.0
479.30179	23.3
483.31131	2.6
499.30618	3.0
506.14047	2.0
507.29156	3.5
517.31696	3.9
529.34442	2.3
539.33606	4.5
557.34857	18.2
575.36267	14.3
593.36774	6.4
664.39130	2.7
740.44672	2.7
744.46136	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	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.7
55.05513	28.3
57.03430	14.5
66.22053	4.2
67.05508	65.7
69.03417	6.4
69.07058	19.4
71.04981	14.0
71.54979	4.0
79.05499	62.0
81.03426	61.2
81.07061	57.2
83.04981	8.6
83.08627	18.8
85.02906	8.5
85.06557	8.9
86.09721	5.7
86.66376	4.0
91.05489	57.7
93.07047	56.2
95.04955	23.7
95.08610	37.5
97.02920	7.9
97.06529	8.1
97.10166	15.0
105.07042	52.2
107.04980	9.4
107.08602	36.2
109.06557	9.9
109.10172	28.6
111.08069	7.7
117.07058	22.9
119.08591	36.9
121.10153	32.6
123.08096	6.5
123.11696	4.1
125.09640	9.9
128.06160	4.6
129.07002	17.6
131.08569	29.9
133.10172	29.6
135.08073	8.4
135.11658	13.4
137.09612	6.6
141.06963	6.5
142.86903	4.9
143.08539	10.0
145.06509	5.1
145.10126	20.1
145.55180	4.2
147.11699	21.6
149.13292	9.1
151.11223	6.7
155.08597	8.2
157.08926	5.2
157.10143	19.2
159.11757	20.8
161.13289	8.2
163.11165	10.6
169.10165	9.4
171.11726	11.3
173.13234	10.2
175.14905	5.4
183.11716	8.9
184.07372	5.7
185.13286	6.5
186.02158	4.3
187.14850	5.1
190.51645	4.6
193.12306	10.1
225.69220	4.4
227.12675	11.1
229.14259	7.4
246.76239	4.8
259.20584	16.4
267.15933	23.1
268.60367	4.6
275.20068	6.1
293.21042	11.8
299.23743	6.7
333.24271	9.6
411.91980	4.4
421.26147	9.2
433.31119	9.8
451.32059	10.9
469.33542	5.6
525.35791	44.5
543.36884	100.0
557.38367	8.9
575.38525	16.4
582.54138	5.0
594.16614	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	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
55.05268	1.8
55.05517	32.0
55.63313	1.4
57.03443	17.5
57.07070	6.1
59.05006	27.6
61.02928	3.5
65.03927	3.0
67.05511	100.0
69.03427	6.4
69.07074	17.9
70.06578	1.3
71.05005	11.7
71.08625	5.5
71.55335	2.3
79.05499	44.8
81.03428	12.7
81.07066	60.2
83.04967	5.6
83.08626	16.1
85.02918	6.1
85.06553	3.5
86.09710	4.8
87.04477	43.4
89.06047	12.4
91.05480	26.7
91.56322	1.5
93.07051	39.2
94.07359	1.9
95.04999	7.6
95.08610	37.6
97.02901	4.8
97.06532	5.5
97.10184	13.9
99.04467	10.8
103.05470	1.5
105.07034	18.5
106.65822	1.6
107.04952	3.6
107.08595	24.3
109.06551	3.5
109.09461	3.2
109.10166	44.4
111.04414	2.7
117.07014	5.7
119.08594	14.8
121.10161	17.6
123.08042	2.6
123.11739	3.8
125.00009	3.4
125.09647	12.9
129.07054	1.9
131.08549	8.9
133.08614	6.2
133.10130	9.8
135.11716	9.2
136.48402	1.5
137.09660	2.6
137.13213	1.7
143.08557	1.7
144.37212	1.6
145.10161	6.8
147.11725	7.9
149.09563	2.4
149.13243	5.9
153.12776	2.4
155.10600	1.8
157.10190	2.5
159.11661	5.6
161.13268	4.8
163.11180	3.0
163.14813	2.3
173.11760	15.9
173.13286	5.5
175.11127	2.7
175.14874	1.8
177.11247	3.8
177.12720	1.5
184.07352	12.7
185.13202	1.7
187.14890	2.9
192.16228	1.4
193.12216	4.2
197.09270	1.6
199.13306	9.0
199.14952	2.8
227.12788	4.8
229.14392	31.7
241.14276	2.5
243.21085	2.9
257.13986	2.4
261.22174	8.4
267.15894	12.7
275.20065	2.2
283.15390	1.9
294.82513	1.7
299.15121	1.5
315.18134	4.3
333.94888	1.5
335.25824	49.2
336.26178	3.0
337.27341	4.9
354.71646	1.5
363.25220	2.8
363.38104	1.8
477.35724	8.8
489.35779	35.3
529.38879	3.4
531.40479	2.8
547.39923	2.4
575.39532	2.3
610.44897	2.6
620.54871	1.7
711.16693	1.7
723.84113	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	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
55.05268	1.8
55.05517	32.0
55.63313	1.4
57.03443	17.5
57.07070	6.1
59.05006	27.6
61.02928	3.5
65.03927	3.0
67.05511	100.0
69.03427	6.4
69.07074	17.9
70.06578	1.3
71.05005	11.7
71.08625	5.5
71.55335	2.3
79.05499	44.8
81.03428	12.7
81.07066	60.2
83.04967	5.6
83.08626	16.1
85.02918	6.1
85.06553	3.5
86.09710	4.8
87.04477	43.4
89.06047	12.4
91.05480	26.7
91.56322	1.5
93.07051	39.2
94.07359	1.9
95.04999	7.6
95.08610	37.6
97.02901	4.8
97.06532	5.5
97.10184	13.9
99.04467	10.8
103.05470	1.5
105.07034	18.5
106.65822	1.6
107.04952	3.6
107.08595	24.3
109.06551	3.5
109.09461	3.2
109.10166	44.4
111.04414	2.7
117.07014	5.7
119.08594	14.8
121.10161	17.6
123.08042	2.6
123.11739	3.8
125.00009	3.4
125.09647	12.9
129.07054	1.9
131.08549	8.9
133.08614	6.2
133.10130	9.8
135.11716	9.2
136.48402	1.5
137.09660	2.6
137.13213	1.7
143.08557	1.7
144.37212	1.6
145.10161	6.8
147.11725	7.9
149.09563	2.4
149.13243	5.9
153.12776	2.4
155.10600	1.8
157.10190	2.5
159.11661	5.6
161.13268	4.8
163.11180	3.0
163.14813	2.3
173.11760	15.9
173.13286	5.5
175.11127	2.7
175.14874	1.8
177.11247	3.8
177.12720	1.5
184.07352	12.7
185.13202	1.7
187.14890	2.9
192.16228	1.4
193.12216	4.2
197.09270	1.6
199.13306	9.0
199.14952	2.8
227.12788	4.8
229.14392	31.7
241.14276	2.5
243.21085	2.9
257.13986	2.4
261.22174	8.4
267.15894	12.7
275.20065	2.2
283.15390	1.9
294.82513	1.7
299.15121	1.5
315.18134	4.3
333.94888	1.5
335.25824	49.2
336.26178	3.0
337.27341	4.9
354.71646	1.5
363.25220	2.8
363.38104	1.8
477.35724	8.8
489.35779	35.3
529.38879	3.4
531.40479	2.8
547.39923	2.4
575.39532	2.3
610.44897	2.6
620.54871	1.7
711.16693	1.7
723.84113	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	790.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05273	2.2
55.05515	38.7
57.03439	22.0
57.07076	3.4
59.05002	29.3
59.86204	1.4
61.02919	2.1
65.03935	4.1
66.02314	1.6
67.05508	100.0
69.03427	5.7
69.07070	19.3
69.31752	1.4
69.37215	7.5
69.37619	4.1
70.43365	1.3
71.04999	12.4
73.02908	2.4
79.05499	48.3
81.03448	10.2
81.07061	60.4
83.04962	5.3
83.08625	17.0
85.02897	4.3
85.06552	3.2
86.09714	4.8
87.04472	46.6
89.06017	4.7
91.05483	25.9
93.07053	44.7
93.07635	3.3
95.04959	4.2
95.08612	39.4
97.02893	3.6
97.06519	4.8
97.10176	17.9
98.21464	2.3
99.04463	15.6
101.05972	1.8
105.04530	1.6
105.07044	16.5
107.04926	2.6
107.08600	28.1
109.06498	2.3
109.10160	52.8
111.04411	2.7
111.08054	2.6
117.07011	8.0
119.08597	15.0
121.10154	19.0
123.11683	5.7
124.99963	2.6
125.09634	16.0
131.08574	11.4
133.10133	11.7
135.11720	11.1
137.09596	3.1
137.13200	1.6
143.08582	1.8
145.10114	9.1
147.11668	6.6
149.09648	3.2
149.13228	4.8
151.11172	1.9
153.12727	2.1
155.10634	3.1
157.10150	2.5
159.11700	6.3
161.13243	3.8
163.11172	4.4
163.14807	2.5
171.11699	1.4
171.32048	1.5
173.09720	1.9
173.10316	2.2
173.11732	13.3
173.13287	4.7
175.14746	1.8
177.11279	2.1
181.12196	1.8
183.25049	1.6
184.07339	14.9
187.14764	2.3
189.11255	2.2
191.10689	1.9
193.12180	3.1
199.13313	14.0
211.13304	1.7
217.14117	1.6
227.12828	8.6
229.14352	40.1
229.16565	2.6
241.14294	5.3
243.21228	3.8
257.13943	2.4
261.22192	12.1
267.15866	5.4
283.15427	1.6
315.17929	8.2
317.24829	2.0
333.19070	2.4
335.25809	57.4
336.25821	2.6
337.27209	3.8
363.25290	3.2
441.30270	1.6
459.34494	2.4
477.35748	17.5
489.35745	36.3
491.37079	2.5
517.35779	1.6
529.38617	2.5
543.36896	2.8
561.37445	3.2
575.39258	3.7
593.40588	2.4
773.97937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05508	0.3
56.05037	0.8
57.07084	0.2
57.18653	0.1
58.06635	0.4
60.08167	6.4
65.70005	0.1
66.65820	0.1
67.05505	0.4
69.07075	0.3
70.59139	0.4
71.07381	3.9
71.08646	0.2
79.05503	0.4
80.97458	0.2
81.07061	0.6
86.09709	33.5
87.10045	0.2
87.55865	0.1
91.05468	0.3
93.07044	0.6
95.04961	0.2
95.08598	0.5
98.98466	4.3
104.10747	3.0
105.07049	0.2
107.08565	0.1
114.47315	0.1
119.08578	0.3
125.00009	22.4
133.10228	0.1
143.01068	0.2
166.02713	0.3
174.47348	0.2
184.07346	100.0
185.07658	0.8
219.17593	0.1
234.94124	0.1
274.31647	0.1
275.20151	0.2
324.29547	0.1
336.26108	0.3
337.23022	0.1
489.54358	0.1
496.33832	0.2
584.12384	0.1
610.45270	0.2
676.43677	0.1
690.47095	1.1
697.21692	0.2
772.54852	0.8
790.56049	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	792.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	14.6
55.05516	39.7
57.03437	16.3
61.02935	5.6
65.03949	5.9
67.05511	75.9
69.03430	11.0
69.07072	31.5
71.05021	8.6
76.55412	5.9
79.05498	79.2
81.03426	100.0
81.07065	76.9
83.04982	15.1
83.08638	33.0
85.02901	11.7
85.06534	5.8
86.84698	4.8
91.04961	9.2
91.05481	67.3
93.07058	53.4
95.04975	41.0
95.08615	35.1
97.02906	9.1
97.06541	23.9
97.10182	19.7
105.07047	54.1
107.04939	20.7
107.08593	40.7
109.06511	14.2
109.10176	22.3
111.08085	11.0
117.07043	18.1
119.08603	38.0
121.06504	7.8
121.10176	27.9
125.09641	16.6
129.07031	14.9
131.08600	34.7
133.06433	5.5
133.10133	26.0
135.08038	8.4
135.11703	8.9
139.11253	5.7
143.08575	14.4
145.10147	17.2
147.04385	7.1
147.08096	5.4
147.11708	23.9
149.09668	15.5
149.13290	9.8
155.08568	5.8
157.10130	23.5
159.11725	11.2
161.13240	6.6
163.11218	9.0
169.10123	6.8
175.11263	11.2
184.07431	6.7
189.11250	12.0
193.12230	28.4
211.13245	9.9
227.12778	21.1
229.14293	6.3
255.15884	12.4
257.18976	7.7
267.15915	82.3
268.37967	5.0
269.17493	16.7
275.20154	25.9
299.19760	6.3
311.85233	5.3
349.23734	21.4
421.25830	9.3
443.28101	6.6
447.27499	21.7
461.29108	66.8
490.33380	6.4
501.32373	6.7
541.35303	54.9
559.36523	30.0
571.68707	5.2
577.36975	6.0
672.98285	5.7
793.39471	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	15.6
57.03181	1.1
57.03443	9.5
57.07074	2.4
61.02913	2.5
65.03923	3.2
66.13326	0.8
67.05513	54.7
69.03429	1.0
69.07076	14.8
70.78552	2.0
71.05000	2.3
73.12659	0.8
79.05501	35.9
81.03380	1.1
81.07066	51.3
83.04987	1.3
83.08623	7.0
85.02914	1.7
85.06528	1.5
91.03984	1.6
91.04967	1.4
91.05492	20.7
93.07053	38.6
95.04967	3.0
95.08617	42.0
97.02874	1.3
97.06547	2.3
97.10168	2.6
105.04546	0.9
105.06413	0.8
105.07037	18.9
107.08601	22.8
109.06523	1.5
109.10170	18.1
111.08037	1.2
115.05457	1.0
117.07021	6.2
119.08595	15.1
121.09298	1.7
121.10149	19.5
123.08074	0.9
123.11731	6.8
129.07011	1.6
131.08592	10.7
133.10153	11.6
135.11690	11.7
136.10841	0.9
137.13237	2.9
139.11221	1.2
143.08603	1.2
145.10162	8.6
147.11700	11.0
149.13283	7.6
151.14862	1.0
151.63971	0.8
157.10152	1.4
159.11705	7.5
159.37630	0.8
161.13261	6.8
163.14824	4.4
171.11665	2.4
173.13278	7.6
175.14807	3.8
177.16391	2.3
185.13278	2.5
187.14865	2.5
189.16408	1.0
193.87202	1.0
199.14806	1.6
201.16365	1.9
213.16264	1.3
215.17929	1.0
241.19514	3.2
243.21149	5.9
245.22633	1.5
247.20450	1.0
257.18954	0.9
259.20578	7.4
261.22137	14.4
263.23776	1.1
279.23126	1.1
308.22113	1.0
317.24863	4.0
333.24280	5.6
335.25830	100.0
336.26123	3.8
337.27380	10.5
371.04752	1.0
521.43536	1.6
595.47095	13.0
613.48187	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	793.398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.0
61.02927	4.4
67.05500	5.9
69.03426	4.4
69.07066	2.7
69.32210	0.6
69.45733	0.7
70.06602	1.2
70.18743	3.3
71.01343	0.8
71.05006	1.5
73.02914	3.7
79.05502	4.9
81.03416	5.0
81.07077	5.3
83.04982	1.2
83.08617	1.4
85.02917	5.1
91.03966	3.1
91.05484	6.2
93.07050	4.2
95.04968	2.5
95.08605	2.1
97.02897	5.7
97.06532	3.6
99.04479	1.7
101.02393	2.2
105.07045	3.2
107.04986	1.8
107.08614	2.9
109.02856	0.9
109.06527	1.1
109.10163	2.4
111.04469	0.9
117.07050	2.4
119.08611	2.9
121.10130	1.5
123.08086	0.8
125.09679	0.9
125.52054	0.8
127.03938	1.3
129.07021	1.1
131.08614	1.7
133.06491	0.7
133.10164	1.0
135.11751	1.4
145.10141	1.0
147.04456	1.4
151.07512	0.7
163.03918	0.8
163.11288	1.4
174.26320	0.7
185.04320	1.1
243.08594	2.3
267.15994	1.6
349.19788	3.7
403.60461	0.8
439.19449	0.9
447.16156	0.9
467.18774	5.6
469.20844	2.7
542.35315	0.9
567.28046	4.4
567.35663	0.8
641.31641	2.2
701.64563	0.8
775.38177	2.3
793.39752	100.0
794.39990	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	794.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.7
57.07080	7.1
58.77343	1.1
61.02930	2.7
63.58102	1.3
65.03927	4.1
67.05510	88.4
69.03426	2.9
69.06729	2.7
69.07074	33.6
71.04987	2.1
71.08631	2.0
71.28014	1.7
73.02905	1.6
79.05501	46.3
81.03403	1.5
81.07063	91.5
83.04975	3.7
83.08625	17.5
85.02882	4.0
85.06557	1.8
85.10169	1.7
91.03941	1.5
91.04969	2.0
91.05490	26.0
93.07055	49.6
95.04983	2.7
95.08614	73.5
97.02876	2.6
97.06510	4.9
97.10175	10.2
97.94817	1.1
99.08076	3.3
105.07037	22.1
105.11811	1.3
107.08599	26.1
108.50275	1.2
109.06532	2.3
109.10167	32.3
111.11705	2.4
113.09665	2.2
117.07045	5.9
119.08595	17.9
121.10151	28.2
123.11710	12.7
125.09661	1.6
127.11192	1.3
129.07030	2.1
131.08595	11.8
133.10141	17.4
135.11691	16.6
136.17899	1.3
137.09674	1.8
137.13242	4.8
138.78687	1.1
139.11194	1.6
143.08543	1.5
145.10168	10.0
147.11716	11.1
149.13275	13.6
151.14842	2.8
159.11696	6.6
161.13245	10.7
163.14862	8.0
165.16476	1.5
173.13260	6.6
175.14844	4.4
177.12820	1.7
177.16382	4.3
185.13326	1.5
187.14847	3.9
189.16380	2.2
199.14732	1.3
201.16460	1.7
202.04352	1.1
233.22659	2.0
241.19565	1.7
243.21172	9.6
245.19881	1.1
245.22617	5.0
259.20630	6.1
261.22147	24.4
262.22501	1.4
263.23782	4.0
282.35510	1.5
287.23792	1.5
303.67465	1.2
317.24789	4.4
333.24152	5.5
335.25833	99.5
336.26022	2.9
337.27383	100.0
338.27740	2.5
339.29034	7.2
447.41336	1.3
523.44867	2.6
541.45801	1.7
597.48816	34.0
598.48975	3.3
615.49915	22.2
616.49750	2.0
690.28479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
57.78209	0.4
61.02931	4.3
67.05512	4.2
69.03431	3.7
69.07055	1.9
71.05003	1.8
73.02920	3.9
79.05498	4.5
81.03424	4.7
81.07063	4.4
83.04997	1.5
83.08627	1.1
85.02909	6.7
91.03980	2.3
91.05486	5.7
93.07059	3.9
95.04977	2.4
95.08621	1.3
97.02909	5.2
97.06542	4.0
98.21552	0.5
99.04503	1.0
99.08091	0.5
101.02353	2.0
103.03964	0.5
105.07027	2.3
107.08591	1.9
109.02929	0.7
109.06559	0.8
109.10179	0.6
111.08152	0.5
117.07050	0.9
119.04950	0.9
119.08630	2.1
121.10155	1.3
123.08048	0.6
127.03963	1.5
129.07040	0.7
131.08586	1.3
133.10149	1.5
135.11684	0.5
137.05821	0.6
143.08572	0.5
145.04935	0.5
147.04431	1.8
147.11775	1.3
151.36856	0.4
155.40343	0.4
157.10143	0.7
175.11240	0.7
185.04343	0.6
193.12373	1.5
201.03645	0.4
229.06775	0.4
243.08493	2.6
251.12721	0.8
319.19174	0.5
327.24957	0.4
349.19879	6.3
405.22983	0.7
439.19461	2.0
453.21280	0.7
469.20520	6.8
469.26913	0.5
523.97192	0.4
549.27319	0.5
567.27789	5.2
635.84955	0.5
681.35138	0.5
791.96796	0.4
795.41382	100.0
796.41864	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	795.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
61.02929	1.2
67.05501	2.3
69.03470	1.1
73.02928	0.6
79.05517	0.9
81.07063	1.6
85.02905	0.9
87.04493	1.1
91.03986	0.6
91.05524	0.6
93.07041	1.3
95.08624	1.1
97.02906	0.9
98.21584	1.4
105.07087	0.5
105.62848	0.5
109.10217	0.9
121.10166	0.5
125.00111	0.5
132.10503	0.5
184.07388	1.4
229.35445	0.6
243.08568	0.6
267.09100	0.9
285.10190	0.9
310.10431	0.5
413.17917	0.9
519.29596	1.9
529.71448	0.6
535.26721	1.1
569.38361	1.7
691.40332	17.0
692.40991	1.4
795.42975	100.0
796.43207	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	795.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
61.02927	5.5
65.29441	0.7
67.05510	6.7
69.03429	4.2
69.07048	1.7
70.06604	7.4
71.01366	0.8
71.04995	2.3
72.24067	0.7
73.02918	4.1
79.05498	7.3
81.03429	5.2
81.07045	5.8
83.08613	1.4
85.02923	6.3
90.37840	0.7
91.03979	3.2
91.05484	5.5
93.07041	7.0
95.04974	2.0
95.08604	3.5
97.02898	6.9
97.06547	1.5
97.10237	0.9
98.97582	0.8
99.04469	1.6
101.02384	1.6
105.07059	3.7
107.08580	4.0
109.02930	1.1
109.10172	1.9
119.08604	3.5
121.10166	2.5
127.03934	1.0
127.99195	0.7
129.07056	1.6
131.08612	2.3
133.10179	2.4
135.11673	1.2
145.10159	1.3
147.11739	2.2
149.09598	1.8
157.10162	1.2
168.57306	0.7
185.04211	1.7
193.12350	1.7
218.00117	0.7
243.08443	3.9
254.17485	1.3
254.43764	0.8
283.15216	5.5
301.08902	1.4
333.17682	0.9
501.23138	11.3
535.28906	7.2
573.25037	1.3
589.42548	1.2
633.46075	2.1
705.38055	2.4
795.44910	100.0
796.45416	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	795.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.7
61.02922	5.7
67.05505	8.0
69.03427	3.6
69.28297	3.5
69.28720	3.3
73.02182	0.7
73.02923	3.9
76.95879	0.9
79.05489	3.1
81.03410	2.0
81.07057	4.8
85.02914	5.3
86.09698	1.3
87.04465	2.3
91.03954	3.3
91.05451	3.1
93.07036	3.3
95.08615	4.3
95.91637	0.9
96.39938	0.8
97.02911	6.7
98.70877	0.9
101.02373	1.9
107.08594	1.7
107.83811	0.9
109.10155	5.4
119.08576	1.6
121.10152	2.2
127.03906	1.6
131.08556	1.1
145.04976	1.4
162.30453	0.9
173.11783	1.5
184.07382	2.1
185.04253	1.0
195.09879	1.4
229.14313	1.4
241.66173	0.8
243.08479	1.8
243.45372	0.7
257.82211	0.8
413.17944	7.7
519.29462	8.4
626.51556	0.9
634.61865	0.9
691.40314	100.0
692.40820	7.2
749.44714	2.0
767.62537	0.9
795.44031	10.9
796.43414	1.0
815.14697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
61.02934	8.8
65.03957	0.5
67.05508	7.9
69.03436	4.7
69.07071	1.6
69.28080	3.8
71.01355	0.6
71.05007	1.2
73.02930	5.5
79.05506	5.6
81.03424	2.0
81.07059	5.9
83.08619	0.7
85.02913	8.4
87.04471	0.6
91.03973	4.8
91.05481	3.1
93.07050	6.1
95.05008	0.6
95.08621	6.1
97.02904	7.1
97.06554	0.8
97.10181	0.6
99.04485	1.4
101.02380	2.4
103.03964	0.5
105.07069	2.4
107.08611	2.3
109.02904	1.7
109.10183	2.1
112.80854	0.4
115.03965	0.6
117.07027	0.5
119.08620	1.4
121.10151	2.8
127.03948	2.2
131.08591	1.2
133.10170	0.7
135.11737	1.1
145.04955	0.5
145.10150	0.6
147.11690	0.6
149.13283	0.6
161.13383	0.6
185.04265	0.7
203.05376	1.1
243.08543	2.2
251.40285	0.5
257.10156	0.6
335.25851	1.1
352.88275	0.5
422.48740	0.5
519.29456	14.0
520.30188	0.9
797.51801	100.0
798.52148	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	799.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
57.07086	0.5
61.02934	6.5
62.64874	0.4
67.05507	6.8
67.55833	0.4
69.03443	3.9
69.07079	2.5
70.12840	1.3
71.01394	0.5
71.05004	0.7
73.02919	5.4
73.03299	0.5
79.05505	3.1
81.03421	1.8
81.07056	6.6
83.04999	0.6
83.08651	0.9
83.66829	0.5
85.02916	5.9
91.03961	4.1
91.05506	1.7
93.07053	4.4
95.05019	0.4
95.08611	5.3
95.13417	0.4
97.02905	6.6
98.20795	0.4
99.04482	1.2
101.02384	2.5
105.07046	1.8
107.08601	2.5
109.02912	0.9
109.10149	2.0
114.59528	0.4
115.03946	0.5
117.06979	0.5
119.08625	1.4
121.10162	1.6
123.11748	0.4
127.03960	1.6
133.10184	0.8
135.11729	0.9
144.02666	0.4
147.11771	0.7
149.13274	0.5
161.13258	0.6
203.05411	0.5
243.08482	1.9
265.09494	0.4
326.85806	0.4
334.47275	0.5
337.27316	0.4
519.29419	8.4
519.37109	0.5
520.29852	0.7
521.30981	5.9
621.27008	0.4
799.53339	100.0
800.53625	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	801.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	0.3
57.03432	0.4
60.08173	0.8
62.85317	0.3
67.05494	1.2
68.99809	0.4
69.03416	1.0
70.06593	0.6
71.04980	0.3
71.55384	0.6
79.05494	1.4
79.16384	0.5
81.03419	1.5
81.07056	1.2
84.08145	0.7
85.02914	1.6
86.09718	2.7
91.05486	1.3
93.07037	1.0
94.54196	0.3
95.04973	0.8
95.08611	0.6
97.02905	1.3
97.06544	0.9
98.97610	0.5
98.98479	0.4
99.04475	0.6
103.03950	0.8
103.05470	1.8
104.10766	4.7
105.07043	1.0
105.11095	0.5
107.04974	0.8
107.08599	0.6
109.02899	1.1
109.10146	0.6
115.05473	0.4
115.41351	0.3
117.03361	0.4
118.04171	1.0
119.04956	0.4
120.96947	0.4
121.06533	0.8
123.81409	0.3
125.00043	1.6
125.02401	0.4
127.03915	2.0
130.04115	0.6
131.04956	2.7
132.05748	1.4
133.02867	0.5
133.06505	0.4
133.10197	0.4
135.04446	1.0
140.04648	1.7
145.04973	0.6
146.03638	1.7
147.04449	1.5
148.05228	0.7
149.06044	0.9
153.01825	3.4
153.05424	0.4
155.07091	0.4
160.05191	0.6
161.02359	0.5
161.06004	1.2
162.03149	0.7
163.03905	2.4
165.05510	0.4
166.06331	0.6
167.07071	1.2
173.05914	0.5
176.04723	1.9
177.05499	2.7
178.06244	2.4
179.07053	0.4
184.07396	4.8
185.07669	0.7
191.07040	3.0
192.07838	1.4
203.03453	1.7
205.04750	0.4
206.63197	0.3
210.08875	0.5
210.98245	0.3
213.05475	0.4
215.07127	0.4
217.05052	0.4
229.04976	2.7
239.03438	0.7
241.05107	0.5
242.05779	6.3
253.05035	1.3
257.04480	41.5
258.05228	9.2
259.05844	0.5
259.09525	1.0
267.09109	0.4
269.04501	0.7
270.05322	1.3
271.06137	1.5
283.05881	0.4
285.03958	5.4
286.04745	22.1
287.05499	14.8
297.03964	3.4
299.05569	0.9
300.06311	1.2
301.07309	0.6
327.04987	2.3
327.32440	0.3
341.06656	2.8
387.08557	0.5
403.08633	0.4
416.08969	0.4
419.07529	0.5
430.07709	0.4
445.09390	1.0
447.07022	0.8
462.09598	1.6
465.11871	3.5
477.11856	17.8
478.12030	0.5
495.12924	100.0
496.13324	3.1
531.22327	0.3
552.32745	0.8
553.33447	0.6
601.69873	0.4
665.61047	0.4
739.22516	0.6
765.20490	0.4
783.20905	0.4
800.38202	0.4
801.22394	4.2
801.37061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.1
57.07073	2.2
57.42086	1.3
59.04980	1.5
59.98735	1.2
61.02930	3.9
61.27480	1.3
65.03953	2.4
67.05514	46.9
68.05033	1.4
69.03424	3.9
69.07076	12.2
70.06581	2.3
70.12251	1.3
71.05001	1.9
71.08617	2.0
71.55532	1.9
73.02915	1.6
77.03919	1.4
79.05056	2.6
79.05505	35.5
81.03428	62.3
81.07068	40.4
83.04980	5.2
83.08637	14.2
85.02914	2.0
85.06560	1.7
86.09698	1.8
89.69059	1.6
91.05496	26.9
93.07058	29.7
95.04982	21.2
95.08623	29.2
97.02895	3.9
97.06563	5.4
97.10185	5.9
105.07049	19.8
105.42401	1.3
107.04971	4.6
107.08614	19.3
109.06532	3.4
109.10188	14.3
111.08098	5.0
117.07054	3.1
119.08604	17.0
121.06542	3.6
121.10163	16.6
123.08003	2.6
123.11728	5.7
125.09645	3.3
129.07013	6.0
131.08571	12.6
133.06488	2.6
133.10165	13.6
135.07930	1.5
135.11711	9.2
137.09663	3.6
137.13263	2.1
145.10178	8.6
147.11671	9.2
148.60681	1.6
149.09644	2.7
149.13301	5.1
155.08615	1.4
157.10158	8.9
159.11710	6.6
161.13269	3.4
163.11238	3.0
163.14897	4.1
165.12775	2.1
167.45828	1.4
171.11650	2.3
173.13286	2.7
175.11232	5.6
175.14844	2.4
184.07314	2.0
185.13318	1.8
187.14868	2.2
189.11325	2.2
193.12263	16.8
208.17438	1.4
209.00862	1.6
211.13348	1.9
227.12823	3.8
230.77629	1.5
234.14969	2.3
243.21144	4.8
249.14847	2.2
254.17693	1.5
261.22147	24.9
267.15948	100.0
268.16293	2.0
301.25284	4.3
317.24792	3.8
333.24426	1.9
335.25827	90.1
336.26154	3.9
364.42715	1.7
385.02850	1.3
421.25845	2.2
435.32391	5.3
453.33698	9.5
471.34641	4.1
475.30377	1.7
509.36356	1.6
527.37384	62.0
528.37549	1.9
545.38440	42.7
546.38019	2.2
559.40228	1.8
564.42236	2.0
566.44098	2.2
590.43890	2.5
608.45679	1.7
770.50598	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	803.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
61.02921	1.1
62.73310	0.8
67.05491	2.7
69.03418	3.8
69.97067	1.6
69.97455	2.3
70.06566	0.8
73.02920	1.2
79.05503	1.8
81.03407	3.3
81.07033	1.5
82.87289	0.7
84.04512	1.3
85.02890	3.6
86.06057	0.9
89.90800	0.8
90.54594	0.7
91.05482	1.7
93.07064	4.5
94.06573	5.6
95.04974	1.1
95.07343	2.4
95.08594	0.9
95.40995	0.8
96.08138	5.5
97.02893	4.0
97.06535	2.6
99.00832	0.8
105.07017	1.7
105.45787	0.7
108.08131	6.6
109.02890	1.2
110.09676	8.0
116.10719	2.8
120.04450	0.9
120.08127	7.4
122.06036	9.3
124.07587	1.1
127.03871	1.1
129.06989	0.8
133.06480	0.8
134.06038	1.3
136.07590	8.3
138.09137	9.7
144.08109	0.8
145.02859	1.3
147.04417	2.0
148.07574	2.5
149.09650	0.9
150.09142	1.2
158.54836	1.0
163.03770	0.9
166.08662	13.5
177.05406	1.0
186.44531	0.8
211.08708	2.3
214.95845	0.8
221.10716	1.7
225.09981	1.0
235.08594	1.3
237.10295	1.8
245.53232	0.8
247.08777	2.7
249.10246	15.2
250.10944	1.9
251.11646	1.0
261.10431	1.7
263.11691	1.7
265.09778	1.1
275.08044	0.8
277.09772	9.8
285.10086	1.2
289.09634	1.0
291.11157	1.6
309.12375	6.5
310.13281	1.5
312.08228	0.9
312.11588	1.1
314.12976	1.0
321.08789	1.4
321.12579	1.0
322.13425	1.2
323.14349	1.4
325.12158	1.6
326.12897	3.0
327.13629	1.2
328.14514	1.9
337.15808	1.2
338.12848	1.5
338.16504	1.4
339.14215	1.9
340.10950	1.8
340.14603	3.0
341.11600	1.8
341.15302	2.0
342.12344	1.7
342.16040	1.1
343.12878	1.3
349.12213	0.9
350.12704	1.2
351.13702	1.5
352.11063	1.4
352.14847	1.2
353.11850	2.2
354.12283	8.5
354.16284	1.7
355.13092	4.3
356.13889	5.6
356.17596	1.3
357.14517	1.1
358.15100	0.9
364.14288	5.0
365.15189	1.1
366.12225	3.0
366.16086	3.4
367.13568	3.1
368.10138	1.5
368.14029	12.2
369.14746	6.9
370.11530	1.0
370.15475	3.3
380.13971	2.9
382.11389	4.6
382.16022	5.8
383.12045	1.1
383.16318	2.8
384.13342	0.8
384.17169	9.2
385.14337	2.1
386.14755	1.4
392.13962	3.2
394.15366	2.1
395.12631	2.3
396.13452	7.0
397.14081	2.5
398.14395	1.1
398.18732	11.5
399.18997	0.9
400.16656	1.7
401.17477	1.2
408.13364	1.8
410.15134	8.0
412.16730	9.3
413.13580	1.0
414.14264	2.7
415.15225	2.2
416.16055	1.2
420.13419	2.1
426.13824	4.2
428.16068	6.6
429.16824	1.1
438.14529	30.9
439.14490	1.5
442.17596	3.4
444.19839	8.6
452.15732	1.2
456.15591	42.6
457.15814	2.7
458.17261	7.5
470.17264	3.3
476.18210	38.6
476.23965	0.7
477.18237	1.1
488.18216	19.1
563.22516	2.1
591.22626	6.4
595.24951	3.3
609.23474	23.9
610.23621	1.4
613.25946	1.1
623.24988	25.5
624.25433	1.4
641.26086	100.0
642.26520	6.5
803.30853	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	804.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03226	1.5
57.03441	14.2
59.04989	4.6
61.02914	6.1
62.03319	1.3
65.03934	1.7
67.05512	61.9
69.03419	3.5
69.07075	10.2
71.01349	1.6
71.04987	6.5
73.02906	4.9
79.05064	2.3
79.05497	30.5
81.03425	17.0
81.07058	30.6
82.07362	1.6
83.01359	10.9
83.04993	14.9
83.08621	17.7
85.02920	15.5
87.04449	5.5
91.05489	21.0
92.22643	1.6
93.07051	27.6
95.04988	9.7
95.08611	14.8
97.02884	7.1
97.06524	5.1
97.10191	13.0
99.04463	3.5
105.07033	15.5
107.04952	9.8
107.08596	17.4
109.06520	7.3
109.09473	2.5
109.10166	41.4
111.04465	2.7
111.08073	4.5
117.07040	9.7
119.08597	15.9
121.06503	3.2
121.10154	9.9
123.08046	7.8
125.05980	2.5
125.09636	13.0
127.03981	1.6
129.05417	2.8
129.07025	2.5
130.07784	2.2
131.08594	3.7
135.11684	11.3
137.09654	3.1
143.10667	2.3
145.10138	19.3
147.08020	3.4
153.12752	5.2
155.10574	2.7
159.82249	1.6
159.83586	1.5
163.11185	30.4
173.09608	5.9
173.11752	11.5
173.69249	1.7
181.12212	6.6
189.11285	1.7
191.10658	7.1
193.12151	2.2
196.39786	1.7
199.13239	6.3
209.11720	15.0
227.12775	13.6
229.14372	43.4
267.15878	4.8
283.15414	100.0
284.15799	2.5
296.87253	1.6
301.16599	12.8
399.23804	10.5
405.09302	1.6
412.80994	1.7
425.25235	6.4
437.25412	35.2
475.26498	2.1
509.27914	7.9
518.42065	1.9
527.28790	2.1
607.34790	27.5
642.44373	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	804.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.0
61.02905	1.0
64.87945	1.2
65.03961	1.8
67.05172	2.2
67.05511	30.9
69.03441	9.0
69.07076	21.8
70.21164	3.6
71.04982	3.9
73.02930	1.3
79.05059	1.9
79.05499	30.3
81.03423	68.8
81.07065	24.1
83.04981	8.0
83.08631	17.7
85.02895	1.8
91.05485	25.1
93.07051	22.6
95.04971	20.5
95.08617	15.3
97.02897	10.1
97.06531	3.3
97.10175	13.2
98.21410	1.2
98.97614	1.7
99.04471	1.1
103.05489	2.0
105.04514	1.3
105.07040	19.9
107.04959	12.3
107.08608	15.7
109.06532	6.7
109.10172	11.1
111.04435	2.2
111.08079	6.3
115.05449	2.0
117.07043	8.1
119.04955	2.2
119.08601	16.8
121.06528	5.9
121.10152	9.0
123.08089	4.3
123.11731	1.9
125.09655	8.3
128.06247	1.6
129.07011	8.4
131.08591	13.3
133.06479	5.5
133.10144	10.0
135.08061	5.1
135.11690	4.8
137.09608	2.7
141.06989	1.4
142.07791	2.6
143.08594	4.3
145.10144	6.0
147.08076	7.5
147.11693	6.7
149.09642	5.7
149.13281	1.9
151.11166	1.6
155.08530	1.5
157.10127	9.7
159.08083	1.2
159.11713	3.2
161.09666	3.5
163.11156	5.8
170.99615	1.2
171.11697	2.5
173.09650	1.5
173.11819	1.9
175.11214	8.1
181.12321	1.2
189.11206	3.8
193.12265	14.1
205.12239	3.1
211.13242	2.2
211.23740	1.2
219.13754	4.4
223.13322	15.5
227.12738	9.0
229.14299	2.1
249.14876	4.6
253.14294	4.2
267.15930	78.4
273.18530	10.5
283.15408	3.4
291.19559	76.0
292.19809	1.5
303.87189	1.1
313.21628	2.0
321.04742	1.3
347.22202	2.8
365.23270	44.1
385.23822	1.6
437.25397	1.8
445.25815	5.3
459.27612	6.0
463.27072	3.4
465.30280	2.1
477.28412	3.4
483.31021	2.2
529.35156	1.6
539.33905	7.9
557.34778	100.0
558.35040	4.7
575.35468	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
61.02923	0.8
65.03944	5.6
67.05506	1.8
69.03431	4.7
70.06596	1.3
71.54848	0.8
73.02911	1.1
78.04702	4.5
79.05505	3.7
81.03403	3.0
82.04192	1.6
83.05018	0.6
84.04475	0.8
85.02910	8.3
86.09727	0.8
89.03947	0.9
90.61318	0.6
91.05482	4.7
93.03404	1.8
93.07049	1.4
94.04166	0.8
95.04967	2.9
97.02908	2.9
97.06533	2.1
98.97604	0.6
99.04418	1.0
101.02391	0.8
103.05479	5.2
105.03379	1.0
105.04494	1.3
105.07021	1.3
106.04173	1.9
107.04958	5.1
108.02117	0.6
109.02898	1.3
110.03684	2.6
110.09659	0.6
111.04429	1.6
115.05452	8.3
116.07044	0.6
117.07024	11.5
119.04919	1.1
119.08567	0.7
121.02901	0.9
121.06506	3.0
122.03656	0.9
123.04430	9.8
124.05218	2.6
125.05969	2.3
127.03924	1.3
127.05445	2.0
128.06235	0.6
131.04936	3.2
132.05565	0.6
133.02879	0.7
133.06503	1.6
135.04398	2.0
137.05986	3.8
138.03148	1.3
139.03899	0.8
142.02612	2.0
143.04941	1.6
144.05734	1.2
145.02843	1.4
145.06485	13.8
147.04391	1.5
147.07965	1.1
148.05251	0.7
149.06004	4.1
151.03944	2.8
151.07556	1.1
152.04651	2.7
153.05464	2.0
155.04866	0.9
155.06003	5.9
155.06987	0.8
157.06477	0.8
158.07022	0.5
159.04410	1.8
160.05159	1.0
161.05980	2.2
163.03925	6.6
163.07486	1.0
165.05498	2.0
166.06169	0.6
167.07050	100.0
168.07378	1.7
171.06563	3.4
173.05994	21.5
174.06583	0.9
175.07494	3.9
177.05464	5.0
179.07027	1.1
181.04965	78.8
182.05341	1.5
187.03963	0.7
188.04651	1.3
189.05428	0.8
191.07039	4.0
191.08485	0.8
193.08611	1.1
195.06526	1.8
201.05516	3.4
203.07008	5.3
204.06328	0.6
205.06743	1.2
205.08604	7.6
207.06421	0.6
209.08054	5.4
209.09749	0.9
213.05508	1.1
215.06927	1.1
217.08528	1.2
219.06430	2.8
219.08362	0.7
221.06032	0.7
221.08002	1.5
222.06804	0.8
222.52637	0.6
231.06497	1.6
233.05856	0.8
233.08090	9.5
234.06802	0.9
234.08807	4.0
235.07587	0.9
235.09639	6.6
237.09047	1.1
239.07126	1.0
247.07436	0.6
249.05444	0.8
249.07686	0.8
250.06332	1.4
254.09280	1.0
259.07095	0.8
261.07678	0.7
262.06067	0.6
263.06918	0.7
264.07819	0.7
265.08502	2.2
280.07434	0.7
282.08719	1.1
283.09766	0.9
292.07260	0.7
293.08081	2.2
294.08957	1.1
295.06042	0.7
296.10504	0.8
297.11206	2.2
299.09250	0.7
301.06674	0.9
305.53275	0.7
309.07416	0.9
310.08337	2.1
311.09189	0.7
325.10809	2.6
326.11484	1.3
327.08478	0.9
329.13873	0.8
337.10571	1.1
342.10889	1.1
353.09949	1.4
355.11679	1.1
357.09427	0.9
357.13370	10.1
365.10175	1.2
367.11804	1.1
369.13437	1.1
370.10284	0.7
383.10703	0.6
385.12848	39.7
386.13498	2.2
387.14392	4.2
397.12808	5.3
398.14160	0.6
399.14294	0.8
399.41367	0.7
403.14023	4.1
415.13873	7.7
416.14719	4.6
417.15411	11.1
577.19189	2.4
595.21252	1.4
611.24402	0.8
643.23907	49.3
644.23792	2.8
645.75494	0.6
675.76825	0.6
805.29193	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	805.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
61.02936	1.1
65.03944	1.5
67.05500	1.3
69.03438	2.5
69.68818	3.4
71.92914	0.7
79.05503	1.2
81.03436	1.5
82.06584	1.2
82.29902	0.8
85.02919	4.2
91.05512	1.3
92.05037	0.7
93.07066	2.3
94.06575	4.7
95.07369	1.7
96.08142	4.6
97.02912	1.4
98.20887	1.1
106.06573	1.0
107.07343	1.0
108.04442	1.7
108.08136	7.3
110.09688	8.2
116.04984	2.1
118.06554	1.2
120.04467	3.5
120.08115	6.0
122.06048	5.8
122.09707	1.4
124.07587	5.3
127.03883	1.0
130.94946	0.8
133.76038	0.8
134.06029	2.7
136.07588	9.8
138.05519	1.1
138.09146	8.6
144.04439	5.4
146.06003	6.9
148.07626	4.4
150.09200	2.0
152.07108	1.8
160.04015	3.1
162.05495	4.1
163.03946	1.4
164.07103	2.0
166.08661	16.8
172.03947	22.9
172.07536	1.2
174.05539	2.4
176.07144	2.7
185.10696	0.9
187.08690	0.9
190.05002	17.9
197.10736	2.3
199.12427	2.1
204.06577	43.6
209.10812	2.1
209.30344	0.8
210.09329	1.6
211.08772	2.7
212.09450	1.8
223.08665	1.2
223.12386	1.1
224.09514	2.4
225.10255	8.7
226.10986	1.4
227.11804	13.8
236.09511	2.5
237.10318	3.0
238.11066	1.6
239.11754	4.1
241.09819	1.4
241.13469	1.4
243.11292	1.1
249.10287	1.9
250.11057	1.1
251.11885	3.1
253.09772	5.0
253.13574	0.9
255.11397	2.0
263.08240	1.6
263.11771	0.8
264.09000	2.8
265.09726	2.3
266.10818	1.1
267.11374	2.7
269.09790	1.3
269.12863	16.2
271.10779	9.8
273.12421	3.7
277.09787	2.7
278.10516	0.9
279.11270	5.1
280.11917	1.1
281.13013	1.7
283.10764	6.0
284.11673	3.9
285.12402	5.8
286.13223	1.4
287.13904	13.4
295.10788	1.3
297.12329	9.6
299.14127	4.5
300.15009	0.9
301.12793	1.2
307.10953	2.2
309.12338	1.1
311.10645	0.8
312.15070	1.3
313.12238	1.0
314.12921	2.5
315.13760	2.1
316.14386	1.9
321.12286	1.1
323.10220	5.9
323.92538	0.8
325.11838	20.9
326.12720	1.0
327.13620	3.6
327.17419	2.4
328.10757	2.9
328.14600	2.4
329.15283	1.3
330.16138	1.6
331.16931	1.3
334.09177	0.9
337.12213	0.9
339.14160	1.2
340.14847	1.1
341.11700	1.7
341.15567	1.0
342.12524	6.9
342.16092	1.8
343.13065	5.3
344.13953	1.3
345.14914	0.8
352.14752	1.1
354.12338	1.1
355.13873	2.4
356.13922	6.4
357.14511	20.3
357.18805	1.5
358.15363	5.2
366.11856	0.9
366.15936	1.0
370.11633	1.4
370.15689	5.2
371.16296	1.0
378.18161	2.1
380.13760	1.4
382.11615	3.8
383.12717	3.2
384.13303	4.9
384.17606	0.9
385.14404	2.7
386.14886	2.6
386.18887	3.4
388.16919	1.1
390.18225	4.7
394.15393	0.9
398.15027	18.6
399.15820	29.4
400.16406	3.8
402.18298	1.3
404.16116	6.2
404.38953	0.8
412.16452	1.9
414.18518	4.0
416.16003	18.8
417.16592	1.4
422.16989	1.8
428.16248	4.3
430.17838	4.8
440.16016	6.7
446.17157	9.8
458.17123	28.0
459.17484	1.4
478.19644	2.1
487.17209	9.6
490.19775	12.3
551.22791	1.0
565.24573	1.0
567.26508	0.9
569.24078	4.0
575.22601	1.1
583.25134	1.5
593.23975	6.3
611.25049	100.0
612.25177	6.2
643.27686	14.6
644.27924	1.1
729.31165	1.0
745.29199	0.9
755.28851	1.1
773.30225	25.3
774.30188	2.5
805.32928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	25.9
57.07076	5.4
65.03938	8.5
67.05510	96.0
69.07072	18.3
70.12569	6.6
70.12961	9.3
71.04996	5.3
79.05511	52.9
81.03413	8.3
81.07068	74.6
83.04982	6.3
83.08617	11.4
85.02898	4.5
85.06541	7.8
86.09716	16.5
89.06008	6.5
90.16520	4.5
91.05489	43.4
93.06483	3.9
93.07047	56.2
93.97940	3.4
95.04976	64.1
95.08614	44.8
97.06541	7.7
97.10181	3.8
105.07040	27.9
107.04985	14.0
107.08636	26.1
109.06528	68.4
109.10197	17.2
111.08097	4.9
113.06023	27.3
114.22633	3.6
117.07020	19.2
119.08611	23.1
121.06475	9.9
121.10141	20.8
124.99988	6.6
129.07043	12.3
131.08531	22.2
133.08589	8.1
133.10135	11.2
135.08051	37.8
135.11659	13.6
143.08574	12.0
145.06502	3.7
145.10159	15.1
147.08037	7.8
147.11751	5.5
149.09604	5.2
157.10162	6.7
159.11710	10.2
161.09659	4.3
163.11218	6.9
184.07307	43.5
185.07661	5.6
185.13289	5.5
217.15819	11.8
263.78549	3.8
273.18546	41.7
291.19598	100.0
292.19998	4.4
335.25836	87.6
347.22238	10.4
365.23245	17.5
525.38434	4.1
561.37732	6.0
567.39496	4.1
579.38385	16.5
603.65277	3.9
607.43390	20.5
625.44562	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	26.0
57.07064	4.6
59.04993	3.0
61.02921	5.2
65.03931	4.5
66.43449	2.8
67.05509	100.0
69.03407	10.3
69.07061	18.0
71.04988	8.5
71.54645	3.5
73.02936	3.3
79.05076	2.9
79.05502	46.6
81.02995	5.4
81.03426	69.1
81.07059	58.6
83.04991	24.2
83.08627	40.2
85.02904	30.9
86.30389	2.5
87.04458	5.7
91.03938	3.0
91.04965	4.2
91.05487	53.1
93.07050	32.7
95.04974	34.2
95.08598	22.9
97.02859	10.9
97.06509	7.3
97.10160	15.9
101.93613	2.6
105.07036	33.3
107.04969	14.2
107.08607	25.8
109.06531	7.5
109.09482	3.7
109.10167	59.7
111.04447	7.7
111.08091	13.1
112.81992	2.6
113.05978	3.3
117.07016	5.4
119.08592	28.0
121.06474	4.7
121.10138	11.1
123.04470	2.7
123.11698	2.6
125.09652	15.4
128.90044	2.5
129.05470	5.0
129.07005	15.9
131.08588	16.2
133.06454	3.3
133.10132	19.6
135.11685	3.7
137.09612	3.9
142.07780	3.3
145.10120	7.5
147.07996	5.8
147.11639	14.7
149.09589	6.6
153.12762	3.0
155.10617	3.4
157.08820	2.9
157.10126	16.0
161.09543	3.1
163.11172	10.6
173.09616	4.1
173.11777	15.3
175.11234	15.4
181.12199	3.8
184.07338	3.2
191.10612	5.1
193.12265	58.7
199.13242	5.2
209.11705	6.4
211.13297	64.8
227.12776	6.1
229.14409	43.9
267.15955	27.7
283.15558	7.1
285.16998	40.8
293.21063	4.1
294.55368	2.8
301.16452	10.0
330.75293	2.6
399.23792	17.9
399.28030	3.0
411.99237	2.8
421.25845	10.5
439.26865	29.7
465.16254	2.9
511.28708	9.2
557.98987	3.1
559.35828	6.2
609.36346	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	21.3
57.07074	3.1
59.05006	3.4
61.02940	3.1
65.03943	7.6
66.20486	1.8
67.05511	84.9
67.05874	4.2
67.12127	1.7
69.03439	10.7
69.07077	36.2
69.81690	10.2
71.05004	9.1
75.36816	1.8
79.05504	76.3
81.03426	100.0
81.07062	69.7
83.04987	14.2
83.08627	31.4
85.02910	7.4
85.06557	5.7
87.04503	2.2
91.05489	73.2
93.07052	62.1
95.04400	1.4
95.04970	38.3
95.08057	2.7
95.08617	33.9
97.02894	7.7
97.06553	16.5
97.10172	25.4
99.08150	4.5
103.05444	1.9
105.03423	1.8
105.07040	54.9
107.04971	19.7
107.08609	43.7
107.09296	3.6
109.02879	2.1
109.06493	12.2
109.10174	28.4
111.04465	3.2
111.08076	11.1
113.06035	2.1
114.77438	1.8
115.05499	3.3
117.07010	19.6
119.04951	3.4
119.08595	35.3
121.06513	11.9
121.10148	21.3
123.04429	2.6
123.08073	6.2
123.11718	4.2
125.09637	20.4
127.03921	2.9
128.06206	3.8
129.07013	20.8
130.40916	1.9
131.08578	31.1
133.06502	5.0
133.10144	30.3
135.08057	7.3
135.11737	16.6
137.09631	5.4
141.07025	5.0
142.07767	3.8
143.08559	8.9
145.06473	6.0
145.10124	20.1
147.08067	7.6
147.11714	19.9
149.09624	19.6
149.13316	5.1
151.11234	5.0
153.09146	2.7
153.12668	2.4
155.08569	3.7
157.10162	17.8
159.08084	2.6
159.11665	13.3
161.09621	5.1
161.13199	2.5
163.11209	11.4
165.12816	2.3
169.10152	5.3
171.08046	2.3
171.10313	3.6
171.11736	5.5
173.09631	4.9
173.11795	2.4
173.13255	5.6
175.11215	9.7
177.12801	4.0
179.08568	1.8
181.12338	2.6
183.11725	3.1
185.13290	3.1
187.11234	3.0
189.11263	9.6
189.12766	2.6
193.12253	28.4
193.78508	1.9
195.11824	3.3
195.13831	3.8
197.13338	2.4
205.12350	3.2
209.11746	2.5
211.11406	2.6
211.13368	6.7
218.72318	1.8
223.13245	3.1
225.14969	1.8
227.12727	16.2
229.14262	9.7
231.13840	2.3
239.14020	2.3
239.18018	2.7
241.14371	2.1
245.13882	2.5
249.14867	3.8
253.14404	3.4
255.15933	7.7
257.18936	3.0
267.15952	77.3
269.17480	15.8
273.18512	5.1
275.20010	23.5
291.19568	17.5
293.21182	3.4
299.20349	2.6
301.16647	4.3
347.17929	1.9
347.22290	2.0
349.23770	21.8
365.23306	5.6
367.24948	2.7
369.24231	3.9
373.23996	2.6
389.18582	1.9
421.26059	5.1
435.27499	2.8
443.27884	6.0
447.27502	20.5
449.30725	5.0
459.27301	1.9
461.29047	58.4
467.31461	3.8
493.31403	6.5
501.31973	5.7
511.29092	3.5
519.33179	4.2
523.34833	2.6
541.35339	56.0
542.35718	2.1
559.36182	18.2
591.36145	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	806.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85445	1.9
57.03432	5.3
58.06589	2.2
59.97627	2.0
61.02925	3.5
67.05510	32.7
68.32758	2.4
69.07066	8.3
71.47077	3.6
79.05504	19.5
81.07062	36.2
83.08620	6.6
85.02907	3.6
91.05478	10.8
93.07046	24.4
95.08616	26.4
97.02897	2.5
97.10194	2.8
105.07031	9.7
107.08601	14.7
109.10180	14.9
117.07038	4.6
119.08598	8.3
121.10145	10.1
123.11707	5.6
131.08595	5.9
133.10126	5.7
135.11685	8.3
137.09683	2.3
145.10120	5.4
147.11707	5.2
149.13245	5.9
157.34703	2.0
159.11710	5.0
163.14836	3.7
173.13208	3.5
187.14792	3.7
203.04279	2.5
261.22086	14.3
265.81619	2.3
304.26355	10.1
333.24298	3.7
335.25827	100.0
336.26215	5.2
337.27362	4.2
396.55695	2.2
595.47400	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.2
57.03443	4.3
59.05010	1.9
61.02930	6.5
63.77672	1.0
63.78686	1.0
65.03942	1.6
67.05515	15.1
68.05040	2.4
69.03432	12.8
69.07089	5.4
70.06594	19.9
71.04999	100.0
71.55501	1.3
72.23595	1.0
73.02915	4.0
79.05505	17.9
80.05013	1.1
81.03423	26.4
81.07069	11.7
82.06602	1.3
83.04996	3.2
83.08617	9.3
84.04526	1.0
84.08149	4.2
85.02912	8.5
85.06586	1.6
86.06071	11.1
87.04487	2.7
88.04002	3.3
89.03884	1.1
91.03963	2.6
91.05495	14.2
93.07037	8.4
95.04984	8.8
95.08612	4.5
96.08144	15.0
97.02898	5.3
97.06550	7.6
97.07113	1.2
97.10175	11.5
98.06053	6.2
101.02424	1.1
105.07040	7.9
106.06564	3.6
107.04996	2.3
107.08594	9.4
108.08152	1.0
109.02902	2.4
109.06551	1.7
109.10183	4.3
111.04489	1.3
111.08117	3.8
112.07620	6.2
114.09218	1.2
116.07098	1.4
117.07023	2.5
119.04996	1.1
119.08598	6.7
121.02823	1.0
121.10161	4.3
123.08130	1.4
124.07599	26.1
124.08478	1.7
125.09639	9.4
127.03954	2.3
129.07039	3.9
131.08582	5.3
133.06537	1.5
133.10173	3.8
135.04463	1.3
135.08099	2.8
135.52385	1.2
142.08653	21.4
145.10158	1.6
147.04375	1.8
147.08115	2.1
147.11736	2.7
149.09612	4.6
153.09099	1.3
157.10164	2.6
158.08127	8.4
159.04413	1.1
163.03900	6.1
163.11127	1.7
170.08170	4.4
175.07709	1.0
175.11229	3.1
189.11230	5.3
193.12233	6.4
197.15436	1.4
202.23448	0.9
215.07042	1.5
227.12784	14.3
245.13928	3.0
247.79004	0.9
258.14993	1.5
259.09641	5.6
260.10120	1.2
267.15903	9.9
273.14966	1.1
285.10196	2.0
293.24274	1.0
323.09256	1.8
389.18286	1.9
399.55347	1.2
419.24753	1.7
428.85056	1.0
437.25427	4.2
578.33484	3.9
596.34424	4.1
710.86346	1.3
742.21613	1.2
758.39691	8.4
790.42041	8.5
808.43298	81.5
809.43915	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	808.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	24.6
57.07078	8.1
65.03938	7.3
66.88184	5.9
67.05170	8.2
67.05510	91.8
69.07068	35.7
69.23876	29.5
69.24305	26.7
79.05077	7.2
79.05505	95.4
81.07066	94.3
83.08625	7.7
91.05492	82.9
93.07056	100.0
95.04943	9.6
95.08611	69.4
97.06499	6.2
97.10175	11.5
105.04530	7.7
105.06392	6.7
105.07046	77.6
107.08617	54.7
109.10166	35.3
117.07025	31.5
119.08596	68.7
121.10156	43.5
122.36253	5.6
129.07011	12.2
131.08575	41.5
133.10136	50.8
135.11687	24.1
143.08574	18.1
145.10097	32.3
147.11694	43.2
149.09616	6.8
149.13264	24.2
157.10179	16.5
159.11699	26.1
161.13332	34.3
163.14833	8.9
171.11705	12.9
173.13290	22.8
175.14816	7.9
184.07281	7.2
185.13261	12.5
187.14857	13.9
213.16322	7.0
215.17906	6.0
237.94386	5.5
241.19533	23.3
257.19101	11.4
259.20657	67.6
261.22061	14.5
333.24228	56.3
335.25812	85.4
355.88004	8.6
357.33200	7.1
424.73642	6.3
480.51962	6.0
519.42194	7.5
565.04608	6.4
596.66541	6.3
611.46606	39.9
616.98804	8.0
717.54553	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	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	14.1
57.07063	4.4
57.71276	2.3
61.02926	3.1
65.03932	3.7
67.05505	68.5
69.03426	4.7
69.07072	19.0
70.74479	4.9
71.04995	2.4
71.08622	2.0
79.05492	50.8
81.07062	60.5
83.04972	2.9
83.08620	10.2
84.53036	1.8
84.89294	1.7
85.02918	3.0
85.06551	3.3
91.05482	38.8
93.07048	56.0
95.04968	5.1
95.08611	52.5
97.02908	3.4
97.06525	2.8
97.10181	4.7
99.08087	3.1
105.07030	30.9
107.08604	33.8
109.06544	3.7
109.10160	15.6
111.08076	3.8
117.07021	8.5
119.08585	27.2
121.02070	2.0
121.10147	23.2
123.08080	4.0
123.11708	5.9
125.09635	2.2
129.06984	3.5
131.08589	19.5
132.89276	2.3
133.10132	22.2
135.08076	2.5
135.11725	19.7
137.13246	2.6
143.08612	3.6
145.10130	17.7
147.11697	15.9
149.13272	9.2
157.10156	4.0
159.11774	12.8
161.13261	12.7
163.14861	2.7
171.11682	4.0
173.13287	10.2
175.14754	4.2
179.14333	3.9
185.13260	4.5
187.14781	8.6
199.14775	3.4
201.16316	3.1
219.17487	2.1
231.21191	2.6
241.19542	7.2
243.21027	2.8
259.20572	19.6
261.22147	8.2
277.21561	18.8
293.20883	2.4
305.98865	2.0
306.27640	2.1
317.24750	2.6
333.24173	16.2
335.25806	100.0
336.26184	3.1
337.27335	2.9
351.25305	34.9
375.79880	2.0
471.46017	2.1
529.38635	3.4
593.45197	2.8
611.46680	39.9
612.46246	3.0
808.51617	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	809.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
61.02934	4.7
67.05517	5.6
69.03436	3.2
69.07076	3.1
69.50806	2.4
69.51219	1.5
70.06639	0.7
71.01352	0.8
71.05010	1.6
73.02928	3.3
78.30848	0.5
79.05506	4.9
81.03429	5.1
81.07066	4.5
83.04993	1.2
83.08638	1.9
85.02916	5.7
85.06538	0.7
87.04466	0.6
91.03972	2.6
91.05499	4.3
93.07056	4.4
95.04988	2.1
95.08624	2.6
96.08134	3.2
97.02897	4.6
97.06540	1.6
97.10184	1.5
98.20747	1.0
101.02405	1.5
104.53141	0.5
105.07033	3.4
107.04961	0.7
107.08614	2.4
108.83100	0.5
109.02859	0.6
109.06519	0.5
109.10172	1.8
111.04497	1.2
111.08096	1.5
119.08607	2.9
119.48011	0.5
120.73713	0.6
121.06478	0.6
121.10165	1.9
125.09695	1.2
127.03936	2.0
129.07025	1.4
131.08624	1.8
133.10210	1.7
135.11729	0.7
145.04961	0.9
145.10204	0.9
147.11737	1.4
149.09669	2.0
157.10159	0.9
159.11807	0.6
163.11148	0.6
171.12048	0.5
173.09679	0.6
175.11218	0.6
185.04231	0.9
193.12335	1.7
219.08963	0.6
223.13335	1.5
225.14908	0.8
243.08453	5.2
267.16031	1.0
268.16211	0.7
283.15195	2.8
283.18097	0.6
291.19785	1.6
312.25241	0.6
331.18912	1.2
339.17615	0.9
387.21521	0.9
462.29242	1.1
469.20486	0.7
501.23096	10.7
549.26697	6.9
639.30042	3.3
777.40533	0.7
809.42938	100.0
810.43292	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	809.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37122	1.3
57.03437	4.0
59.69989	1.1
61.02937	6.9
65.98415	1.1
67.05500	9.0
69.03438	5.1
69.07074	2.5
69.97974	3.0
69.98391	2.6
71.04994	2.9
73.02909	5.8
76.83242	1.4
79.05502	8.0
81.03419	9.0
81.07065	8.8
83.05001	2.2
83.08630	3.3
85.02913	8.2
91.03989	3.5
91.05480	6.8
93.06532	1.2
93.07053	7.2
95.04961	3.0
95.08622	3.9
96.08176	2.2
97.02901	6.4
97.06516	1.8
98.21407	2.1
101.02406	1.9
105.07054	3.6
107.04979	1.6
107.08619	3.7
109.02872	1.8
109.10194	3.3
112.47323	1.1
119.08604	2.6
121.10176	2.0
127.03938	1.8
129.07100	1.6
131.08583	2.6
133.06516	1.7
133.10179	4.0
135.11729	1.4
145.10170	2.0
147.11705	2.7
149.09659	2.1
151.11275	1.4
153.61369	1.4
157.10150	1.5
161.09593	1.1
163.11217	1.7
173.11795	1.5
175.11217	2.4
193.12250	2.7
203.72406	1.2
211.13480	1.9
219.01912	1.1
229.14513	2.0
243.08543	3.3
249.11179	1.6
283.15268	4.0
301.09250	1.5
331.19101	1.9
413.17957	3.0
451.19785	1.9
467.19104	2.6
501.23062	13.2
526.36548	1.4
531.25696	2.5
549.26904	4.4
573.25720	1.5
598.41174	1.6
639.29865	22.2
640.30463	1.8
711.35895	2.3
777.49481	1.6
791.41534	9.4
809.42865	100.0
810.42682	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	811.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.8
61.02932	0.2
63.02372	0.7
65.03939	2.5
67.05497	0.8
67.32121	0.2
69.03413	0.2
69.07056	0.2
70.06609	0.3
71.01359	0.2
78.04698	0.2
79.05476	0.4
81.03413	0.6
81.07042	0.7
85.02891	0.3
89.03406	0.4
89.03922	6.0
91.05485	18.0
92.05816	0.2
93.07020	0.4
95.04964	0.3
95.08575	0.2
97.02918	0.4
97.06534	0.3
99.00835	1.1
101.02367	0.3
103.05444	0.5
105.07018	0.4
106.04189	0.2
107.04947	0.4
107.08571	0.3
109.10197	0.2
117.03387	14.8
119.04949	36.9
120.05267	0.6
121.10220	0.2
134.03647	0.9
135.04416	0.8
144.36574	0.2
145.02853	31.4
146.03284	0.3
147.04416	100.0
148.04756	1.5
149.05986	4.7
158.06084	0.3
163.03911	0.8
170.93759	0.2
177.05475	33.9
178.05878	0.5
186.05545	1.1
199.03897	0.2
221.08095	7.0
238.06378	0.3
251.09132	4.2
276.07877	0.2
281.08066	0.3
319.08289	1.2
349.09308	0.6
355.15460	0.6
367.11548	0.2
393.11829	1.1
397.12778	2.1
423.13092	0.2
539.15515	19.4
540.15717	1.0
569.16559	43.9
570.17078	2.0
811.40607	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	811.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.6
59.05000	0.8
61.02934	4.8
67.05511	6.3
69.03432	3.7
69.07072	2.9
69.61084	0.5
69.92057	2.8
71.01357	0.6
71.04995	2.2
73.02927	5.2
79.05505	5.1
81.03433	4.6
81.07076	6.4
83.04993	1.0
83.08622	1.2
85.02916	4.9
91.03967	3.2
91.05495	5.8
93.07050	4.0
95.04996	2.0
95.08616	2.8
97.02908	5.0
97.06546	1.2
97.10149	0.8
99.04456	0.7
101.02406	1.5
103.03934	0.6
105.07054	4.3
107.08619	2.7
109.02905	0.8
109.06543	0.7
109.10166	1.5
117.07053	0.9
119.08613	1.6
121.10160	2.5
124.66927	0.5
127.03963	1.8
129.07050	1.0
131.08612	2.2
133.10147	1.8
135.11700	0.8
137.26457	0.5
142.07774	0.6
147.11726	2.0
149.09692	1.9
151.11177	0.6
157.10191	1.1
175.11197	0.8
185.04262	0.7
193.12337	1.7
203.05315	1.2
225.14995	0.7
243.08414	3.6
259.08136	0.5
267.16098	0.7
283.15231	3.3
313.09283	0.8
333.20370	2.3
339.18073	1.1
389.22562	0.6
413.17828	1.1
439.19702	1.1
441.21146	0.9
453.21136	1.2
469.20609	0.7
501.23102	13.6
551.28369	8.0
573.25525	0.6
641.31805	1.0
721.37488	3.6
731.13116	0.5
793.41211	0.6
811.44531	100.0
812.44537	7.6
814.80078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02479	3.0
58.39653	2.8
71.15114	3.4
71.15437	4.3
104.43919	2.6
134.34885	2.6
217.77682	2.7
245.52458	2.7
259.90118	2.7
729.27759	2.8
810.52637	3.2
813.49323	100.0
814.49573	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	813.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.1
61.02935	6.1
67.05510	6.1
69.03426	3.9
69.07082	1.9
70.55473	0.6
71.01344	0.7
71.55923	0.9
73.02916	6.4
75.95660	0.6
76.03260	0.6
79.05504	6.3
81.03408	1.8
81.05354	0.7
81.07064	6.6
82.91125	0.6
83.04986	0.8
83.08615	0.6
85.02929	5.5
86.09701	1.4
91.03973	4.5
91.05497	3.9
93.07054	5.4
95.08630	5.3
97.02903	6.1
99.04497	1.2
101.02398	3.0
105.07045	2.6
107.08615	3.9
109.02888	1.6
109.10179	1.3
117.07068	1.1
119.08595	1.6
121.10197	1.9
124.99994	1.1
127.03933	1.1
131.08589	1.3
133.10176	1.7
135.11740	1.3
145.10165	0.7
146.53912	0.7
152.80281	0.7
159.11690	1.0
164.88206	0.7
184.07332	4.6
185.07918	0.7
193.71799	0.6
201.16336	0.8
243.08517	2.4
410.69382	0.7
448.29364	0.8
519.29309	9.6
535.28760	4.5
591.31451	0.9
813.51306	100.0
814.52179	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	818.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.6
58.12767	2.8
65.03939	3.0
67.05508	55.1
69.07087	14.3
75.21924	3.0
79.05502	27.6
81.07066	52.9
83.08608	8.7
91.05479	21.2
93.07047	46.5
95.08611	41.3
97.44566	3.9
105.07024	14.7
107.08619	21.1
109.10153	15.5
119.08615	13.2
121.10166	22.1
123.08118	3.0
123.11747	6.8
131.08577	10.9
133.10098	15.2
135.11708	12.7
135.24911	3.4
145.10152	8.8
147.11678	10.3
149.13274	9.4
159.11708	6.4
161.13271	9.0
163.11070	3.7
163.14877	4.3
173.13217	4.9
175.14928	3.2
184.07430	7.7
241.19490	3.9
243.21234	4.2
257.21924	2.9
259.20526	6.9
261.22241	16.0
266.21277	2.8
317.24878	3.9
333.24426	4.3
335.25812	100.0
337.27328	7.9
444.43375	3.2
595.47351	16.0
613.48328	8.6
696.58197	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	819.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.7
61.02912	0.7
69.03439	3.4
70.03751	0.5
70.04153	0.5
70.06574	0.8
70.33573	0.2
71.01337	0.2
71.04979	0.2
81.03433	1.2
83.04971	0.2
84.08131	0.3
85.02432	0.3
85.02914	5.2
87.04435	0.5
89.03930	0.2
89.25090	0.2
91.03962	0.2
91.05470	0.8
93.07035	0.3
94.98889	0.2
95.04970	0.5
97.02905	1.8
97.06496	0.4
99.04438	0.5
103.05480	1.2
105.07006	0.8
107.04942	0.5
107.08581	0.2
115.05437	0.3
117.03355	0.2
118.04146	0.7
119.04962	0.4
121.02828	0.3
121.06506	0.8
123.04397	0.3
125.02328	0.3
127.03938	1.0
130.04166	0.4
131.04924	2.5
131.66850	0.2
132.05725	1.1
133.02838	0.3
133.06453	0.4
135.04376	0.3
135.08034	0.3
138.69394	0.2
140.04712	1.5
145.04916	0.4
146.03636	1.4
147.04388	0.5
148.05135	0.4
149.06033	1.0
151.03908	0.3
153.01852	2.4
153.05455	0.6
154.06215	0.3
155.07007	0.8
159.04411	0.4
160.05220	0.6
160.39670	0.2
161.06024	1.1
161.19368	0.2
162.03149	0.4
163.03906	1.1
163.07523	0.3
166.06229	0.4
167.07069	2.5
173.05954	0.4
176.04735	1.1
177.05486	1.5
178.06293	2.0
179.07019	0.5
181.08612	0.5
182.09386	0.5
191.07060	2.8
192.07829	1.3
193.08536	0.5
203.03391	1.7
209.08116	0.7
210.08853	1.4
229.04985	2.3
241.04938	0.4
242.05766	4.0
247.11163	0.3
253.05064	1.0
255.06517	0.3
257.04480	35.8
258.05234	6.6
265.12180	0.3
269.04291	0.6
270.05350	1.3
271.06003	0.9
283.05991	0.4
285.03986	4.4
286.04752	16.7
287.05518	11.8
288.05951	0.3
295.05759	0.3
297.03925	2.7
299.05533	1.1
300.06137	1.2
301.07123	0.5
311.05600	1.3
313.07156	0.3
323.05511	0.5
327.05048	2.0
329.06598	0.3
341.06525	2.0
351.74249	0.3
359.23251	1.5
359.73380	0.3
387.08932	0.3
416.08575	0.3
419.07538	0.6
444.08386	0.3
445.09180	0.8
447.07251	0.7
461.08545	0.3
462.09558	0.9
463.77930	0.2
465.11938	2.8
477.11877	14.8
478.12311	0.6
495.12921	100.0
496.13312	4.2
542.32050	0.3
657.18329	6.6
658.18323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94059	14.8
63.70641	13.8
64.23415	15.5
67.05495	62.5
69.07089	14.9
72.70925	15.3
76.01698	15.4
79.05517	22.4
80.64671	16.4
81.07048	52.1
93.07027	40.3
94.66142	14.4
95.08606	56.0
95.90690	19.1
98.02298	16.4
102.81711	16.7
107.08643	17.5
118.50668	16.3
119.08562	19.0
121.10118	28.4
131.08533	19.1
188.05211	18.6
243.20932	17.0
261.22043	18.2
262.22562	16.0
269.06369	16.6
279.49878	16.4
335.25845	100.0
336.26288	37.8
337.26627	27.0
366.71631	16.6
449.38071	17.8
525.69373	14.9
574.99182	20.1
820.86993	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	821.325
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	0.6
67.05505	1.4
69.03418	1.2
70.06586	0.7
70.50976	0.5
70.94526	0.7
70.94851	0.9
71.14996	0.5
79.05473	1.4
80.05015	0.6
81.03427	2.3
81.07071	1.0
82.06568	1.0
83.04951	0.5
84.04506	0.7
85.02890	1.5
87.45266	0.5
89.03937	1.2
91.05473	2.0
93.07040	2.2
94.06573	2.9
95.04941	1.2
95.07375	0.8
95.08616	0.7
96.08138	2.7
97.06516	2.0
103.05490	0.5
105.07001	0.8
106.06610	0.7
108.04462	0.9
108.08124	3.2
109.02873	0.7
110.06110	0.7
110.09701	5.1
111.04422	0.6
116.05000	2.2
120.04451	1.2
120.08115	4.5
121.02887	0.6
121.06521	0.5
121.10198	0.7
122.06036	5.5
123.59970	0.5
124.07569	3.8
129.07019	0.7
134.06021	1.3
135.04420	0.8
136.07593	6.7
137.08376	0.6
138.09135	6.9
144.04449	5.0
146.06071	2.3
147.04404	0.7
148.07578	2.0
150.05490	1.5
150.09088	0.6
152.07048	1.1
155.07405	0.6
155.08627	0.5
156.08063	0.5
160.03925	2.1
160.07547	0.6
161.07097	0.6
162.05516	4.0
163.03935	4.2
166.08667	11.8
170.09709	3.1
172.03955	34.9
172.07552	1.1
172.09883	1.2
172.11266	0.8
173.04539	0.7
174.05502	0.9
174.09215	0.6
175.08678	1.2
183.06773	1.0
187.12321	5.1
188.10822	0.6
189.10359	0.6
190.05014	7.5
193.12129	0.6
197.10915	0.6
198.07333	1.1
198.09154	21.9
200.09111	2.2
200.10794	1.6
202.08516	0.5
204.06580	49.0
205.06834	0.7
210.09244	0.8
212.10764	4.6
213.10211	0.7
215.11821	18.5
215.13901	0.9
225.10214	1.7
226.08670	6.4
227.08250	0.7
227.11819	2.2
229.09753	0.6
229.13258	1.1
231.11368	0.8
236.09589	0.6
239.11809	1.2
240.10191	2.0
241.09726	1.8
241.13324	1.0
242.10434	1.3
243.11314	95.9
244.11653	2.2
251.11752	1.4
253.09680	0.6
255.11374	7.9
256.11993	1.2
257.12881	5.2
259.09634	0.9
265.09808	1.0
267.11255	0.8
267.15887	0.9
269.09210	1.5
269.12747	0.4
277.09702	0.6
279.11362	1.4
283.10809	1.1
284.11429	0.7
285.12363	82.8
286.12781	2.5
297.12360	1.5
301.06973	0.8
301.11893	8.3
302.12314	0.7
303.13416	100.0
304.10748	0.5
304.13766	2.6
307.10733	1.2
309.12350	0.7
315.09360	0.7
325.11859	7.1
326.12418	0.6
343.12939	0.9
351.09744	0.9
357.14487	9.6
358.15356	1.6
359.16028	1.7
383.12338	0.5
385.15582	0.6
391.11963	1.0
400.16879	0.6
416.15521	0.5
418.17645	1.6
428.15985	0.6
430.17496	1.0
462.16769	2.8
470.17126	1.9
474.16571	3.3
476.18497	3.1
477.28531	0.6
487.17154	1.3
488.17630	0.9
494.19232	2.2
519.19501	0.6
536.20380	2.7
583.25482	4.4
599.24591	2.1
609.23132	1.1
623.24371	0.6
627.24585	11.5
628.24622	1.3
641.26001	9.2
642.25757	0.8
659.27307	0.8
803.30432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	30.2
57.07069	2.7
61.02921	3.7
63.31842	2.4
65.03942	6.0
67.05508	91.2
69.03438	18.1
69.07072	43.1
69.20806	13.6
69.21228	10.7
71.04996	22.3
73.02911	8.3
79.05498	77.3
81.03423	100.0
81.07064	86.3
83.04987	19.2
83.08622	30.4
85.00694	2.7
85.02915	14.4
85.06551	5.9
91.03945	4.2
91.05487	73.4
93.07049	64.9
95.04976	48.7
95.08615	34.9
97.02920	12.8
97.06538	72.7
97.10160	27.7
99.04445	3.3
99.08092	6.6
103.05481	3.1
105.07033	51.4
107.04967	25.0
107.08594	40.0
109.02907	3.9
109.06538	25.9
109.10156	24.2
111.04447	10.4
111.08082	19.5
113.05991	3.5
115.05476	6.1
115.07585	22.1
117.07012	31.0
119.04940	5.6
119.08592	46.2
121.06532	19.5
121.10156	25.3
123.08074	15.5
123.11715	5.4
125.09634	17.2
127.03897	3.7
128.06235	4.6
129.07027	24.7
131.08571	32.4
133.06493	11.2
133.10152	26.3
135.08092	22.3
135.11714	11.1
137.09650	8.0
141.06946	4.3
142.07773	4.5
143.08577	12.7
145.06488	7.4
145.10136	19.1
147.04417	4.7
147.08104	12.5
147.11678	12.2
149.09636	16.0
149.13353	6.6
150.63501	2.7
151.11203	7.3
153.09142	6.1
155.08577	6.9
157.10136	21.2
159.08060	8.0
159.11681	14.2
161.09631	10.3
161.13266	3.0
163.11189	12.7
165.12776	2.7
167.08525	4.6
169.10107	6.0
171.11678	8.1
173.04524	4.4
173.09613	8.2
173.11792	3.1
173.13196	4.4
175.11243	16.2
175.14732	3.1
177.12785	4.5
181.10298	2.4
181.12196	3.2
183.11697	3.2
185.09691	5.5
185.13126	3.4
187.11165	3.4
189.11220	10.8
193.12236	29.3
195.11691	3.3
195.13835	3.0
197.13463	2.9
199.11235	3.0
199.14899	3.7
201.12770	3.2
205.12296	3.7
211.11343	2.8
211.13312	6.3
213.12785	2.9
217.15900	9.2
219.13803	3.8
221.15305	2.8
223.13316	5.7
225.78058	2.8
227.12810	13.1
229.14328	4.2
233.15320	2.9
245.19011	4.3
253.14420	5.4
263.19897	3.8
267.15927	78.3
269.17465	10.2
271.17090	4.3
273.18542	29.3
275.20053	4.5
289.17975	5.7
291.19583	26.4
297.16684	3.4
300.19342	2.8
313.21597	4.4
329.20850	3.3
347.22192	10.7
365.23193	15.7
369.23920	4.6
383.24210	8.1
403.24704	4.1
403.98071	3.4
429.27618	3.9
435.27496	4.2
443.27762	7.4
447.28131	9.3
458.83731	2.8
461.29129	27.8
465.29779	7.3
475.26871	3.6
477.28226	3.2
483.30875	8.4
487.30542	4.2
489.28543	3.0
493.31729	6.1
499.30209	3.8
539.33887	22.9
557.34833	62.4
575.35907	34.7
589.36908	5.0
600.35303	3.4
607.34711	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.4
62.08148	2.6
65.03915	8.2
67.05509	100.0
69.03427	4.3
69.07075	23.9
70.58658	4.7
71.04998	4.8
79.05071	4.6
79.05500	71.5
81.03417	5.7
81.07061	94.4
83.04991	40.5
83.08611	12.0
85.02918	4.4
85.06527	7.1
91.05488	67.8
93.06483	4.1
93.07050	76.1
95.04951	16.2
95.08611	55.2
97.06528	6.5
97.10176	4.6
98.97832	2.6
99.04440	3.2
99.08077	4.7
101.92899	2.5
105.06385	4.6
105.07040	62.0
107.04969	9.0
107.08601	56.2
109.06528	14.0
109.10171	65.9
111.08049	3.5
113.89709	2.7
115.05495	3.4
117.06995	13.4
119.08599	24.5
121.06490	7.3
121.10139	29.6
123.08051	6.1
123.11700	13.9
125.09595	4.0
126.38397	2.7
127.07533	4.0
129.06979	4.5
131.08553	23.3
133.06526	4.6
133.10136	70.6
135.08067	8.1
135.11702	16.0
143.08543	6.2
145.10124	12.3
147.08061	2.8
147.11671	8.8
149.09595	6.9
149.13269	6.9
151.11188	25.1
157.10112	4.5
159.11659	8.0
161.09665	5.4
161.13219	6.1
163.11194	2.8
169.12260	6.8
171.11697	5.4
171.82172	2.7
173.13232	5.0
175.11201	4.8
177.12764	3.6
179.14284	2.7
184.07397	3.6
185.13397	3.0
187.14877	3.4
215.12793	2.8
243.21164	3.9
245.18961	7.0
253.14375	87.6
259.20651	5.6
261.22147	11.5
265.41464	3.2
273.18481	20.9
291.19595	23.7
313.22366	2.7
333.24106	5.2
335.25797	88.0
347.22073	8.0
359.47922	3.2
365.23251	45.1
409.81763	3.2
418.49127	3.0
513.35272	4.6
531.36743	36.4
543.40643	4.1
607.43103	6.8
625.44659	64.4
822.50232	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.6
65.03943	8.1
67.05510	94.0
67.55509	2.4
68.26528	1.7
69.03423	6.1
69.07070	33.4
69.78724	9.1
70.77879	1.9
71.04985	4.1
73.02958	1.9
79.05499	81.3
79.05960	4.8
81.03407	7.4
81.07062	100.0
83.04983	8.7
83.08620	16.0
85.02904	7.6
85.06541	5.0
91.05489	62.6
92.14014	1.8
93.07051	72.2
95.04972	10.0
95.08610	66.2
97.02891	4.7
97.06534	10.9
97.10191	13.5
98.21539	2.3
99.08078	3.7
105.07038	49.7
107.04956	6.4
107.08606	46.7
109.02872	2.2
109.06532	6.0
109.10159	33.4
111.08097	4.4
117.07032	20.6
119.08592	33.1
121.06509	4.4
121.10149	29.2
123.08099	4.5
123.11725	7.9
125.09664	12.0
127.03895	4.6
129.07007	5.3
131.08568	28.5
133.10135	28.9
135.08075	6.5
135.11678	15.5
137.13246	3.2
143.08537	10.0
145.10124	20.6
147.08049	2.7
147.11707	21.1
149.09650	9.7
149.13280	10.1
152.24460	1.9
155.08604	2.7
157.10158	7.6
159.11679	17.2
161.09642	2.9
161.13312	6.6
163.11234	6.1
163.14841	5.1
165.12791	3.7
169.10167	4.3
171.11740	5.8
173.13255	7.8
175.11125	2.5
177.12807	3.1
181.10066	1.9
183.11662	4.1
185.13321	6.3
189.11256	8.0
195.11771	2.6
197.13300	2.3
203.74364	2.1
213.16501	2.5
215.18112	2.1
219.17485	6.3
227.12794	13.8
229.14304	5.2
229.19604	2.0
239.18036	3.6
243.21153	3.3
247.20712	2.5
257.18970	10.6
259.20499	5.0
261.22070	10.3
267.16068	6.3
269.17444	3.1
275.20090	50.0
286.70352	2.1
293.20975	3.3
331.22781	3.7
333.24246	3.0
335.25830	99.7
335.70432	2.1
349.23737	42.1
411.24826	2.0
489.35690	10.5
505.35248	2.6
515.37372	3.6
529.38617	7.0
569.41986	7.6
609.36163	3.3
609.45184	51.1
627.45795	7.7
825.49316	3.5
849.13477	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99375	1.5
61.02921	2.0
65.03942	5.4
67.05508	92.7
68.05810	1.9
69.03427	6.7
69.07072	30.8
69.18712	15.8
71.04993	4.8
73.02905	1.4
73.52459	1.4
79.05497	72.8
81.03420	5.7
81.07060	87.2
83.04985	6.7
83.08620	16.7
85.02889	5.2
85.06554	3.3
91.05485	55.2
93.07049	68.6
95.04958	10.1
95.08611	53.4
95.09229	1.5
97.02904	3.1
97.06531	8.2
97.10172	12.8
99.08096	3.2
103.05473	2.1
105.04473	1.7
105.07034	48.2
106.40258	1.7
107.04977	5.9
107.08602	46.9
109.02860	2.0
109.06533	7.8
109.10155	33.0
111.08097	5.6
115.05433	2.0
117.07025	16.9
119.08587	32.8
119.09853	1.7
121.06541	2.8
121.10147	31.8
123.08060	3.7
123.11715	8.8
125.09642	12.4
127.03956	1.9
128.06219	2.4
129.07030	6.1
131.08571	25.9
133.06468	1.7
133.10141	27.0
135.08087	5.4
135.11725	15.6
137.09642	2.9
139.11215	2.3
143.08595	7.7
145.10124	22.5
147.11688	21.2
149.09630	6.9
149.13274	6.8
151.11087	2.1
155.08549	3.2
157.10152	6.8
159.11696	15.1
161.09631	2.6
161.13293	8.2
163.11223	4.3
163.14874	3.4
165.12749	2.8
169.10088	2.1
171.10255	1.8
171.11702	4.7
173.09773	1.4
173.11757	4.4
173.13272	8.0
175.11194	2.3
175.14772	3.6
177.12689	2.7
179.14360	2.6
183.11784	2.4
184.07417	2.4
185.13281	5.9
187.14891	4.3
189.11246	6.2
197.13220	3.7
199.14783	1.5
201.16386	2.8
203.14479	1.7
215.17825	1.6
219.17455	5.8
227.12794	16.8
229.14297	10.7
229.19420	2.2
239.17946	4.6
243.21072	4.3
247.20746	2.1
257.19000	10.7
259.20694	3.5
261.22214	10.5
267.16013	3.5
269.17551	4.2
275.20074	50.4
293.21109	4.6
313.21878	1.6
317.24844	2.1
320.62189	1.9
329.24826	1.5
331.22678	1.8
335.25812	100.0
336.26080	2.1
349.23712	40.3
356.25058	1.5
367.25000	2.4
451.67670	1.7
489.35883	15.7
505.35007	4.7
513.39142	2.5
529.38916	7.9
543.40021	1.7
545.38293	2.2
569.41876	2.6
590.35571	1.8
609.45282	54.3
610.45355	3.7
627.46002	5.7
825.47522	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02947	2.3
65.03936	5.5
67.05508	73.5
69.03440	7.0
69.07077	20.3
71.01043	2.0
71.01372	1.9
71.04990	4.1
71.27133	1.3
72.22891	1.2
79.05498	58.9
81.03416	7.8
81.07060	74.6
83.04993	7.7
83.08622	13.0
85.02908	3.0
85.06564	2.5
91.05484	51.9
93.07051	68.9
95.04981	7.2
95.08614	50.4
95.09234	2.2
96.08936	1.4
97.02900	3.7
97.06536	9.0
97.10184	4.4
99.08105	2.8
105.04510	2.1
105.07035	35.9
107.02935	1.2
107.04955	4.2
107.08601	34.5
109.06505	5.6
109.10155	21.1
111.08088	3.8
115.05457	1.8
117.07018	17.3
119.08588	29.6
121.06480	2.9
121.10152	22.0
123.08072	4.3
123.11729	3.8
125.09650	2.8
127.03888	2.5
128.06178	2.4
129.05513	1.9
129.07014	5.9
130.07782	1.6
131.08582	26.6
133.10144	20.7
133.11104	2.2
135.08020	4.0
135.11697	15.0
137.09618	3.6
139.11179	1.5
141.07024	1.7
143.08582	5.8
145.10150	15.2
147.11671	10.5
149.03517	1.2
149.09641	5.3
149.13248	8.9
155.08586	2.8
155.10692	1.5
157.10146	5.5
159.11694	11.3
161.09608	2.5
161.13269	6.3
163.11145	1.9
163.14839	2.7
165.12752	1.5
169.10103	4.3
171.11736	3.2
173.04451	1.9
173.11842	2.5
173.13214	9.0
175.11333	1.8
175.14861	4.0
177.12730	2.1
183.11696	2.9
184.07262	2.8
185.13278	3.5
187.11168	1.6
187.14835	3.2
189.16408	1.5
195.13826	3.7
197.13310	2.4
199.14806	3.3
203.14252	1.7
217.15858	2.3
219.17438	2.9
227.12758	1.8
229.14287	4.8
229.19633	1.8
235.16940	2.0
239.17995	2.2
241.19543	1.4
243.21062	2.5
247.20712	1.8
255.15834	3.4
257.19131	6.2
259.20636	3.2
261.22107	10.4
269.17490	13.4
275.20087	19.9
277.21649	1.5
283.19202	1.9
293.21078	2.3
309.20508	8.6
317.24612	2.1
331.22726	2.0
333.24255	1.6
335.25812	100.0
336.26144	4.3
343.26566	1.2
349.23767	18.3
367.25095	2.8
383.19171	1.3
489.35757	3.9
515.37329	5.7
529.38959	34.5
529.46899	2.1
530.38904	1.6
543.40161	3.0
569.41962	21.3
570.41925	1.4
609.45093	20.3
627.46130	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	825.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86540	0.7
61.02931	5.8
62.82590	0.7
67.05514	12.7
68.05859	0.8
69.03440	4.5
69.07094	3.2
73.02919	3.8
79.05496	8.9
79.50975	0.7
81.03458	1.6
81.07072	11.6
83.04984	0.9
83.08643	1.8
85.02901	5.9
91.03962	2.5
91.05490	7.9
92.05832	1.5
93.07063	8.5
95.04993	1.7
95.08620	8.0
96.08949	0.8
97.02889	4.7
97.06557	1.3
97.10189	2.2
99.04470	1.0
101.02403	1.7
105.07044	5.4
106.07396	0.8
107.04975	1.1
107.08597	5.8
109.02911	1.0
109.10181	3.3
117.07045	2.5
119.08607	4.9
121.10151	4.5
125.09689	1.8
127.03946	1.2
129.07002	0.8
131.08621	2.1
133.10176	2.8
135.11745	1.7
145.10135	2.3
147.11765	1.9
149.09665	0.9
159.11758	1.1
173.13356	0.9
184.07445	1.9
185.13280	0.8
189.11238	0.7
227.12840	1.2
243.08528	2.1
257.19186	1.0
261.22385	1.1
275.20224	3.0
276.20483	2.8
329.17258	13.5
335.25858	7.5
336.26227	6.4
346.28986	0.7
349.23926	3.0
350.24139	2.6
415.00763	0.8
519.29675	3.8
547.25549	2.4
609.45062	1.2
610.45422	8.1
628.46906	1.0
698.72925	0.8
754.69196	0.8
825.47626	100.0
826.48206	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	826.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.2
61.50692	0.6
65.03942	1.2
67.05514	19.5
68.05020	1.5
69.03438	37.9
69.07073	8.1
70.02959	2.0
70.06596	3.1
71.05009	1.4
72.04520	2.1
73.02930	0.7
79.05502	8.6
80.05017	1.0
81.03426	2.0
81.07066	11.7
82.06581	4.2
83.08634	1.7
84.04534	3.7
84.08153	18.1
85.02895	1.7
86.06082	4.0
86.09718	2.2
87.04478	14.0
87.04878	0.4
88.04018	3.1
91.05494	6.7
93.07058	9.3
94.06583	3.8
95.04986	1.4
95.08627	7.9
96.04501	0.7
96.08139	1.2
97.02886	1.1
97.06506	1.2
97.10133	0.6
98.06075	3.4
102.05565	7.5
105.07044	4.7
107.04981	1.0
107.08604	3.5
108.08128	0.8
109.06571	0.7
109.10178	7.0
110.06038	0.9
111.50088	0.5
112.07617	92.5
113.07929	0.5
115.05495	0.6
117.07021	1.3
119.08607	3.2
120.06560	1.0
120.08122	0.8
121.10165	2.4
122.06042	0.8
123.08091	0.7
124.07613	1.2
125.00032	1.2
128.07007	0.5
129.07004	0.8
131.08578	1.7
133.10150	1.7
135.11674	1.3
136.07574	0.6
137.09616	0.8
138.09143	0.7
140.07079	100.0
141.07413	1.2
145.10123	1.9
147.11694	0.9
149.09627	2.3
157.10156	0.8
158.08145	14.8
162.12816	0.8
163.11203	2.1
164.07063	1.1
173.11864	1.1
173.13187	0.5
174.07635	1.4
175.11182	1.2
180.13869	1.6
184.07376	7.5
190.12299	1.3
208.13336	1.7
229.14369	4.6
267.15909	2.6
268.15305	0.8
276.16119	1.3
284.18570	0.8
294.16922	2.0
301.28134	0.5
302.12268	2.0
312.18094	2.5
313.27371	0.8
335.25772	7.2
348.06857	0.6
368.20490	1.7
386.21609	2.3
404.22742	0.9
489.35440	2.8
526.93073	0.6
527.36951	0.8
602.40161	0.7
620.41278	1.1
628.41711	2.7
646.43250	18.4
647.43073	1.0
664.44287	29.1
665.44183	2.2
723.42065	0.8
808.48059	0.9
826.50360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	1.3
65.03947	0.8
67.05512	17.0
68.05035	1.6
69.03436	39.0
69.07080	8.0
70.02963	2.8
70.06606	3.3
71.04991	1.7
71.08619	0.5
72.04517	2.0
76.74605	0.4
79.05499	9.5
79.36137	0.4
80.05020	1.5
81.03415	2.2
81.07063	10.4
82.06594	4.1
83.04981	0.9
83.08632	1.7
84.04518	3.6
84.08150	18.6
85.02922	2.0
85.06599	0.7
86.06081	3.3
86.09719	1.4
87.04476	14.0
88.03990	2.8
91.03973	0.5
91.05491	6.8
92.05037	0.5
93.07056	8.7
94.06592	4.2
95.04965	2.4
95.08624	7.9
96.04552	0.6
96.08124	0.7
97.02909	1.7
97.06551	1.0
97.10186	1.0
98.06075	3.1
98.21500	1.5
102.05547	6.2
105.07057	3.8
106.06580	0.5
107.04974	0.6
107.08625	4.5
108.08158	0.7
109.06528	0.5
109.10171	7.0
110.06060	1.5
110.09727	0.8
111.08028	0.7
112.07616	91.3
113.07983	0.8
114.05517	0.5
117.07034	1.3
119.08594	3.3
120.06600	0.6
121.10155	4.1
122.06036	1.0
123.04450	0.7
123.08050	0.5
124.07609	1.4
125.00036	1.0
129.07043	0.6
130.04985	0.5
131.08578	2.2
133.10121	1.4
135.11719	1.9
138.09111	1.0
140.07079	100.0
141.07458	0.9
145.10130	1.7
147.08061	0.8
147.11722	1.4
149.09618	2.4
149.13275	0.8
155.10745	0.8
157.10158	1.0
158.08160	13.6
159.11713	0.6
162.12813	0.7
163.11188	2.7
164.07045	0.7
173.11737	1.1
173.13126	0.7
174.07661	1.6
180.13857	1.3
184.07362	4.5
190.12320	1.4
191.10735	0.7
193.12257	0.7
208.13336	1.4
210.14775	0.7
229.14499	3.6
232.13371	0.6
248.16527	0.6
252.15941	0.6
261.22061	1.1
266.17535	0.6
267.15900	1.4
268.15372	0.6
276.16049	1.0
282.17026	0.7
284.18579	0.6
294.16977	1.7
302.12305	2.1
312.17938	1.3
313.27448	0.7
335.25818	6.2
368.20609	1.4
386.21631	2.1
489.35757	3.2
527.36597	1.0
545.37720	0.7
620.42065	0.6
628.42346	2.2
646.43170	16.6
647.43091	0.8
664.44269	25.4
665.43640	1.9
808.47797	1.1
826.49152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.5
65.03950	1.4
67.05180	1.1
67.05511	19.3
68.05027	1.8
69.03435	48.1
69.07072	9.7
70.02972	1.4
70.06602	2.2
70.94025	1.6
71.04996	3.2
71.47096	0.9
72.04523	1.1
79.05493	10.5
80.05020	1.6
81.03423	4.3
81.07061	13.3
82.06582	6.7
83.04974	1.0
83.08606	2.9
84.04498	5.3
84.08151	21.7
85.02906	3.2
86.06078	5.7
86.09702	3.2
86.65147	1.0
87.04478	9.7
88.04001	1.5
91.03906	1.0
91.05489	7.9
93.07050	11.3
94.06544	5.1
95.04964	2.2
95.08613	8.8
96.04523	1.2
96.08136	1.1
97.02888	2.3
98.06048	2.8
102.05549	4.4
105.07075	4.6
107.08612	4.8
109.10163	7.3
110.06079	1.3
111.08108	1.2
112.07615	100.0
119.08590	4.0
119.68897	0.8
121.10200	4.3
121.98362	0.8
122.06090	1.8
123.11704	1.6
124.07579	2.7
124.99999	1.9
129.06981	1.0
131.08597	1.5
133.10114	1.5
135.11678	2.8
137.09648	1.7
140.07074	90.0
141.07425	1.2
145.10155	2.8
147.11716	1.3
148.07578	1.6
149.09619	2.2
151.73888	0.8
152.07095	1.2
158.08150	9.9
163.11172	3.3
163.14973	1.0
164.07094	1.6
165.03030	1.0
166.08632	1.5
173.11761	1.1
174.09175	1.0
179.72150	0.8
180.13863	3.3
182.11749	1.0
184.07355	12.0
186.16222	0.9
190.12280	1.3
191.10733	1.4
200.09106	1.0
208.13403	1.6
229.14388	3.9
234.14746	1.6
236.16585	1.6
236.77919	1.0
257.50311	1.0
267.15900	4.1
276.15982	3.7
284.11380	1.2
294.17038	2.1
302.12402	5.8
312.18222	1.2
335.25803	9.3
368.20663	2.2
386.21692	2.6
457.67276	1.0
489.35864	3.7
527.37018	1.4
558.90918	1.0
628.41681	3.9
646.43225	41.7
647.43109	1.8
664.44299	12.8
790.47443	1.1
794.50690	8.2
808.48120	3.0
826.48846	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	826.4956
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02933	5.0
65.03933	0.5
67.05165	1.1
67.05512	14.6
68.05043	0.6
69.03439	7.7
69.07089	3.3
70.02966	0.8
70.06601	7.6
70.58125	0.5
70.58481	1.7
71.01375	0.7
71.05002	100.0
73.02934	4.6
75.98038	0.5
79.05502	15.4
80.05005	0.6
81.03423	4.0
81.07067	9.6
82.06588	0.9
83.04993	1.4
83.08628	3.5
84.08162	4.6
85.02909	6.1
85.06539	0.8
86.06084	6.5
87.04452	0.6
88.04003	4.4
91.03974	2.0
91.05495	7.0
91.89722	0.5
93.07054	10.4
94.06592	1.2
95.04987	2.0
95.08626	6.9
96.08138	10.4
97.02901	5.5
97.06557	0.7
97.10186	4.5
98.06057	4.4
99.04442	0.6
100.07643	0.6
101.02421	0.9
105.07034	2.9
106.06579	1.8
107.04979	0.7
107.08598	7.9
109.02869	0.6
109.10172	3.6
111.08107	1.8
112.07610	6.8
114.05546	1.0
114.09186	0.8
117.07026	1.5
119.08595	2.6
120.08086	0.5
121.06523	0.6
121.10175	2.8
123.11689	0.6
124.07606	6.3
125.09637	4.9
127.03954	1.1
131.08624	1.6
133.10225	1.3
135.08090	2.8
135.11732	2.0
137.09705	0.5
140.07104	1.6
141.07948	0.6
142.08646	7.2
145.10205	1.4
147.11757	1.0
153.09171	1.8
158.08139	11.0
161.13339	0.5
163.11273	1.0
170.08128	3.5
189.11288	1.8
202.10851	0.8
227.12901	3.2
248.16507	0.9
261.22125	0.7
323.51123	0.6
335.25812	7.4
335.29395	0.9
434.74078	0.6
505.35034	0.9
646.43549	1.5
652.05713	0.6
656.30670	0.6
657.30219	0.8
664.44659	2.5
722.38336	0.9
826.49628	81.1
827.49951	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	826.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	6.0
63.22273	0.4
65.03941	1.2
65.54618	0.4
67.05514	14.8
68.05032	1.0
69.03440	8.5
69.07085	3.6
69.96196	1.0
69.96587	0.8
70.02964	0.4
70.06253	0.6
70.06606	8.5
70.06994	0.5
71.01366	0.5
71.05002	100.0
72.04526	0.9
72.05363	0.7
73.02928	4.3
79.05503	14.6
80.05033	0.5
81.03429	3.7
81.07070	10.6
82.06600	0.8
83.05025	0.6
83.08626	3.9
84.04517	0.8
84.08148	4.0
85.02913	5.1
86.06078	6.3
87.04468	0.7
88.04001	4.5
91.03977	2.9
91.05486	6.8
93.07059	10.0
93.07629	0.6
94.06593	1.1
95.04989	1.6
95.08621	7.0
96.04510	0.5
96.08141	11.9
97.02908	5.7
97.06551	0.9
97.10187	4.6
98.06075	4.1
98.09727	0.4
99.04448	1.0
101.02399	1.3
102.05589	0.5
104.07119	0.6
105.04506	0.4
105.07041	2.8
106.06569	2.0
107.04962	1.0
107.08600	7.0
109.02904	0.6
109.06577	0.7
109.10162	3.1
110.06110	0.5
111.08105	1.5
112.07623	6.7
114.05560	0.9
114.09219	0.7
115.05415	0.7
116.02665	0.4
116.07110	0.5
117.07041	2.2
119.08598	2.4
120.08010	0.4
121.10149	2.3
123.08072	0.8
124.07614	5.1
125.09638	3.8
127.03985	1.2
131.08636	1.7
133.10179	1.2
135.08078	1.9
135.11726	1.1
140.07129	0.9
141.07880	1.5
141.64400	0.4
142.08662	9.0
145.10147	0.9
145.75877	0.4
147.11737	0.6
148.07687	0.4
149.13315	0.5
153.09081	2.0
158.08151	10.7
159.11726	0.6
163.11285	0.5
170.08148	4.4
171.10252	0.4
173.13319	0.6
183.06664	0.4
188.09233	0.5
189.11258	2.1
202.10805	0.6
208.16838	0.4
217.96851	0.4
227.12805	3.3
248.16428	1.0
250.14432	0.6
261.22235	0.6
285.16989	0.4
295.98633	0.4
335.25842	8.8
462.72879	0.4
505.35245	0.9
612.33954	0.5
646.43506	0.8
664.44427	2.7
697.82178	0.5
826.49573	87.2
827.50159	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	826.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	2.9
59.06133	0.6
59.08902	0.3
61.02929	10.2
65.03951	1.3
67.05510	61.5
69.03434	2.2
69.07071	6.0
69.84975	2.1
70.06593	1.3
71.04984	2.8
71.08638	14.4
73.02923	3.0
79.05501	1.6
81.03432	1.0
81.07067	13.7
81.07521	0.9
83.04974	0.6
83.08630	8.0
85.02909	11.7
85.06538	2.7
85.10188	8.6
86.09716	1.1
89.06041	1.3
91.03957	7.4
91.05495	5.0
93.07050	2.8
95.08612	14.5
96.04496	0.5
97.02901	6.5
97.06552	0.5
97.09595	0.6
97.10160	3.3
99.04440	0.5
99.08099	0.6
99.11734	0.7
101.07095	0.4
103.07604	0.6
107.08601	1.3
109.02837	0.6
109.10165	61.9
110.10499	0.8
111.08103	2.5
111.08796	0.3
111.11768	0.4
119.08581	4.4
122.26349	0.4
123.11714	2.5
125.00015	0.7
127.03921	2.6
137.09610	3.3
137.13260	0.8
145.04979	3.1
155.10661	5.2
156.03114	0.4
163.06027	3.4
165.16415	0.5
173.11749	17.0
180.08714	0.5
184.07361	2.4
221.22758	0.6
229.14371	100.0
230.14725	1.2
232.12837	0.5
238.12250	0.4
239.23730	1.8
257.24750	2.0
313.27383	81.3
314.27802	2.4
326.19785	0.5
327.26974	0.4
373.18689	0.5
440.99335	0.4
467.37378	68.5
468.37497	2.6
574.34253	0.4
606.43701	0.9
639.91754	0.5
826.48608	1.5
844.65558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.4
61.02923	6.8
65.03941	5.7
67.05511	97.7
69.03436	9.7
69.07079	30.1
69.30453	13.0
71.04974	5.4
71.08629	6.5
73.02916	4.1
79.05495	62.6
81.03432	8.0
81.07063	100.0
83.05003	9.5
83.08623	19.6
85.02900	8.8
85.06544	5.6
86.09705	5.7
91.03954	2.3
91.05488	42.8
93.07050	66.6
95.04980	9.6
95.08617	58.3
96.08955	2.6
97.02889	8.5
97.06531	9.0
97.10162	10.8
98.21526	3.1
99.04462	2.7
99.08114	8.5
101.75092	1.7
105.04548	2.2
105.07040	31.7
107.04938	4.8
107.08607	41.8
109.02905	3.0
109.06503	4.7
109.09476	2.1
109.10174	27.9
111.08086	6.2
117.07027	12.9
119.08595	26.9
119.80343	1.6
121.06514	3.7
121.10152	25.7
123.08083	3.4
123.11739	8.1
124.99990	3.4
125.09660	7.5
127.03923	6.8
129.05533	1.8
129.07019	4.1
131.08572	18.0
133.10139	19.3
135.08127	2.8
135.11725	14.4
137.09601	2.4
137.13277	2.0
139.11203	2.7
143.08612	3.6
145.04890	1.9
145.10132	13.0
147.08096	1.6
147.11707	13.7
149.09637	4.0
149.13268	12.6
151.11200	8.4
157.10085	3.1
159.11720	12.4
161.13251	8.4
163.11166	6.9
163.14836	4.4
163.65511	1.9
165.12726	2.7
169.10150	2.7
171.11678	3.4
173.04462	2.4
173.11841	3.5
173.13290	7.4
174.89391	1.8
175.14845	4.0
177.12759	4.7
179.14349	3.2
183.11635	1.8
184.07326	13.7
185.13269	3.0
187.14853	2.3
189.11273	3.4
195.13861	5.9
197.13373	2.3
199.14864	2.2
213.14970	1.8
219.17474	2.0
227.12808	11.0
229.14334	11.6
239.18062	1.9
241.19525	2.0
243.21117	3.5
257.19012	4.7
259.20578	3.7
261.22147	11.8
267.15970	4.7
269.17493	33.8
275.20105	20.3
275.75226	1.6
277.21585	7.3
293.17639	1.7
293.21240	2.9
331.18933	3.0
335.25821	61.0
336.26263	4.1
337.27362	34.3
349.23798	18.9
351.25299	10.9
413.21896	1.8
489.35764	7.7
491.37186	4.0
507.37030	2.4
519.29663	2.0
529.38916	58.8
530.38940	4.1
531.40631	3.3
547.39703	2.6
549.27155	2.1
571.43445	2.3
611.46692	32.6
612.46454	2.0
629.47058	8.6
809.46075	1.8
826.51611	2.1
827.49365	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	826.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	3.8
65.03935	4.0
67.05510	93.9
69.03432	9.4
69.07082	39.5
71.04987	4.8
71.08652	3.5
71.55455	3.7
79.05494	52.3
81.03419	12.6
81.07064	100.0
82.07378	3.2
83.04977	9.4
83.08629	22.3
83.15104	3.1
85.02903	7.1
85.06532	4.3
86.09647	2.9
91.05494	50.2
93.07053	54.5
95.04964	9.7
95.08617	58.6
97.02879	4.0
97.06526	9.6
97.10165	8.4
99.08086	6.2
103.98486	4.0
105.07050	33.2
107.04977	6.7
107.08598	29.7
109.10149	21.2
111.08076	7.6
117.07032	16.3
119.08621	28.8
121.10185	22.0
123.11668	8.5
129.06992	8.8
131.08574	20.9
133.10165	22.5
135.11694	13.4
139.11119	3.6
143.08592	8.1
145.10146	16.5
147.11694	14.9
149.09633	7.6
149.13228	11.4
153.12698	3.7
157.10052	3.9
159.11685	11.9
161.13258	6.3
163.11157	3.7
175.14815	4.3
184.07368	12.7
185.02028	2.9
185.13283	3.6
194.27840	3.6
195.13751	4.3
197.13266	4.6
227.12758	5.9
229.14279	8.1
255.15897	6.3
257.19089	5.1
269.17465	19.6
275.20126	22.9
291.19608	5.1
293.21097	9.8
309.20468	9.1
335.25757	8.3
337.27356	88.5
349.23810	23.1
367.24460	5.9
491.36880	6.1
517.38568	15.1
531.40485	46.7
571.43695	19.8
611.46924	29.7
629.47235	8.4
827.48639	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	827.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45382	0.4
61.02923	0.7
65.03939	1.7
67.05506	0.9
67.71243	0.4
69.07063	0.6
70.06597	0.9
71.55095	0.6
74.36891	0.4
79.05491	0.4
81.03426	0.5
81.07060	0.6
91.03976	0.4
91.05487	14.8
91.93958	0.4
92.66742	0.4
93.07068	0.7
95.04921	0.6
96.08097	0.5
97.06583	0.5
107.04986	0.4
109.10154	0.6
113.66795	0.4
115.69416	0.4
119.04955	30.6
120.05257	0.5
122.05294	0.4
123.86131	0.4
128.43237	0.4
137.05980	1.4
147.04422	100.0
148.04794	1.7
163.03860	0.5
165.05515	0.5
174.03180	0.4
175.03894	0.6
187.03900	0.9
205.05055	0.4
211.22565	0.4
221.08110	23.3
222.08537	0.6
249.05522	0.6
263.07144	0.5
265.04974	3.0
275.07071	0.5
288.90656	0.4
293.04459	2.3
308.06787	11.6
319.05942	1.1
323.08987	0.8
336.06183	0.5
351.08698	6.4
352.08810	0.5
358.78345	0.4
367.11682	3.1
425.12332	1.3
571.16010	4.1
589.17230	0.8
663.20758	1.8
809.24005	1.8
827.43768	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	1.0
61.02930	5.1
67.05506	4.9
69.03087	0.5
69.03420	3.8
69.07076	2.4
69.37545	1.2
69.37958	4.1
70.06592	1.4
71.01356	0.8
71.04992	2.2
73.02924	2.4
79.05509	6.4
81.03413	4.6
81.07072	5.9
83.04984	1.5
83.08631	1.6
83.97383	0.6
85.02921	4.4
85.06569	0.8
91.03967	2.7
91.05501	6.8
93.07047	3.6
95.04977	1.9
95.08631	2.5
97.02901	4.7
97.06548	2.9
98.20793	1.3
99.04459	1.0
101.02402	1.4
105.07037	3.0
107.04964	0.8
107.08607	2.1
109.02903	1.1
109.06530	0.7
109.10203	1.7
111.04533	0.8
111.08091	0.7
117.07027	1.0
119.04958	5.1
119.08598	2.1
121.10186	2.4
125.09684	1.0
127.04001	1.6
129.07037	1.9
131.00194	0.7
131.08635	0.9
133.10165	1.5
135.11742	0.8
147.04433	17.0
147.11748	1.6
148.04771	0.8
149.09673	2.1
157.10161	1.7
163.03966	0.8
175.11237	1.2
183.06415	0.6
184.07365	0.7
185.04526	0.6
193.12346	1.4
197.15309	0.8
198.67732	0.7
214.59259	0.6
215.55370	0.6
221.08070	3.1
225.14911	0.8
243.08441	3.9
267.15994	1.2
283.15244	3.2
339.17874	1.1
349.19934	4.0
367.12061	1.9
405.22403	1.1
439.19632	1.2
501.23178	11.7
506.97348	0.7
567.27832	6.6
573.25812	1.1
785.08551	0.7
827.44012	100.0
828.44012	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	827.49
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29747	0.5
61.02933	6.7
65.03942	1.2
67.05507	11.2
69.03439	4.0
69.07077	2.0
71.05016	0.9
71.08627	1.2
71.55045	0.9
73.02921	5.7
79.05495	5.0
81.03420	1.8
81.07049	5.9
83.08630	2.0
85.02917	5.8
85.10209	0.8
91.03958	3.7
91.05464	3.2
93.07043	5.6
95.04990	0.7
95.08613	6.2
97.02888	5.0
97.10162	0.5
99.04465	1.4
101.02403	1.8
101.07159	1.0
105.07049	2.1
107.08594	2.9
109.02876	0.8
109.06544	0.7
109.10153	6.6
110.10494	1.2
117.07027	0.9
119.08601	2.7
121.06493	0.5
121.10162	1.3
123.11807	0.5
127.03951	2.1
131.08597	1.8
133.10172	1.0
135.08122	0.5
135.11682	0.8
137.13495	0.5
143.08650	0.8
145.04973	0.8
145.10162	1.7
173.11823	1.6
173.13274	0.5
184.07368	1.3
226.20175	0.5
229.14404	6.2
230.14542	2.9
243.08353	2.7
285.56085	0.5
302.61920	0.5
304.12057	0.6
313.27368	3.7
314.27655	3.3
331.15131	0.4
331.18878	7.7
413.17972	0.7
467.37473	2.2
468.37762	5.0
519.29388	6.3
549.26691	2.8
645.62958	0.6
827.49182	100.0
828.49542	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	827.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.9
67.05514	8.8
69.03437	4.7
69.07089	2.8
71.08659	0.7
71.56030	0.6
73.02917	4.8
79.05498	6.0
81.03441	1.9
81.07069	8.4
83.05000	0.7
83.08643	1.0
85.02914	5.2
87.04507	0.6
91.03947	3.2
91.05489	3.4
93.07063	6.0
95.05003	0.7
95.08622	5.6
97.02923	5.3
97.10197	1.6
99.04439	0.9
101.02406	1.6
105.07059	2.2
107.08634	3.1
109.02917	1.2
109.06549	0.8
109.10185	1.8
115.03976	0.7
115.78732	0.5
117.07056	1.4
119.08633	2.2
121.10164	3.1
125.09663	0.5
127.03938	1.3
131.08630	1.4
133.10161	0.9
135.08141	0.5
145.10173	1.0
152.89027	0.5
163.11299	0.6
166.02574	0.6
184.07428	0.9
185.04251	0.8
189.11382	0.5
223.13414	0.9
227.12848	1.0
243.08501	2.8
291.19904	0.7
331.19009	2.2
335.26175	1.2
336.26245	0.8
386.41565	0.5
519.29315	9.0
549.26678	2.9
612.47632	1.1
827.49243	100.0
828.49310	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	827.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.0
65.03947	1.0
67.05508	18.7
68.05833	1.0
69.03436	4.9
69.07059	5.7
71.05010	1.2
71.08637	1.3
73.02937	3.5
78.83820	0.7
79.05499	12.3
79.80252	0.8
80.05840	1.4
81.03413	3.8
81.07066	19.0
82.07403	1.4
83.04987	3.1
83.08623	2.2
85.02908	6.4
85.06583	0.7
91.03983	2.9
91.05479	7.9
92.05842	1.3
93.07047	12.6
94.07387	1.7
95.04988	2.7
95.08609	9.8
96.08974	1.6
97.02895	4.8
97.06570	1.1
97.10196	2.0
99.04455	1.3
99.08115	1.3
101.02415	2.0
104.86197	0.7
105.07028	6.1
107.08598	7.0
109.02885	1.0
109.10167	5.5
113.19019	0.6
115.03934	0.7
117.07062	2.7
119.08607	3.6
121.06530	0.7
121.10169	4.5
122.10487	0.8
123.11732	1.8
127.03941	2.1
131.08580	3.7
133.10167	2.7
135.11725	3.0
136.12138	0.9
143.08597	1.2
145.10207	1.7
147.11737	1.9
149.13315	2.6
151.11169	0.9
159.11719	1.3
161.13327	1.1
173.13342	0.8
227.12794	0.9
231.67743	0.7
243.08519	2.0
267.16461	0.8
269.17627	2.3
270.17978	1.8
275.20117	1.1
331.18814	4.5
335.25900	6.7
336.26196	4.0
337.27472	2.1
338.27771	1.3
349.23712	0.9
352.25851	1.0
384.10623	0.7
519.29285	7.2
520.30493	1.1
529.38879	3.5
530.39301	6.7
549.26813	2.8
611.46997	0.9
612.47430	2.3
827.49200	100.0
828.49420	6.1
831.54773	1.0
851.14148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57845	0.2
61.02926	0.3
65.03931	0.4
67.05501	0.5
68.02656	0.4
68.99812	0.4
69.03438	2.4
69.39610	1.5
70.06582	0.2
71.04989	0.9
73.02901	0.8
74.68508	0.2
79.05484	0.6
81.03423	4.1
82.04179	0.2
83.04989	2.2
85.02913	8.3
86.03702	0.5
89.03918	3.7
89.04416	0.4
93.03368	0.4
95.01327	0.4
95.04968	0.5
97.02902	5.9
98.03677	0.3
99.04467	7.5
103.03950	5.7
103.04642	0.3
107.04995	1.0
108.28628	0.2
109.02888	7.2
111.04454	3.8
113.02369	0.6
113.06027	1.4
115.03925	0.2
116.58434	0.2
117.02608	0.4
117.03391	5.4
123.04456	0.2
125.06030	0.8
126.03130	0.4
127.03926	16.5
128.04739	1.9
135.04430	11.3
137.02380	1.1
138.03130	0.3
139.03917	8.0
140.04634	0.2
141.05478	8.6
143.07069	1.2
145.02858	10.4
145.04941	4.6
153.05450	0.4
154.02615	1.1
155.03458	0.2
155.04956	0.5
157.02751	0.2
163.03917	100.0
164.04256	1.8
169.04985	12.2
170.05714	0.4
171.06551	0.7
173.02342	0.3
173.27673	0.2
183.04433	0.9
184.05177	0.2
187.03917	0.2
187.05991	0.5
191.03419	0.9
195.04504	0.2
197.06052	0.3
199.06091	0.3
200.04645	0.3
201.05580	0.2
209.04416	0.9
210.03133	0.3
211.03952	1.2
212.04697	0.3
213.05527	0.3
215.03453	0.2
221.04494	0.6
223.03932	0.3
225.05527	0.2
227.07100	0.3
227.09195	0.6
228.04198	1.8
229.04922	1.2
231.02919	0.7
238.02615	0.8
239.03406	3.5
240.04138	0.3
241.05022	0.7
243.06534	0.8
245.04466	0.4
247.06071	0.6
253.04967	0.9
253.07263	0.4
254.05600	0.3
255.06580	0.5
256.03687	14.3
257.04489	3.9
258.05115	0.4
267.02905	2.2
268.03708	0.3
269.04211	0.3
270.05075	0.3
271.05984	14.5
272.06686	0.7
273.07605	0.4
275.05447	0.3
281.04443	0.7
282.05328	1.1
283.06061	0.8
285.03967	1.4
288.06219	0.3
289.06931	1.2
299.05521	17.0
300.06067	0.5
303.08539	0.9
313.07062	0.6
316.05811	0.4
317.06647	2.8
331.08145	55.1
332.08554	1.6
349.04883	0.4
349.09180	7.9
395.20630	0.2
399.10706	0.8
427.10312	1.9
445.11105	1.0
459.12830	2.5
473.10843	10.9
474.11035	0.8
491.11676	0.4
505.13455	6.8
800.70032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	0.5
68.02646	1.0
68.99812	0.7
69.03431	4.2
69.55824	3.1
71.04984	1.7
73.02911	1.7
79.05530	0.7
81.03420	6.1
83.04969	3.2
85.02913	11.5
89.03915	4.2
95.05010	0.6
97.02893	8.6
98.03703	0.6
98.21533	0.4
98.97619	0.5
99.04465	11.2
103.03952	10.3
105.06966	0.4
107.04976	1.5
108.59991	0.4
109.02887	10.6
110.03645	0.5
111.00881	0.5
111.04436	3.1
113.06000	6.8
115.03917	0.5
117.03380	6.6
125.05997	1.2
126.03114	0.9
127.03927	21.3
128.04665	1.6
133.02824	0.4
135.04425	13.7
136.04811	0.5
137.02368	0.7
139.03911	5.7
141.05476	40.0
145.02855	11.3
145.04971	7.4
145.66516	0.4
147.04379	0.5
154.02667	0.8
163.03918	100.0
164.04247	1.0
169.04977	49.9
170.05586	1.0
171.06546	1.5
181.06509	0.6
183.04448	1.0
187.06004	1.3
211.03885	1.1
212.04707	0.5
223.03906	0.5
225.05573	0.5
228.04199	2.7
229.04964	0.9
238.02811	0.6
239.03397	4.0
240.10146	0.5
241.04985	0.8
243.06670	0.7
247.06140	0.7
253.04933	1.4
255.06566	0.6
256.03690	17.5
257.04501	4.0
267.02814	1.7
268.03690	0.6
269.04245	0.5
271.05997	17.1
272.06552	0.8
273.07797	0.6
281.04404	1.0
282.05276	1.4
285.03937	2.3
289.07080	0.6
299.05527	15.1
300.05786	0.6
303.08667	0.7
313.07117	1.1
317.06482	2.1
331.08136	99.2
332.08444	2.0
349.09198	5.0
399.10828	1.4
427.10135	2.5
445.11166	2.1
459.12970	5.0
473.10861	15.6
505.13419	14.4
506.13647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	5.4
65.03957	0.5
67.05517	6.8
69.03429	3.1
69.07078	1.9
71.00233	0.5
71.00572	0.7
71.04997	0.8
73.02921	3.6
75.53451	0.3
79.05504	5.1
81.03428	2.0
81.07066	6.0
83.01334	0.4
83.04976	0.4
83.08659	0.6
85.02914	5.9
85.06590	0.3
91.03972	3.8
91.05495	3.7
93.07063	5.3
95.05018	0.6
95.08617	4.0
97.02906	5.5
97.06551	0.5
99.04465	1.0
101.02399	2.2
105.07028	2.0
107.08599	2.5
109.02892	0.8
109.06505	0.5
109.10193	1.8
115.03983	0.3
117.07011	0.6
119.08589	1.8
121.10201	1.3
123.11694	0.5
127.03965	1.3
129.07056	0.5
131.08600	0.8
133.10191	1.3
135.11758	1.4
145.10213	1.0
147.11783	0.7
149.13307	0.4
150.00473	0.4
173.13353	0.5
185.04271	0.8
203.05423	0.4
206.23210	0.4
231.49695	0.4
243.08478	2.9
333.20416	3.3
335.26007	0.6
338.63303	0.4
352.47375	0.3
453.21185	0.4
479.22958	0.4
504.93634	0.4
519.29346	7.8
551.28381	4.1
829.50793	100.0
830.50958	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	831.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	7.5
67.05162	0.6
67.05509	5.9
69.03432	4.4
69.07067	0.4
69.29682	0.4
69.30234	0.8
69.30631	3.2
71.01353	0.5
71.04998	0.8
71.08637	1.8
73.02930	4.9
73.98026	0.4
74.90081	0.4
79.05486	0.6
81.03435	2.3
81.07043	2.3
83.04948	0.4
83.08629	1.5
85.02907	7.7
85.10195	1.0
87.04462	0.7
91.03967	5.0
91.59001	0.3
93.07034	0.5
95.08616	1.5
97.02902	7.0
97.10197	0.4
99.04474	1.7
101.02386	3.2
103.03945	0.6
109.02893	0.7
109.10159	6.8
112.66879	0.4
115.03957	0.7
119.08604	0.8
123.11768	0.4
127.03922	2.6
145.04907	0.6
155.10695	0.8
173.11716	1.9
185.04298	1.7
195.10023	0.9
197.34969	0.4
203.05373	0.9
229.14423	1.5
243.08441	2.9
249.92041	0.5
251.12613	0.6
276.00482	0.4
313.27493	1.3
327.38632	0.4
347.09464	3.0
363.09094	0.5
365.10651	1.3
368.13474	0.5
405.13672	7.2
413.17886	12.3
422.48816	0.5
452.07086	0.4
497.30988	6.4
572.62183	0.4
575.23218	10.7
575.32001	0.8
589.34857	0.5
659.36115	4.7
669.41840	2.9
831.47131	100.0
832.47070	5.1
837.73700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65871	0.8
61.02935	6.2
67.05511	8.5
69.03436	4.2
69.07072	1.9
71.55550	1.3
73.02927	3.2
79.05506	5.1
81.03420	2.3
81.07057	7.4
83.08619	1.5
85.02918	4.3
91.03973	2.5
91.05495	3.1
93.07050	4.1
95.08628	5.3
97.02890	5.4
101.02390	2.0
105.07053	2.3
107.08613	2.7
109.10158	2.7
119.08607	2.2
121.10210	2.5
123.78670	0.9
127.03958	1.5
133.10088	1.0
135.11743	1.1
151.76003	0.9
159.11781	0.9
160.46832	0.9
243.08531	2.6
310.96063	0.9
318.08887	0.9
333.20404	1.2
335.22037	1.2
433.30795	0.9
519.29523	3.0
521.30920	3.7
551.28571	2.2
553.30121	2.4
831.52252	100.0
832.52148	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	832.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02949	0.7
58.06604	57.7
59.06128	3.8
60.04533	1.1
61.02939	4.3
65.03949	1.8
66.46868	0.5
67.05510	26.3
68.05029	0.9
69.00996	0.5
69.03428	2.8
69.07086	5.4
70.06590	2.3
70.06959	0.6
71.55456	1.0
72.08167	1.0
73.02913	2.0
79.05496	23.6
80.05017	2.7
81.03426	1.5
81.05809	1.8
81.07063	22.2
82.06589	5.4
83.05016	1.0
83.08630	3.0
84.04525	3.0
84.08147	7.1
85.02888	3.9
85.06495	0.7
91.03961	1.8
91.05486	18.1
93.05804	0.7
93.07050	20.0
94.06581	12.8
95.04995	4.1
95.07397	1.2
95.08606	15.7
96.04507	1.6
96.08145	4.2
97.02890	3.8
97.06521	1.5
98.09714	1.0
103.05499	0.8
105.04542	1.0
105.07034	12.4
106.06573	1.4
107.04961	0.9
107.07412	0.8
107.08603	14.0
108.08126	2.2
108.08794	0.6
109.06544	1.3
109.10165	5.1
110.06061	0.9
110.09694	2.0
112.07618	2.9
114.09185	1.0
117.07046	5.0
119.08596	8.3
120.08131	2.7
121.06510	0.7
121.10159	7.7
122.09701	2.3
123.08113	1.1
123.11696	1.3
124.11234	5.0
128.06244	0.8
129.07033	2.1
130.07771	0.7
131.08588	5.5
132.08102	1.3
133.10152	4.9
134.09691	2.5
135.11682	4.5
136.11252	2.2
143.08607	2.1
145.10141	5.3
146.09671	1.0
147.08095	0.8
147.11694	3.5
148.11221	1.3
149.09758	0.7
149.13306	1.7
150.12852	0.6
152.10733	3.2
157.10129	1.3
159.11742	2.9
160.11278	1.3
161.13370	1.1
162.12817	1.8
163.11189	1.5
164.14349	3.4
171.11784	1.1
173.09782	0.7
173.13327	1.6
174.12837	0.9
180.13911	1.9
185.13257	0.8
187.14807	0.9
189.12863	0.7
220.16980	2.2
232.17148	0.7
241.19583	1.0
250.18117	0.7
254.17468	0.8
260.20154	1.0
272.18665	0.9
273.22098	0.7
278.86020	0.7
283.20724	0.7
300.23206	1.5
301.21722	2.0
318.24286	4.8
335.25839	11.4
336.25790	1.0
374.26956	1.1
375.25461	0.8
392.27933	4.2
410.28979	1.0
453.98383	0.6
532.39996	3.4
560.39819	0.8
572.43347	2.2
600.42133	0.8
612.46466	2.4
623.47424	1.1
635.46985	1.7
652.49384	8.5
670.50458	100.0
671.50732	8.5
741.07489	0.7
744.04498	0.6
814.54791	1.7
832.55719	16.7
833.56122	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	3.0
69.03431	2.8
70.06586	0.9
71.55070	1.5
79.05476	2.8
81.03426	2.9
81.07039	1.4
83.04974	1.0
84.08154	1.2
85.02899	2.8
89.03914	1.2
91.05476	2.4
93.07029	1.7
94.06579	1.7
95.04950	1.7
95.07339	0.8
96.08118	2.3
97.02898	1.9
97.06522	2.5
105.07028	1.3
107.08579	1.6
107.98989	0.9
108.08088	2.3
109.10166	1.9
109.90616	0.8
110.09007	0.9
110.09679	3.2
116.04980	3.4
119.08591	1.0
120.08092	2.5
121.02827	1.0
122.06070	5.9
124.07600	5.3
125.87003	0.8
127.03912	0.7
131.89098	0.8
132.08051	0.8
134.59850	0.7
135.04382	1.4
136.07582	6.7
138.09152	5.3
144.04439	8.3
145.02872	1.3
146.05978	2.5
147.04411	2.2
148.07576	1.8
150.05481	2.7
150.09167	1.0
152.07077	1.7
162.05511	4.0
163.03943	4.8
164.07079	1.0
166.08646	8.1
167.07106	1.3
168.06592	1.3
172.03946	45.6
172.07536	1.7
173.04329	1.5
174.05515	1.4
181.63843	0.8
182.08133	1.8
182.09743	1.1
185.10794	1.5
190.04982	10.1
197.10773	1.0
198.09177	1.6
199.08585	1.3
201.10266	2.5
204.06570	82.9
205.06926	1.5
208.07666	0.8
212.10770	2.0
213.10229	3.2
215.11833	2.5
225.10185	2.5
226.77811	0.9
227.08157	3.1
228.12555	1.6
229.09738	2.2
229.13300	1.2
239.11829	2.0
241.09721	5.4
241.13322	3.5
242.10515	11.5
243.11140	3.9
245.12724	0.9
255.11197	1.9
256.12112	7.2
257.12888	9.3
258.11215	2.0
258.13577	2.0
259.09717	1.4
267.08911	1.2
279.11295	1.6
284.11472	5.4
285.12296	3.2
287.10117	1.8
289.15439	3.9
297.12463	3.0
302.12564	2.4
317.14966	100.0
318.15317	2.9
325.11871	13.6
329.11569	1.7
329.14932	1.4
334.09482	0.9
339.13327	3.0
343.12836	2.1
357.14462	21.8
476.18127	2.8
487.17169	8.3
488.17825	1.3
501.23102	1.3
508.21005	0.9
519.19775	1.5
575.23151	1.6
597.27625	1.6
609.23285	1.7
641.26007	11.8
663.28436	1.3
759.32416	1.6
803.31403	3.8
835.39441	10.7
836.40771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.3
61.27039	0.7
62.46484	0.7
65.03954	0.8
67.05512	3.4
69.03418	1.4
69.07062	1.1
70.06606	1.1
71.28574	0.7
71.54971	1.2
71.55399	0.8
73.02945	1.4
76.18491	0.7
79.05483	1.9
81.03416	2.7
81.07038	2.0
83.08620	0.8
85.02911	3.1
89.03898	0.9
91.03949	0.8
91.05489	1.8
93.07030	1.5
94.06551	1.9
95.04982	2.0
95.08614	0.8
96.08123	1.8
97.02909	1.8
97.06520	1.6
103.76970	0.6
105.07023	0.8
106.06567	0.8
107.04969	1.1
108.08106	1.8
109.02885	0.8
109.10127	1.6
110.09662	2.3
116.04968	2.9
119.04904	0.9
120.08101	2.5
121.10178	0.9
122.06046	6.8
124.07569	4.0
131.67555	0.7
136.07608	5.5
138.09155	3.1
144.04466	7.6
146.06006	1.2
147.04431	2.7
147.11723	0.9
148.04855	0.8
148.07684	1.6
150.05521	2.5
152.07117	1.4
152.32414	0.7
153.05545	0.7
162.05582	3.7
163.03920	3.4
166.08662	7.4
167.07118	0.9
172.03952	43.3
173.04362	1.5
174.05522	0.9
177.05504	1.2
185.10797	1.7
187.12294	0.7
190.05006	10.9
193.12306	1.0
196.09880	0.9
198.09160	2.3
199.12328	1.6
201.10242	2.3
204.06580	77.2
205.06943	2.1
210.14883	1.1
212.10739	1.5
213.10251	3.1
213.13847	0.8
214.10799	0.7
215.07166	0.7
215.11807	2.4
218.08096	0.7
225.10207	1.5
227.08264	1.5
227.11781	1.4
229.09793	2.2
240.10291	1.3
241.09778	5.9
241.13414	2.8
242.10527	10.5
243.11287	3.6
255.11302	2.0
256.12082	7.4
257.12851	9.4
258.11224	2.5
258.13657	1.3
259.09756	1.5
267.11462	1.4
273.12280	0.7
273.88092	0.7
279.11304	1.7
284.11679	6.3
285.12589	3.3
287.10474	1.9
289.15482	4.6
297.12204	1.3
301.11923	1.0
302.12369	3.3
307.10818	1.0
315.13409	1.2
317.14993	100.0
318.15335	2.9
325.11853	12.5
329.11337	1.6
329.14880	0.9
339.13654	1.4
343.12863	2.8
357.14511	23.1
405.13412	0.8
464.19440	0.8
476.17941	1.8
487.17172	8.3
488.18158	1.6
508.21112	1.1
519.20026	1.1
575.23468	1.5
597.27002	2.3
609.23315	1.4
641.26093	12.5
663.29199	0.9
673.27759	1.1
709.83734	0.8
803.30646	2.7
835.39441	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	838.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.9
67.05510	82.4
69.03432	2.7
69.07075	15.9
71.04999	7.2
71.15371	4.7
73.02927	3.5
79.05499	33.8
81.03424	100.0
81.07067	36.7
83.04992	11.6
83.08621	25.8
85.02908	10.1
85.06537	3.0
85.75976	2.0
87.04469	4.3
91.05495	36.3
93.07050	23.7
93.88921	2.1
94.34679	2.2
95.04981	32.3
95.08610	15.5
97.02908	6.3
97.06525	8.6
97.10164	16.4
105.07045	20.5
107.04964	16.6
107.08600	19.4
109.06551	9.8
109.10164	54.5
111.04424	3.0
111.08121	10.0
117.07023	6.7
119.08592	22.2
120.58137	2.1
121.06535	6.9
121.10139	13.1
122.31628	2.5
123.04478	3.3
123.08081	6.5
125.09628	17.5
129.05539	2.5
129.07010	10.3
131.08595	13.8
133.10158	5.3
135.08076	5.1
135.11732	4.6
137.09665	6.9
145.10110	5.0
147.04413	5.6
147.08075	7.3
147.11673	9.0
149.09619	7.2
153.12746	4.9
155.10733	5.1
157.10153	13.0
159.11739	2.6
161.09663	4.3
163.11214	7.6
169.10080	3.1
171.08066	2.4
173.09596	2.8
173.11809	12.6
173.13045	2.3
175.11226	9.6
177.43155	2.2
189.11278	5.0
191.10622	4.0
193.12274	29.0
205.12221	2.8
209.11769	9.0
211.13402	7.1
219.13773	3.2
227.12776	16.9
229.14349	39.2
247.13356	4.1
249.14879	5.2
267.15936	74.6
273.18491	4.7
283.15436	7.9
293.17511	2.6
301.16537	8.8
347.70877	2.3
355.22488	2.7
358.43533	2.2
367.22675	3.6
373.23969	3.1
383.22272	6.6
385.23636	4.4
399.23776	12.7
401.23480	6.9
403.24939	3.7
419.24194	3.4
421.25943	23.7
458.26520	14.1
459.27435	6.0
475.26770	11.6
476.27682	14.7
493.27939	9.2
500.24564	2.6
518.32043	3.3
591.35144	9.1
813.54956	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	838.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60437	2.8
65.03944	6.7
67.05512	95.6
68.15256	2.5
69.03419	9.2
69.07080	29.7
71.04977	9.7
78.41851	2.4
79.05503	82.2
81.03434	20.2
81.07068	81.5
83.05001	18.2
83.08625	16.1
85.02891	6.7
85.06529	6.5
87.04462	4.8
88.50341	2.8
91.05486	61.7
93.06479	4.1
93.07056	83.9
95.04971	26.3
95.08619	59.0
97.02936	3.2
97.06541	26.5
97.10153	14.2
98.20677	5.3
99.08080	4.0
105.07043	40.0
107.04967	23.4
107.08607	39.2
109.06523	26.0
109.10159	26.9
111.04436	8.8
111.08073	7.6
113.06012	4.5
115.05445	2.9
117.07027	20.7
119.08606	32.7
121.02851	12.4
121.06521	20.7
121.10159	27.6
123.04396	4.9
123.08060	13.8
123.11726	7.1
125.05987	11.4
125.09649	12.2
127.03887	2.8
128.06187	4.3
129.06975	13.1
131.08572	24.8
133.06487	4.8
133.10141	18.8
135.08069	19.9
135.11725	13.8
137.06020	4.5
137.09599	8.7
139.11142	2.9
141.06949	4.0
143.08588	7.4
145.06474	9.1
145.10153	14.8
147.08078	11.1
147.11658	11.9
149.05952	6.5
149.09651	13.8
149.13286	9.2
151.07527	4.3
155.08566	6.4
157.10149	8.2
159.08075	34.8
159.11729	8.6
161.09598	8.4
161.13240	4.5
163.07555	8.1
163.11183	5.3
163.14824	3.3
165.09145	3.3
169.10126	7.2
171.11745	4.6
173.09625	6.2
173.13289	6.3
175.11215	10.8
175.14900	3.7
177.09149	4.5
177.12762	5.4
183.11745	4.1
185.09583	3.4
185.13284	3.3
187.11220	4.7
187.14851	5.3
189.11226	4.4
189.12794	4.3
193.12247	6.7
215.14412	5.8
219.13902	6.9
221.11687	2.9
223.13316	5.5
227.12788	8.2
233.15398	35.1
241.14380	8.3
243.17384	3.6
246.39511	3.4
247.13264	3.0
251.16490	5.3
253.15999	4.8
261.18530	9.7
261.22192	9.1
267.15979	4.9
271.17062	16.3
279.15921	5.2
289.18027	63.6
290.84961	2.9
307.19101	26.4
317.25009	3.5
321.16986	3.4
335.25836	100.0
341.09280	2.9
363.21591	27.5
381.22754	28.3
501.35120	3.0
527.37555	4.4
623.43146	27.0
641.44269	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.3
61.02925	5.0
62.30609	1.8
65.03930	7.4
65.44006	1.8
67.05510	100.0
68.95731	1.8
69.03433	18.3
69.06716	3.2
69.07074	52.9
70.20168	6.0
71.01331	1.7
71.05000	21.8
73.02922	6.6
73.29769	1.7
79.05500	86.6
80.05841	2.4
81.03421	24.8
81.07064	96.5
83.04986	15.1
83.08641	14.2
85.02932	9.8
85.06544	4.8
87.04482	2.3
91.03968	2.2
91.05493	61.6
93.07053	85.0
95.04975	18.3
95.08616	56.0
95.09227	2.8
97.02915	11.4
97.06539	77.6
97.10161	5.5
99.04476	3.8
99.08091	6.9
105.04501	3.3
105.06392	2.7
105.07046	39.9
105.07749	2.3
107.04956	11.0
107.08604	35.7
109.02900	3.5
109.06528	23.2
109.10164	22.3
111.04436	2.3
111.08085	8.5
113.06029	2.2
115.05471	2.7
115.07579	23.0
117.06998	18.0
119.08599	28.7
121.06505	4.2
121.10165	27.8
123.04422	2.0
123.08078	8.4
123.11712	7.3
125.09645	2.8
127.03896	7.5
129.06998	11.2
131.08578	32.3
131.62268	2.0
133.06491	8.2
133.10143	23.1
135.08063	15.6
135.11714	15.5
137.09624	4.4
139.11188	2.0
141.06956	3.5
143.08583	9.8
145.10139	15.5
147.08057	7.4
147.11652	10.6
149.09633	7.0
149.13300	11.3
151.11200	3.0
155.08514	2.7
157.10147	11.4
159.08147	3.0
159.11696	12.7
161.09634	7.1
161.13281	5.3
163.11266	3.3
163.14844	3.1
169.10115	3.2
171.11691	6.2
173.04431	6.6
173.09659	3.0
173.13287	9.0
175.11183	4.5
175.14899	3.9
177.12733	5.0
183.11642	2.4
185.13091	3.4
187.14859	3.3
193.12166	2.4
195.11906	1.8
195.13809	4.0
197.13197	2.6
199.11185	2.9
199.14749	3.0
201.07680	2.0
217.15898	6.8
227.12746	2.0
227.18007	2.4
229.14313	2.2
233.15450	6.0
243.20995	2.4
245.19061	4.9
253.14313	2.6
255.17592	3.2
257.19116	2.1
259.20612	2.6
261.22208	10.8
267.15933	4.5
269.17499	13.9
273.18478	31.6
275.20114	3.9
291.19583	12.9
307.19095	5.4
313.27213	2.2
333.24176	2.3
335.25833	98.8
336.26190	2.5
337.27411	3.9
347.22318	11.3
365.23172	11.3
374.73318	2.2
400.57874	1.9
515.37146	3.0
529.38904	27.9
531.65790	2.1
567.40796	3.0
607.43274	5.6
625.44525	21.2
643.45526	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.5
65.03944	6.1
67.05513	92.6
69.03441	20.0
69.07076	60.0
71.05000	23.5
71.55998	2.0
73.02918	5.3
77.03902	1.8
79.05502	88.0
81.03430	26.6
81.07067	100.0
83.04987	14.6
83.08627	14.1
85.02897	10.6
85.06537	6.4
91.04910	2.7
91.05487	71.7
93.07054	87.7
95.04983	19.2
95.08617	61.0
96.05334	2.1
97.02927	10.2
97.06541	82.5
97.10138	3.8
99.04453	3.2
99.08116	4.3
101.00845	1.7
103.05473	1.8
105.07045	39.7
105.07750	2.1
107.04947	12.1
107.08607	39.6
109.02915	6.3
109.06527	21.1
109.10168	25.7
111.04434	3.7
111.08077	6.8
113.06037	2.2
115.07585	31.3
117.07032	26.6
119.05004	2.5
119.08586	34.8
119.09451	2.5
121.06531	8.5
121.10157	25.5
123.04399	2.0
123.08093	7.0
123.11716	7.0
125.09619	5.0
127.03915	6.4
127.07574	2.5
128.06229	5.7
129.07050	9.9
131.08575	30.0
133.06548	6.8
133.10138	26.7
135.04518	1.8
135.08049	14.5
135.11687	15.8
136.14894	1.7
137.06000	2.1
137.09680	1.7
139.07533	1.8
141.06989	3.1
142.07776	2.3
143.08580	11.2
145.06485	2.3
145.10133	18.4
147.08066	7.0
147.11682	8.6
149.09637	8.9
149.13264	9.3
151.11200	3.5
155.08568	3.6
157.10139	6.6
159.08049	3.6
159.11694	17.1
161.09637	10.2
161.13307	5.5
163.11235	4.9
163.14848	2.7
165.09111	1.7
165.12924	2.0
167.08574	3.0
169.10121	5.1
171.11687	6.4
173.04480	7.1
173.09714	3.3
173.13292	9.6
175.11215	5.0
177.12761	6.1
183.11800	2.0
185.13280	4.1
187.11255	3.3
187.14828	4.3
189.12782	2.8
194.10971	1.7
195.13805	3.1
197.13345	2.5
199.14874	5.3
201.07657	4.3
203.27322	2.2
213.12793	1.7
217.15863	10.3
221.15298	2.3
227.12706	1.9
227.18024	2.6
233.15398	5.0
237.16447	2.7
241.10724	2.4
243.21075	4.8
245.19104	5.1
253.14378	4.3
255.17740	2.3
259.20547	3.2
261.22214	10.2
267.15881	9.5
269.17493	18.1
273.18524	39.1
275.20209	4.5
277.21707	2.9
281.10648	1.8
289.18100	2.2
291.19592	21.7
307.19083	4.0
317.24829	2.2
333.24265	3.3
335.25848	93.6
336.25970	2.6
347.22165	13.4
365.23251	14.6
489.35309	2.6
515.37860	4.5
527.37317	5.4
529.38977	24.4
545.38403	2.6
555.40344	2.4
557.38721	2.4
567.40820	3.0
583.39520	2.8
607.43585	7.9
625.44678	17.2
643.45105	5.6
841.52032	2.0
844.28284	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	842.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74065	1.9
61.26838	1.8
65.03944	3.9
65.41961	1.7
67.05512	99.8
69.03428	4.8
69.06759	2.6
69.07077	21.4
70.78884	2.5
70.79221	4.2
71.04990	5.3
77.06960	2.1
79.05504	61.7
81.03437	4.6
81.07069	94.7
83.04992	5.6
83.08630	12.7
85.02922	5.0
85.06533	2.5
86.09705	4.4
91.05489	50.2
93.07053	63.4
95.04977	9.0
95.08613	56.8
97.06534	9.1
97.10169	9.5
99.08102	2.5
105.04517	2.3
105.07040	42.5
107.04961	3.2
107.08603	43.1
109.06551	7.7
109.09460	3.0
109.10168	45.2
111.08066	4.7
117.07019	12.9
119.08590	24.0
121.10150	28.1
123.08117	3.5
123.11719	8.6
125.09653	7.1
129.07010	4.5
131.08582	20.1
133.10153	20.0
135.08084	4.6
135.11678	16.9
137.09610	2.9
140.55687	1.9
143.08585	4.2
145.10152	17.8
147.11630	10.9
149.09615	4.6
149.13295	11.2
157.10162	3.7
159.11716	9.9
161.13295	7.8
163.11230	3.9
163.14880	3.3
169.10114	2.6
171.11760	3.8
173.11856	3.8
173.13304	6.8
175.11292	2.4
175.14839	3.3
179.14453	2.0
183.11674	3.3
184.07373	8.4
185.13316	2.2
197.13254	4.7
199.14777	3.0
205.15878	3.9
217.15843	2.2
227.12766	8.8
229.14348	26.5
239.17932	2.4
245.13983	3.8
247.20587	2.5
257.19025	7.1
261.22217	12.3
267.15927	2.4
269.17542	16.2
269.19998	2.8
275.20059	24.9
293.21100	5.5
309.20673	9.7
317.24759	4.4
333.24338	3.5
335.25818	100.0
336.26065	3.9
337.27335	4.0
349.23730	21.0
367.24863	14.3
416.20480	2.2
453.01047	2.2
489.36041	15.5
490.05389	2.5
520.42328	2.3
529.38995	31.9
530.39813	2.2
569.41992	37.7
609.45325	28.1
627.46503	20.2
814.94958	2.6
843.48621	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	843.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	1.3
61.02928	5.0
63.70630	1.0
65.84922	0.9
67.05513	8.3
69.03436	3.6
69.07095	1.0
70.06599	1.7
71.04982	1.7
71.37077	2.5
73.02900	2.9
79.05506	2.9
81.03428	5.0
81.07077	5.2
83.08604	2.4
85.02908	6.2
91.03963	4.3
91.05502	3.1
93.07048	3.7
95.08607	1.5
97.02894	4.6
97.06551	1.7
101.02385	2.3
105.07035	2.1
107.08559	1.6
109.02846	0.9
109.10175	6.7
111.08047	1.2
116.41580	0.9
119.08597	3.0
121.10186	2.4
127.03897	1.4
129.07004	1.5
131.08606	1.6
133.10173	1.4
147.11708	1.6
148.95918	0.9
149.09579	1.3
156.93578	1.2
157.10161	1.4
173.11786	1.6
229.14409	1.6
243.08574	2.9
258.40308	1.0
258.43616	1.2
267.15909	1.5
283.15192	6.4
295.62122	1.0
301.08990	1.8
339.18039	1.3
381.19055	1.5
385.18402	3.0
410.33188	1.1
413.17801	15.6
427.19284	3.0
469.20175	1.4
483.21515	1.2
499.21292	1.5
501.23080	16.9
529.22504	2.6
573.25238	3.1
613.31781	1.6
673.34088	100.0
674.33966	4.5
682.44708	1.3
701.36786	4.6
727.69409	1.2
729.36047	1.7
843.43561	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	843.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	5.6
67.05511	5.6
69.03431	3.7
69.07069	1.8
70.12796	1.2
70.13179	1.3
71.01357	0.6
71.04999	1.0
73.02932	3.8
79.05493	4.2
81.03424	2.1
81.07065	4.9
83.05005	0.9
83.08648	0.7
85.02921	5.2
91.03947	3.6
91.05460	3.1
93.07050	5.2
95.04967	1.1
95.08601	3.7
97.02891	5.0
97.06545	0.7
99.04502	0.8
99.46680	0.5
101.02383	1.7
105.07039	2.0
107.04982	1.0
107.08617	1.7
109.10191	1.7
111.08111	0.6
119.08610	1.5
121.10171	1.6
127.03961	1.2
129.07043	0.6
131.08585	0.8
133.10164	1.1
135.11717	0.9
145.10101	0.7
147.11739	0.9
159.11726	0.5
184.41568	0.5
185.04282	1.2
243.08487	2.3
261.14664	0.8
276.07947	0.5
285.99625	0.6
286.03647	0.5
289.01999	0.5
347.18414	3.7
366.20810	0.7
441.17383	0.6
479.22430	2.6
519.29346	5.1
565.26086	3.6
674.49335	0.6
691.40149	1.0
719.39874	0.7
757.45117	3.7
840.04059	0.6
843.48553	100.0
844.48798	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	845.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	5.6
67.05515	6.9
67.87302	0.5
69.03432	4.0
69.07072	2.9
71.01363	0.9
71.05001	1.3
73.02924	5.4
75.57511	0.4
79.05499	5.4
81.03428	1.7
81.07063	6.7
83.08638	1.2
85.02916	6.8
85.03384	0.7
86.09731	0.7
87.04483	0.7
87.09254	0.6
91.03959	3.7
91.05483	3.8
93.07050	4.9
95.04993	1.2
95.08619	4.7
97.02899	6.6
97.06552	1.5
98.20692	0.7
99.04501	0.7
101.02406	2.4
103.04008	0.5
105.07043	2.5
107.04979	0.6
107.08642	2.8
109.02913	0.8
109.06554	0.6
109.10157	2.5
111.08072	0.7
117.07060	0.6
119.08611	1.8
121.10191	2.0
127.03957	2.4
131.08615	1.7
133.10210	1.3
135.11699	1.8
137.05835	0.7
145.10127	1.0
147.11725	0.6
159.11710	0.9
159.76413	0.4
169.90211	0.5
184.07373	2.5
185.04323	0.8
190.56807	0.5
243.08447	2.8
335.25836	0.6
337.27502	0.8
349.19864	10.6
349.23843	0.7
439.19724	0.7
479.22949	1.0
519.29419	5.9
567.28131	3.1
611.07153	0.5
717.41943	0.7
757.45178	0.9
845.50275	100.0
846.50824	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	845.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.5
67.05516	6.5
69.03445	3.0
69.07085	1.9
69.23820	0.8
69.24226	2.6
71.01373	0.6
71.05002	1.0
73.02918	3.7
73.37766	0.3
79.05502	3.9
81.03425	2.9
81.07068	5.7
83.05009	0.9
83.08628	0.4
85.02923	4.9
85.06580	0.4
86.09718	0.4
87.09190	0.4
91.03968	3.1
91.05486	2.9
92.59138	0.4
93.07059	4.6
95.04986	1.5
95.08617	4.3
97.02911	4.9
97.06550	2.4
97.10165	0.5
98.32697	0.3
99.04482	0.7
101.02390	2.0
103.03944	0.4
105.07071	2.0
107.08599	2.6
109.02884	0.8
109.10183	2.3
111.04495	0.4
111.52121	0.4
117.07053	0.9
119.08600	1.4
121.10184	1.8
123.11704	0.4
127.03950	1.2
131.08618	0.8
133.10197	1.4
135.11722	1.4
137.05847	0.5
138.29230	0.4
147.11711	0.5
159.11803	0.6
163.11180	0.4
184.07402	1.4
185.04292	1.0
229.14467	0.6
241.06978	0.5
243.08430	1.7
296.53149	0.4
335.25854	0.6
337.27545	0.9
338.27713	0.6
349.19891	5.8
349.23849	0.5
405.22495	0.8
439.19742	1.0
453.21393	0.6
519.29449	4.9
567.27838	5.2
589.25830	0.4
845.50269	100.0
846.50409	6.9
849.79968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.7
67.05509	5.7
69.03434	3.0
69.07062	1.6
69.11449	0.6
71.54640	0.8
71.55048	0.6
73.02917	2.6
79.05499	4.9
80.73035	0.6
81.03441	2.3
81.07053	5.3
83.04958	0.8
83.08631	1.2
85.02915	4.6
91.03959	3.1
91.05490	2.5
93.07062	4.8
95.04989	0.9
95.08624	4.3
97.02886	3.8
99.04457	1.2
101.02374	1.1
102.05618	0.7
103.03954	0.9
105.07045	1.8
107.08602	2.0
109.02899	0.8
109.10201	2.3
117.07011	1.1
119.08652	1.8
121.10165	1.6
121.19791	0.6
127.03947	1.4
129.07056	0.7
131.08603	0.9
132.71852	0.6
133.10152	0.8
142.77505	0.6
147.11765	0.8
235.94101	0.7
243.08553	1.9
280.47217	0.7
301.09448	0.7
335.25922	0.7
341.41434	0.6
351.21487	3.7
376.91049	0.8
393.90408	0.7
407.24283	0.7
448.25916	0.7
519.29224	5.8
531.36694	1.5
569.29425	4.8
645.98871	0.7
780.23425	0.9
842.02905	0.7
847.51770	100.0
848.51532	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	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.3
61.02932	12.0
65.03954	2.9
67.05510	100.0
68.05851	0.8
69.03433	2.5
69.07077	8.5
70.99113	1.4
71.04997	3.1
71.08629	0.6
71.94480	0.6
73.02930	3.3
79.05499	25.8
81.03454	1.3
81.07064	42.8
81.41237	0.6
82.00645	0.7
83.04989	1.2
83.08620	7.9
85.02915	13.7
85.06565	2.9
87.04464	0.7
91.03960	8.7
91.05486	15.7
93.07052	29.2
95.04970	1.8
95.08615	28.8
96.04475	0.7
97.02906	8.1
97.06542	2.5
97.10175	2.2
99.08077	1.1
103.03931	0.8
105.04520	0.7
105.07047	7.2
107.08603	15.4
109.06519	1.2
109.10167	78.4
110.10494	1.2
111.08070	3.0
113.09663	0.9
117.07011	3.3
119.08584	12.8
121.10155	12.8
123.08131	0.8
123.11730	4.1
125.09631	1.6
127.03908	3.6
131.08571	5.6
133.10143	6.5
133.18816	0.6
135.11691	8.2
137.09627	3.5
137.13252	1.5
145.04958	4.2
145.10146	5.7
147.11694	4.8
149.13307	5.7
155.10686	8.2
159.11726	4.4
160.78564	0.6
161.13281	2.8
163.05997	4.8
163.14885	3.5
170.02864	0.6
173.11749	16.3
173.13307	4.1
175.14894	1.1
177.16467	0.7
187.14824	2.2
189.11311	0.9
227.12801	5.2
229.14368	87.8
230.14642	1.6
233.22676	0.8
243.21083	6.2
261.22171	20.9
317.24713	3.8
335.25824	73.5
336.26105	2.9
342.45868	0.6
379.29901	1.3
393.97629	0.6
397.31107	1.9
415.32040	1.0
449.33008	0.7
471.34512	1.4
489.35806	71.8
490.36227	3.3
507.36951	6.3
662.51013	0.7
836.79407	0.7
848.47363	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	848.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.3
61.02931	10.8
62.92951	0.6
65.03944	2.0
67.05509	94.2
69.03430	2.3
69.07073	7.0
69.27798	5.4
71.04998	3.2
73.02924	3.7
79.05499	19.4
81.03419	1.2
81.07062	37.3
83.04984	1.7
83.08625	7.8
85.02911	13.4
85.06552	2.2
91.03964	8.8
91.05482	13.1
91.86970	0.6
93.07049	23.6
93.07635	1.2
95.04977	2.5
95.08613	25.7
95.41897	0.5
96.04519	0.6
97.02885	6.4
97.06544	1.6
97.10170	2.0
98.20689	1.3
99.04463	0.7
99.08077	0.6
105.04515	0.7
105.07040	8.2
107.07877	0.7
107.08604	13.6
109.10163	79.5
110.10494	1.0
111.08112	4.4
117.07006	2.9
119.08587	10.2
121.10152	11.7
123.08068	0.9
123.11711	3.8
125.09672	1.1
127.03911	3.0
131.08568	5.3
133.10127	5.0
135.11697	7.8
137.09619	3.6
137.13231	1.1
140.65343	0.5
145.04959	5.0
145.10120	4.8
147.11699	3.8
149.13293	4.0
155.10678	6.4
157.48399	0.6
159.11699	3.8
161.13185	2.9
163.05995	4.5
163.14816	2.5
171.11644	0.7
173.11787	17.8
173.13295	3.5
175.14783	1.0
177.16399	0.8
184.07521	0.6
187.14799	2.2
189.11214	1.4
198.65596	0.6
201.16455	0.6
227.12762	6.1
229.14363	100.0
230.14751	1.8
233.22490	0.9
243.21046	5.7
245.10901	0.6
261.22159	17.1
262.22452	0.8
280.09933	0.6
317.24716	3.4
335.25824	63.5
336.26086	2.4
379.29971	1.6
397.30963	1.8
409.67020	0.6
415.32138	1.5
433.33347	0.6
471.34564	2.0
489.35806	45.7
490.35806	2.3
507.36761	5.5
848.47894	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	850.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	2.1
60.50570	1.1
60.53922	0.9
61.02930	11.2
65.03943	2.7
67.05513	96.4
69.03432	2.3
69.07076	14.9
71.04991	2.5
71.56006	1.8
73.02915	3.6
73.63768	1.0
77.80334	1.1
79.05496	9.9
80.05782	1.3
81.03419	2.1
81.07065	38.6
83.08630	11.4
85.02910	13.0
85.06546	2.8
91.03972	8.7
91.05497	10.7
92.79398	1.2
93.07047	12.8
95.04971	1.2
95.08614	30.1
97.02882	6.0
97.06558	2.2
97.10184	3.6
99.08150	1.4
105.07068	5.4
107.08604	6.5
109.10167	75.4
111.08077	3.7
119.08595	8.5
121.10136	4.9
123.11715	4.4
124.54623	1.3
125.09653	1.2
127.03907	3.0
127.11205	1.0
133.10127	2.9
135.11729	2.0
137.09625	4.6
137.13246	3.0
145.05017	3.3
147.11696	2.9
149.13336	1.7
155.10675	4.2
163.06027	2.7
173.11757	19.8
175.14908	1.3
184.07330	1.5
204.55824	1.1
212.21970	1.1
227.12746	2.1
229.14378	100.0
230.14851	1.2
245.22751	3.2
263.23755	5.1
319.26523	1.0
337.27402	78.3
338.27872	2.2
367.49258	1.3
376.48816	1.2
435.74100	1.2
437.57919	1.2
491.37378	97.7
492.37717	4.5
509.38135	2.3
602.39838	1.2
850.48816	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	850.517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.9
61.02931	9.6
65.03934	2.5
67.05511	87.3
69.03432	2.0
69.07076	14.4
70.19935	1.1
71.05023	2.5
71.54746	1.7
71.55096	1.4
73.02913	3.9
74.21923	1.2
79.05495	8.9
81.07063	38.2
83.08624	12.9
85.02918	14.8
85.06517	2.8
90.20947	1.2
91.03971	7.6
91.05482	11.7
93.07043	13.4
95.04953	1.5
95.08610	30.0
97.02886	5.6
97.06519	2.0
97.10171	5.0
99.04458	1.6
105.07056	5.9
107.08598	8.2
109.10164	74.4
111.08076	3.4
119.08594	7.9
121.10200	7.2
123.11706	5.3
125.09678	1.4
127.03977	2.4
131.08504	1.4
133.10129	3.6
135.11725	2.1
137.09621	3.9
137.13191	1.2
145.05025	3.0
147.11687	1.3
149.13304	2.2
155.10667	4.7
161.13226	2.1
163.06044	2.9
173.11752	16.4
175.14830	1.5
229.14371	95.2
230.14751	2.0
237.68315	1.3
245.22687	4.3
263.23746	6.1
337.27383	76.1
338.27679	3.7
491.37357	100.0
492.37595	4.7
509.38458	1.9
521.29913	1.3
655.06519	1.5
850.49060	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	852.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	8.1
65.03932	1.3
67.05174	1.2
67.05512	16.9
69.03439	4.3
69.07076	5.4
70.06573	0.7
71.01348	1.2
71.05009	4.5
73.02901	2.7
74.67872	0.7
79.05061	1.5
79.05499	20.7
81.03425	37.9
81.07062	18.6
82.14471	0.7
83.01350	4.8
83.04985	11.0
83.08635	16.5
85.02431	1.4
85.02913	22.1
85.06537	1.9
91.03968	5.0
91.05486	21.1
93.06467	1.6
93.07052	19.4
95.04974	16.9
95.08615	8.8
97.02909	7.3
97.05988	0.8
97.06531	4.8
97.10172	2.4
98.21512	1.3
99.04442	2.2
99.08095	0.7
103.05454	1.3
105.07047	16.6
107.04942	7.0
107.08604	8.6
109.06534	6.5
109.10198	2.3
111.04436	2.3
111.08083	5.4
113.05999	1.1
114.83842	0.8
115.03838	0.9
115.05402	1.2
117.07029	4.9
119.04978	1.1
119.07798	0.9
119.08596	13.7
121.06505	2.8
121.10162	7.8
123.08093	5.8
123.11676	0.9
125.09625	2.3
127.03911	2.9
129.07040	5.8
129.07945	1.0
130.07799	0.7
131.08578	8.1
133.06512	2.3
133.10133	5.9
135.08069	1.4
135.11716	5.1
137.09595	1.8
142.07773	1.2
145.04974	1.8
145.10139	9.7
147.08099	3.5
147.11691	7.4
149.09660	2.9
153.12788	1.7
157.10156	8.8
163.03873	0.9
163.06006	1.5
163.11179	12.3
165.12775	2.5
173.09654	2.1
175.11240	7.8
177.05530	0.9
181.12201	1.6
191.10686	1.3
193.12260	19.9
194.12549	1.1
209.11827	3.3
211.13315	33.8
227.12802	2.1
246.61755	0.8
249.07916	0.7
265.14389	1.0
267.09122	3.3
267.15952	8.0
268.16592	0.7
283.15433	34.3
284.15598	0.9
285.10361	4.6
285.16983	26.8
286.17297	1.2
324.11377	1.7
357.84909	0.8
383.11148	1.2
383.22330	2.1
401.23499	0.9
437.12094	9.0
437.17734	1.9
437.67752	2.2
438.12448	9.3
438.17987	1.1
449.92734	0.7
457.25955	4.1
475.26962	17.1
476.27573	0.9
493.28003	100.0
494.28366	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	853.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86771	0.3
61.02931	8.6
61.36136	0.3
65.77068	0.3
67.05171	0.5
67.05512	7.5
69.03436	5.4
69.07076	1.2
69.89137	1.4
71.01366	0.9
71.04994	0.7
73.02928	5.6
79.05497	2.8
81.03428	2.5
81.07070	3.7
83.04986	0.5
83.08635	0.7
84.89131	0.3
85.02914	8.4
87.04487	0.7
91.03964	5.3
91.05480	2.3
93.07066	3.3
95.04990	0.5
95.08614	3.3
97.02904	8.7
97.10139	0.4
99.04459	1.6
101.02392	2.6
103.03963	0.3
105.07049	1.3
107.08601	1.8
109.02892	1.9
109.10170	4.4
111.08102	0.3
115.03985	0.7
117.07045	0.6
119.08585	1.6
119.94968	0.4
121.10155	1.1
123.11702	0.3
127.03950	2.2
129.05449	0.3
131.08598	0.6
131.68120	0.3
133.10132	0.9
135.11726	0.8
145.05025	0.6
145.10167	0.7
147.11742	0.5
149.13319	0.4
155.10745	0.5
167.66122	0.3
173.11772	1.1
185.04305	1.2
195.10019	0.8
201.03806	0.5
203.05354	0.9
229.14465	0.6
235.93788	0.3
243.08401	2.6
251.12706	0.5
335.25897	1.1
347.09445	2.4
365.10281	1.4
405.13739	7.0
413.12732	0.2
413.17865	6.2
413.23029	0.4
519.29321	7.0
575.23285	4.8
681.34631	7.7
681.46399	0.5
682.34955	0.5
691.40442	1.8
853.45593	100.0
854.45941	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	853.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.2
65.03944	0.3
67.05166	0.6
67.05512	7.9
69.03435	4.6
69.07074	1.0
70.06573	0.4
71.01350	0.6
71.04991	0.6
71.25095	0.7
73.02929	5.6
75.60606	0.4
79.05499	2.6
81.03421	2.7
81.07062	3.7
83.04988	0.6
83.08639	0.8
85.02910	7.8
85.06539	0.4
87.04510	0.4
91.03970	4.4
91.05490	1.5
93.07058	2.5
95.08602	2.2
97.02900	6.9
97.06552	0.4
99.04469	1.2
101.02397	2.7
103.03960	0.7
105.07061	0.8
107.08608	1.5
109.02909	1.3
109.10159	6.0
110.10453	0.5
115.03934	0.4
117.07066	0.6
119.08585	1.0
121.10170	1.1
127.03940	1.9
133.10109	0.6
135.11685	0.4
145.10240	0.4
149.13306	0.5
149.46170	0.4
173.11790	2.0
182.26096	0.3
185.04243	0.7
195.09975	0.8
201.03833	0.4
203.05260	0.7
229.14467	1.4
243.08379	2.2
259.07803	0.5
335.25778	0.8
347.09537	2.5
363.09100	0.5
365.10724	0.7
405.13693	6.9
413.12357	0.6
413.17850	10.6
413.23026	0.5
519.29346	5.2
575.23187	9.9
627.46356	0.4
681.34595	4.2
691.40173	2.2
853.45581	100.0
854.45819	7.2
854.60907	0.7
880.20667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	9.2
65.03925	1.4
66.36751	0.5
67.05516	24.7
67.11571	0.6
67.75780	0.6
68.54935	0.6
69.03442	5.5
69.07069	7.9
69.43588	3.7
71.01359	0.7
71.05006	5.2
73.02898	2.8
79.05506	26.1
81.03428	82.5
81.06594	0.7
81.07069	29.2
83.04994	18.7
83.08633	28.2
85.02918	38.3
85.06520	2.1
87.04465	0.8
91.03984	6.5
91.05492	36.1
93.07059	18.8
95.04982	32.1
95.08619	9.2
96.34554	0.6
97.02377	0.8
97.02911	9.2
97.06542	5.7
97.10182	4.2
98.97551	0.7
99.04440	1.7
99.08067	1.4
103.05468	1.0
105.07042	25.2
107.04966	7.8
107.08607	8.6
109.02850	1.2
109.06525	5.8
109.10181	3.6
111.04472	3.7
111.08096	11.4
113.06062	3.1
113.09053	0.7
115.05430	1.4
117.06986	2.4
119.04931	1.1
119.08599	22.3
121.06504	1.9
121.10158	9.8
123.08064	3.6
123.11679	1.7
125.09613	2.6
127.03905	2.7
127.11444	0.7
128.06218	1.1
129.07022	12.9
131.08589	13.3
133.06555	3.5
133.10146	14.0
133.19225	0.7
135.08051	0.9
137.09605	2.6
142.07794	4.5
145.04936	2.7
145.06381	0.5
145.10104	2.1
147.08084	4.2
147.11716	18.2
149.09647	8.2
155.08530	0.8
157.10144	20.0
159.11833	0.9
163.03976	1.2
163.06018	2.4
163.11214	1.3
165.12801	4.2
175.11206	17.9
193.12273	59.3
194.12569	1.0
211.13321	96.2
212.13699	1.0
220.70062	0.6
229.14401	1.0
249.14977	1.8
267.15955	44.9
268.16318	1.2
285.16998	85.6
286.17310	1.9
349.21848	1.1
367.22540	3.7
373.69229	0.7
384.75705	0.6
385.23718	5.7
403.25067	2.0
405.24225	0.7
433.25800	2.1
441.26620	1.6
459.27469	35.5
460.28244	1.1
477.28580	36.2
478.28961	1.0
495.29608	100.0
496.29608	3.9
639.33899	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.6
65.03932	2.9
67.05509	100.0
67.87569	0.9
68.05827	1.2
69.03429	3.3
69.07072	18.1
69.51266	7.2
70.66517	0.9
71.01357	1.1
71.04974	4.5
73.02897	2.8
79.05499	43.9
81.03421	8.7
81.07061	64.1
83.05004	5.8
83.08623	13.7
85.02910	14.3
85.06535	4.0
87.04474	5.6
91.05490	25.6
93.07050	39.7
95.04966	5.5
95.08611	40.6
95.09136	0.7
95.09236	1.3
97.02884	5.0
97.06552	5.1
97.10178	17.0
99.04443	1.1
99.08077	1.3
102.95964	1.0
103.03970	1.1
105.07034	15.4
107.04954	2.7
107.08606	24.8
109.06506	3.0
109.10164	59.5
111.04475	1.5
111.08088	3.9
116.04777	0.9
117.07013	7.9
119.08585	14.9
119.64662	0.9
121.06550	1.6
121.10143	20.3
123.08053	1.8
123.11718	5.3
125.09637	15.8
129.05476	1.5
129.06949	1.5
130.07793	0.9
131.08585	10.6
133.06577	1.0
133.10133	9.7
135.08058	2.7
135.11699	12.9
137.09608	4.2
139.11197	1.6
139.43121	1.0
143.10692	3.3
145.10132	9.6
147.08055	1.6
147.11664	4.9
149.09590	1.0
149.13240	5.6
153.12715	3.9
155.10667	4.8
157.10176	1.4
159.11732	5.4
161.13289	3.1
163.11226	8.1
163.14804	2.8
173.09567	1.5
173.11728	14.7
173.13261	4.8
175.14796	2.3
177.16370	1.7
181.12248	2.3
183.11720	1.2
187.14798	3.3
189.11215	1.7
191.10645	1.6
193.12302	1.9
199.13342	7.6
209.11769	5.8
209.13354	1.1
211.02451	1.0
211.13249	1.0
227.12799	8.4
229.14374	57.2
243.21007	4.6
259.20590	1.8
261.22174	16.0
267.15884	4.9
283.15347	2.3
301.16467	13.9
317.24680	2.9
335.25821	84.0
336.26114	3.1
399.23853	14.7
459.34543	1.7
477.35416	6.8
489.35815	18.5
536.36615	1.1
543.37262	1.6
561.37756	6.9
579.38531	2.7
659.45123	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	856.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.8
65.03933	4.3
67.05513	100.0
69.03424	3.6
69.06731	1.1
69.07076	17.7
71.01354	1.8
71.04989	4.1
71.28917	2.2
73.02921	1.8
74.06076	1.1
77.03889	1.1
79.05502	45.6
81.03419	7.0
81.07065	58.4
82.07390	1.2
83.05002	7.0
83.08639	13.5
84.90598	1.0
85.02911	10.6
85.06549	3.1
85.36857	1.0
87.04469	3.4
91.03971	1.8
91.05489	27.7
93.07053	42.4
95.04974	6.2
95.08616	40.3
95.09103	0.8
95.09232	1.5
97.02913	3.9
97.06527	4.7
97.10172	14.0
99.04429	1.3
99.08090	2.2
105.04572	1.2
105.07044	14.9
107.04966	1.8
107.08609	22.8
109.06525	3.5
109.10169	59.9
111.04435	1.1
111.08068	4.0
117.07011	7.8
119.08593	15.7
121.06522	1.1
121.10154	18.7
123.08064	2.3
123.11693	3.5
125.09644	16.0
127.03936	1.2
131.08562	8.4
133.10158	10.6
135.11702	13.6
137.09598	3.6
137.13275	1.8
143.10678	1.9
143.97639	1.1
145.10129	10.3
147.11714	6.5
149.13347	5.1
153.12755	3.4
155.10680	4.2
156.01317	1.1
157.10258	1.3
159.11716	4.8
161.13246	2.7
163.11185	7.0
163.14821	2.8
173.11743	16.1
173.13271	6.6
175.11327	1.4
175.14825	2.5
181.12238	2.2
187.14822	3.2
191.10699	1.7
191.14323	1.2
193.12271	2.9
197.13400	1.4
199.13278	6.4
205.16006	1.2
209.11758	5.0
217.14420	1.2
227.12772	4.1
229.14380	45.4
233.22707	1.9
243.21040	6.0
257.13864	2.6
259.20694	1.2
261.22189	16.2
267.16019	2.1
283.15369	2.1
301.16510	11.2
317.24835	2.6
335.25833	82.3
336.26105	2.9
363.25449	1.4
399.23962	7.5
445.55536	1.1
477.35498	7.1
489.35889	23.3
561.37823	5.5
579.38965	3.4
659.44989	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	856.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.0
66.54240	2.5
67.05512	100.0
69.03426	8.0
69.07078	24.6
71.04993	9.6
71.08599	2.6
71.56133	3.5
79.05500	65.0
81.03413	13.0
81.07066	90.2
83.04975	10.5
83.08624	13.1
85.02889	7.1
85.06526	4.0
91.05492	57.0
93.06468	4.4
93.07046	69.7
95.04964	10.5
95.08620	56.1
97.02882	4.1
97.06540	10.0
97.10169	5.5
99.08057	2.7
105.07045	28.3
107.04941	4.9
107.08601	41.8
109.06521	6.8
109.10168	31.8
111.08096	3.7
117.07009	14.5
119.08579	29.1
120.73478	2.4
121.06480	5.9
121.10157	30.7
123.08072	4.2
123.11710	6.0
124.21259	2.8
125.09614	5.6
126.54437	2.7
129.05502	3.1
129.06993	7.1
131.08568	24.2
133.10149	24.6
135.08037	4.6
135.11691	14.2
137.09627	3.5
143.08537	7.6
145.06508	3.2
145.10136	20.8
147.11716	9.5
149.09673	5.9
149.13268	8.8
155.08614	2.6
157.10106	7.0
159.11691	12.2
161.13284	6.6
163.11176	4.8
165.12825	4.0
169.10086	4.5
171.11728	3.4
173.11819	4.5
173.13255	7.4
175.14816	3.6
177.12749	2.5
183.11642	4.5
183.61389	2.9
187.14876	4.6
193.10184	2.6
199.14879	5.0
219.17407	3.4
227.12822	3.8
229.14398	16.1
257.19034	3.9
261.22192	11.8
267.16098	4.1
269.17548	6.8
274.38138	2.8
275.20071	17.7
293.21054	6.0
317.24963	4.5
335.25833	77.0
349.23740	19.5
381.26529	2.5
413.21884	5.8
415.15933	2.8
474.16217	2.6
489.36090	13.4
511.37061	2.9
529.31445	4.3
529.38989	58.7
561.37848	4.6
569.42065	50.7
570.41937	2.9
609.45007	30.3
641.47314	7.2
713.45422	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	858.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95530	0.9
61.02917	3.7
65.03936	3.7
67.05510	100.0
69.03417	2.6
69.07077	16.9
69.21999	2.8
69.22421	7.1
71.01331	1.5
71.04990	4.0
71.08629	1.8
73.02917	3.1
75.10378	0.9
78.37642	0.9
79.05499	42.7
81.03430	6.7
81.07063	56.6
83.01324	1.1
83.04981	5.8
83.08624	14.0
85.02907	10.6
85.06535	1.9
85.10139	1.0
87.04472	4.8
91.03976	1.1
91.05491	23.7
93.07052	44.0
95.04987	6.3
95.08614	42.8
96.52711	1.0
97.02888	4.3
97.06528	4.6
97.10178	12.5
99.08084	2.3
103.03963	1.3
105.04524	1.2
105.07043	15.8
107.04953	2.9
107.08602	26.1
109.06478	1.2
109.10166	53.3
109.10920	2.5
110.10507	0.9
111.08082	3.7
114.17574	1.2
115.25169	0.8
117.07012	6.0
118.14263	1.0
119.08602	13.6
121.06542	1.4
121.10143	18.5
123.08083	1.9
123.11707	3.7
125.09634	12.6
129.05441	1.2
129.06990	1.4
131.08578	9.6
133.10141	7.2
135.08089	1.3
135.11693	13.7
137.09656	1.7
139.11163	1.2
143.08614	1.3
143.10666	2.2
145.10139	10.0
147.08032	1.2
147.11678	4.1
149.13266	6.5
153.12769	3.7
155.10638	3.6
159.11696	4.4
161.13255	4.1
163.11201	7.3
163.14813	3.5
167.10748	1.0
171.11752	1.2
173.11732	14.0
173.13245	3.2
181.12198	2.7
185.13295	1.2
187.14825	2.9
191.10706	2.3
199.13324	4.9
209.11710	4.5
227.12787	3.6
229.12079	2.1
229.14375	37.5
243.21109	3.8
261.22186	13.1
283.15338	2.3
301.16504	10.6
317.24640	2.2
335.25824	75.5
336.26050	2.2
401.25296	7.2
420.52130	1.0
459.34241	1.1
477.35922	7.3
487.64792	1.2
489.35840	18.7
561.38153	7.1
579.38422	2.5
661.46918	14.0
772.58838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.0
65.03975	3.3
67.05511	100.0
69.03439	3.7
69.07079	23.5
69.22072	16.6
71.05013	2.4
73.02926	4.3
73.33808	2.0
75.41217	1.7
76.03910	1.7
79.05497	29.9
81.03422	9.4
81.07064	58.5
83.04989	6.5
83.08625	20.8
85.02884	8.9
85.06547	2.3
87.04476	4.7
91.05499	19.8
93.07049	22.5
95.04995	4.4
95.07673	2.0
95.08619	39.8
95.09233	2.4
97.02898	6.7
97.06551	6.6
97.10173	15.4
105.07039	9.7
107.04967	3.8
107.08605	16.3
109.06606	1.9
109.10164	53.4
111.04478	3.3
111.08074	2.9
117.07049	3.9
119.08584	10.7
121.10144	12.4
123.11739	3.1
125.09623	13.1
129.05513	1.8
131.08591	5.8
133.10139	6.5
135.11700	7.9
139.11243	3.0
145.10138	5.0
147.11703	4.1
149.13277	3.9
153.12750	3.5
155.10631	3.7
157.10063	1.7
159.11743	1.7
161.13283	2.2
163.11197	5.2
163.14864	3.1
173.11780	16.4
173.13174	3.2
181.12251	2.2
184.07446	1.7
187.14796	1.9
191.10651	3.9
193.12334	1.7
199.13306	6.1
209.11804	4.8
227.12822	7.4
229.14391	45.5
245.22629	3.6
263.23645	3.3
267.15964	3.5
283.15417	1.8
301.16510	14.9
317.24774	1.9
335.25891	11.6
337.27380	67.2
338.27682	2.8
372.08731	2.0
399.23749	9.8
419.22784	2.1
461.36548	2.1
479.37473	3.9
489.35910	2.3
491.37256	19.1
545.38464	3.2
563.39154	4.0
661.46967	16.1
687.94342	1.8
720.08154	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	859.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02650	0.6
61.02933	6.5
65.03951	0.6
67.05511	2.6
68.49364	0.6
69.03434	5.4
69.07088	0.6
71.01352	0.7
71.05000	1.2
71.55145	0.8
73.02921	4.9
77.69969	0.5
79.05491	3.1
81.03421	6.3
81.07058	2.3
83.04995	1.3
83.08624	1.7
85.02914	10.3
91.03954	3.9
91.05473	4.9
92.05867	0.6
93.07018	2.6
95.04976	3.0
95.08614	1.6
97.02892	7.6
97.06553	1.2
99.04464	2.1
101.02412	2.3
103.03936	0.9
105.07016	2.8
107.04979	1.3
107.08602	1.2
109.02891	1.9
109.10156	0.7
111.08119	0.9
115.03912	0.8
119.04881	0.7
119.08612	2.1
121.10104	1.0
127.03922	3.6
129.07056	1.5
131.08580	1.9
133.10197	1.5
138.56546	0.5
145.04997	1.5
147.04332	0.6
147.11755	2.4
149.09651	1.1
157.10184	1.8
163.03943	3.0
175.11238	1.6
185.04292	0.7
187.06012	0.6
189.11504	0.6
191.60962	0.6
193.12276	3.2
203.05376	0.9
211.13322	1.3
243.08495	2.4
251.12720	1.3
256.44379	0.5
258.05322	0.8
259.09875	0.8
267.09103	1.1
269.12424	0.7
285.10226	1.4
286.04700	3.8
301.07077	10.5
307.15247	0.9
347.09561	3.2
365.10712	1.7
405.13699	5.3
438.68546	0.6
469.20462	15.3
470.21158	0.9
631.25732	13.0
631.35742	0.9
697.33875	2.6
859.39331	100.0
860.39319	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	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.9
64.13034	0.4
65.03938	0.6
67.05510	7.0
69.03430	3.4
69.07088	1.0
70.21060	1.7
71.05008	0.6
73.02918	4.1
79.05495	2.9
81.03424	1.5
81.07062	5.3
83.08616	0.6
85.02907	6.4
87.04478	0.6
87.98347	0.4
89.06037	1.1
91.03959	4.3
91.05480	2.2
91.80817	0.4
93.07063	3.3
95.08601	3.5
97.02908	4.3
98.20856	0.5
99.04471	1.1
99.61526	0.4
101.02393	1.8
104.57529	0.4
105.07052	1.4
107.08615	1.5
109.02898	1.4
109.03569	0.5
109.06529	0.4
109.10152	4.6
115.03952	0.5
119.08637	1.1
121.10180	1.5
123.11661	0.5
127.03952	1.4
129.05533	0.4
131.08524	0.5
133.10176	0.6
135.11699	0.9
145.04997	0.9
145.10123	0.8
147.11732	0.6
149.13312	0.7
159.11760	0.4
173.11754	0.7
181.04634	0.5
185.04250	1.5
195.09883	0.9
203.05339	0.7
229.14413	0.8
243.08376	2.2
301.09015	2.3
303.96704	0.4
315.10715	0.5
335.25995	1.2
371.16861	0.5
373.11191	1.4
376.43561	0.4
385.18301	1.4
413.17865	4.7
469.20456	1.0
509.22891	0.6
519.29327	10.2
529.35040	0.5
553.29694	0.5
578.30566	2.9
591.31342	1.3
633.36053	0.8
647.38318	0.8
662.40210	1.2
691.40302	100.0
692.40717	4.8
717.41754	0.8
719.43561	1.9
747.42810	3.1
861.49921	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	861.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53222	0.5
60.88686	0.5
61.02932	4.2
67.05512	5.5
69.03439	2.6
69.07084	1.7
69.24446	4.4
71.01405	0.5
71.05021	1.4
72.82230	0.4
72.87289	0.5
73.02917	4.0
79.05499	3.9
81.03445	2.0
81.07069	5.0
85.02913	4.5
87.04476	0.6
91.03973	3.1
91.05508	2.0
93.07056	4.2
95.08618	2.9
97.02905	4.4
99.04476	0.9
101.02436	1.8
103.03971	0.4
105.07050	1.6
107.08609	2.6
108.78706	0.5
109.02892	0.8
109.10207	1.5
115.03974	0.4
117.07064	0.6
119.08649	0.9
121.10220	1.5
127.03970	1.6
131.08603	0.9
133.10185	0.6
135.11752	0.9
135.86472	0.5
141.12263	0.5
145.10185	0.7
152.54861	0.5
185.04269	1.0
205.29079	0.4
243.08429	2.2
314.21582	0.5
365.23114	4.4
519.29474	5.7
583.31024	4.9
691.40552	1.2
763.44867	0.5
775.97998	0.6
861.53394	100.0
862.53998	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	873.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.2
61.32808	0.1
63.02382	0.3
65.03968	0.2
65.08129	0.1
67.05173	0.2
67.05509	2.3
69.03429	1.5
69.07076	2.6
70.06593	0.4
70.35048	0.2
70.38941	0.1
71.04987	0.6
71.55337	0.1
77.03944	0.2
79.05499	2.9
81.03429	2.5
81.07066	6.9
83.04979	0.7
83.08227	0.1
83.08640	1.2
85.02918	1.1
85.06535	0.3
89.03928	5.7
91.05487	2.1
93.07053	3.5
95.04977	2.8
95.08619	4.6
97.02888	0.5
97.06544	1.5
97.10194	1.3
98.97583	0.2
99.04491	0.3
99.08102	0.2
103.05487	0.2
105.04534	0.3
105.07046	2.8
107.04962	2.0
107.08603	3.5
109.02858	0.8
109.06544	0.9
109.10165	2.6
110.21355	0.1
111.04439	0.4
111.08092	0.9
111.11723	0.3
113.06018	0.2
115.05451	0.2
117.03393	6.9
117.07042	0.6
119.08595	3.2
121.02882	0.4
121.06508	0.4
121.10148	3.0
123.04413	0.2
123.08086	0.5
123.11720	1.2
125.09641	0.6
127.03909	0.9
129.07030	0.3
131.08589	0.9
133.06519	0.2
133.10150	2.1
135.04433	15.2
135.08044	0.7
135.11717	1.8
137.09630	0.5
137.13274	0.5
139.03934	0.3
139.11179	0.6
143.08556	0.3
145.02859	11.3
145.10139	1.9
147.04436	0.3
147.08043	0.2
147.11696	2.5
149.09621	0.6
149.13274	0.6
151.11177	0.3
153.12772	0.5
155.14272	0.2
157.10165	0.4
159.11707	1.7
161.09642	0.3
161.13292	1.0
163.03920	100.0
163.11121	0.9
163.14848	0.4
164.04257	0.9
165.12802	0.3
165.16396	0.2
169.10117	0.2
171.11652	0.3
171.13892	0.3
173.13268	0.5
175.11174	0.3
175.14816	0.5
177.05499	0.3
177.12788	0.4
177.16399	0.6
181.04997	0.4
181.12086	0.2
183.17470	0.1
185.13365	0.2
186.05536	0.2
187.13422	0.2
187.14789	0.8
193.12283	0.4
195.17484	0.8
201.14902	0.4
205.15906	0.3
209.15308	0.3
213.18506	0.3
215.17899	0.2
223.17091	0.2
257.22632	0.4
262.46350	0.2
267.15982	0.7
267.21130	0.5
268.16403	0.4
273.22394	0.2
275.23804	0.9
285.17117	0.2
285.22083	0.8
291.23203	0.4
293.24902	0.3
303.23230	5.4
307.08035	0.7
309.24222	0.2
319.08249	0.3
321.24286	3.1
325.09329	0.7
327.17966	0.2
337.09180	0.9
339.18115	0.3
339.25574	0.3
355.10425	0.2
357.19165	0.2
397.22562	0.2
429.26242	0.2
447.27359	0.5
459.27625	0.9
460.27750	0.5
465.28406	0.8
477.28549	1.9
478.28595	0.5
483.28836	0.2
495.29599	1.2
519.22437	0.7
627.31335	0.2
639.31512	0.3
645.31836	0.2
646.37848	0.2
657.32245	0.8
675.33850	0.5
693.35242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	0.9
61.99482	0.4
65.01357	0.4
67.05479	0.4
68.99766	0.8
69.03419	0.7
70.06545	0.6
71.55431	0.4
78.86101	0.4
79.05485	0.7
81.03364	1.1
81.07029	0.7
85.02847	1.3
91.03909	0.5
91.05428	0.6
93.07029	0.7
95.04926	0.5
95.08578	0.6
97.02833	1.8
97.06521	0.7
101.02319	0.5
105.06989	0.5
107.04894	0.4
108.12342	0.5
109.10112	0.5
111.04392	0.5
117.03293	0.5
119.08524	0.5
121.10098	0.5
127.03917	0.8
131.08525	0.4
135.04431	2.1
137.02316	0.5
140.45787	0.4
145.02847	0.5
147.04401	0.6
153.01849	4.7
163.03920	1.1
171.02936	0.4
177.05511	0.4
217.33618	0.4
230.18211	0.4
287.05530	100.0
288.05960	3.0
361.02301	0.5
390.05655	0.4
405.13721	0.6
443.18887	0.7
469.20828	0.9
584.50439	0.6
631.26135	1.2
639.71606	0.5
649.25830	0.5
715.35309	0.5
877.40472	17.4
878.40784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.2
63.02387	0.5
67.01884	0.2
67.05512	0.4
67.08864	0.2
68.99791	0.5
69.03441	0.3
70.03741	0.2
70.06589	0.5
70.12862	0.2
71.05003	0.5
74.30067	0.2
81.03425	8.7
81.07053	0.3
83.04983	0.2
85.02920	1.2
86.09715	0.3
89.03922	4.8
91.05478	0.7
95.04947	0.3
97.02901	2.8
97.06564	0.2
98.43646	0.2
99.04469	3.0
103.05493	0.3
105.07002	0.2
106.04215	0.3
109.02889	24.4
114.94707	0.2
117.03391	15.9
118.03738	0.2
119.04993	0.3
119.08600	0.2
126.24004	0.2
127.03931	14.0
134.03656	0.7
135.04420	1.1
136.45067	0.2
139.03909	0.7
145.02859	43.9
146.03239	0.5
147.04420	0.5
149.05995	5.5
151.74512	0.2
158.06105	0.3
162.03055	0.3
163.03900	0.8
169.04984	15.5
170.05264	0.2
175.03914	0.3
176.10529	0.2
177.05484	100.0
178.05846	1.4
185.05997	0.2
186.05527	1.5
187.06001	0.2
211.06104	0.3
215.07066	0.4
221.04483	0.3
225.05408	0.2
229.07028	1.7
243.06450	0.4
257.07910	0.2
259.09818	0.3
270.05292	0.2
285.07568	3.0
289.09128	0.8
303.08643	5.5
345.09717	11.9
429.18842	0.2
557.08466	0.3
557.16608	4.2
779.66821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	2.7
64.42426	0.5
65.03922	0.7
67.05512	11.6
68.62936	0.4
69.03403	1.6
69.07076	6.4
70.10911	0.9
70.11303	1.1
71.04969	1.8
71.08639	15.6
73.02895	1.6
76.68486	0.4
79.05501	13.2
81.01723	0.4
81.03392	1.8
81.07067	16.7
81.07519	0.5
83.04997	3.0
83.08628	10.0
85.02907	3.6
85.09731	0.5
85.10193	8.8
89.06015	1.0
91.03922	1.7
91.05497	3.8
93.07056	21.9
95.04986	3.8
95.08617	32.1
97.02889	3.4
97.06500	1.8
97.10172	3.2
98.20891	0.7
99.04449	2.3
103.07606	0.7
105.07035	3.9
107.04965	6.0
107.08605	16.9
109.06489	1.4
109.09464	0.4
109.10170	6.2
111.04465	0.9
111.08060	0.7
116.06290	0.5
117.07026	5.3
119.08601	5.6
121.06503	3.5
121.10156	9.1
123.11678	1.8
125.05995	2.0
127.03901	0.5
130.07753	1.4
133.10081	1.2
135.07999	1.6
135.11708	36.1
136.12019	0.7
136.70386	0.5
137.13232	0.8
139.07515	1.8
143.08615	0.5
145.04926	0.6
145.10144	19.8
153.12761	0.6
163.11201	46.7
164.11542	0.6
173.09619	0.9
181.12254	8.7
209.11745	1.1
227.12804	51.1
228.13055	0.6
239.23659	1.2
248.22766	0.4
257.24765	1.7
283.15430	85.9
284.15768	1.6
313.27393	82.1
314.27707	3.2
518.34967	0.5
521.38440	100.0
522.38574	4.2
788.05353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	9.1
63.08990	0.4
63.42328	0.4
65.03928	1.0
67.05514	10.9
68.63901	0.5
69.03439	2.2
69.07076	7.4
71.01321	0.5
71.04965	1.6
71.08642	13.8
73.02927	3.1
79.05505	10.0
81.03423	6.9
81.07068	15.2
83.01348	4.2
83.04996	5.8
83.08152	0.6
83.08626	10.6
85.02441	0.9
85.02913	13.1
85.06526	0.9
85.09731	0.7
85.10189	8.5
89.06007	1.5
91.03970	7.7
91.05491	6.3
93.07059	13.9
95.04980	3.8
95.08620	13.5
96.04462	0.8
97.02299	0.5
97.02901	7.5
97.06516	2.1
97.10189	3.8
99.04436	1.4
105.07042	5.5
107.04974	4.5
107.08617	6.1
109.02879	0.7
109.06520	4.1
109.10168	6.3
110.11217	0.5
111.04450	1.4
111.08082	0.7
111.11715	0.6
113.05996	0.5
117.07008	3.9
119.08597	4.9
121.06496	2.2
121.10183	3.9
123.08098	5.5
123.11689	1.6
125.05925	0.6
125.09612	1.3
127.03898	2.4
129.07031	0.6
130.07797	0.5
131.08539	2.6
133.10179	0.7
135.08047	1.6
135.11708	7.7
137.13240	1.0
139.07593	0.6
139.11269	0.5
145.05005	3.6
145.10136	9.7
147.08051	1.3
149.06076	0.5
149.09718	0.6
153.12695	1.6
155.08469	0.7
163.06018	3.9
163.09846	0.9
163.11205	14.5
173.09642	2.0
181.12271	2.5
191.10632	1.3
209.11722	4.3
227.12836	2.5
239.23698	1.3
257.24713	1.7
283.15430	100.0
284.15747	2.0
313.27399	76.5
314.27731	1.7
351.47195	0.5
476.84259	0.5
479.54968	0.5
521.38434	56.8
522.39008	2.1
832.44244	0.7
880.51483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	7.2
65.65004	1.4
67.05508	53.9
69.03436	3.0
69.07077	12.6
69.19781	15.6
71.04987	4.3
72.94976	1.4
77.03923	3.4
79.05499	53.4
81.03423	27.7
81.07063	43.7
83.04981	8.5
83.08621	7.1
85.02914	1.7
91.05488	41.5
91.62872	1.6
93.03426	2.9
93.07050	48.3
95.04977	16.4
95.08612	28.9
97.02927	2.0
97.06523	2.2
97.10161	2.7
99.08072	2.1
103.05460	3.9
105.04525	2.7
105.07037	26.7
107.04945	4.6
107.08601	20.9
109.06527	4.8
109.10152	15.5
111.04450	6.4
115.05469	6.1
117.03413	2.0
117.07020	10.2
119.04926	2.4
119.08586	18.5
121.02866	4.9
121.06582	2.3
121.10162	21.6
123.04412	4.2
123.08127	3.5
123.11713	2.5
128.06201	2.5
129.07010	8.6
131.04924	4.6
131.08585	15.2
133.02850	3.2
133.10158	12.4
135.04425	2.6
135.08029	2.4
135.11725	7.2
137.09668	3.7
141.06993	4.3
143.04944	3.7
143.08575	1.9
145.02888	1.7
145.06512	5.9
145.10164	5.0
147.04417	5.0
147.11710	9.5
149.05997	3.5
149.09587	8.3
149.13232	2.2
153.06990	5.8
155.04921	1.7
155.08556	3.9
157.05283	2.2
157.06465	10.3
157.10091	2.7
159.04440	13.3
159.11688	3.8
161.02351	5.9
161.05981	11.1
161.13219	3.6
163.03905	31.3
163.14798	1.7
164.55949	1.4
165.05626	2.3
165.07011	7.2
165.12741	2.9
167.08588	2.8
169.06503	5.6
171.04446	6.0
171.08015	2.7
173.02336	12.6
173.05989	30.0
173.13225	2.2
175.03957	5.4
175.07584	2.4
175.11159	2.2
177.05486	3.7
179.08554	1.9
181.06529	8.8
181.10199	1.7
183.04387	1.9
183.08061	4.7
184.05144	2.1
185.05989	14.6
187.03908	19.0
187.07565	7.9
189.05423	7.0
189.16397	1.6
191.72302	1.7
193.06534	2.4
193.12294	4.7
195.08119	4.6
197.05971	12.6
197.09650	2.4
199.03926	13.6
199.05547	1.8
199.05852	1.6
199.07550	12.2
200.04761	3.5
201.05489	28.2
203.03439	3.2
203.07037	2.1
209.06224	1.5
209.09641	1.8
211.07596	9.9
211.13225	3.4
213.05511	52.4
213.07434	2.2
213.09100	4.7
214.05821	1.7
215.03404	3.7
215.07048	5.1
216.70103	1.8
217.04993	33.1
221.06071	2.8
223.07527	3.8
225.05460	7.7
225.09161	2.8
227.03659	2.3
227.07054	11.5
227.10745	2.1
229.04932	6.4
235.07481	3.2
239.06979	4.6
241.04970	2.1
241.08659	2.7
241.12276	1.9
243.21123	2.2
249.08922	1.7
249.12831	2.2
253.08627	3.1
259.20505	2.0
261.22150	5.6
265.12222	4.0
267.13718	20.7
283.13254	6.9
285.14920	3.2
291.13748	3.9
293.11649	3.8
293.14758	1.5
295.13324	3.1
301.09354	1.7
309.14816	11.9
311.12750	23.2
311.16449	8.8
313.14368	3.3
319.13278	4.0
327.15875	10.1
329.13882	26.9
335.25891	18.9
337.14374	48.2
339.15942	3.4
355.15421	100.0
356.15881	3.3
373.16519	11.4
385.16479	16.2
411.18045	25.8
413.19623	1.9
414.50067	1.7
429.19177	39.0
447.20242	3.3
489.96310	1.6
511.19260	5.0
529.20569	4.1
547.21417	2.8
567.21625	2.4
585.22998	4.6
597.35956	2.3
603.24170	6.0
615.36755	2.6
633.37042	2.7
663.37878	2.1
671.39240	5.2
689.40460	28.1
690.41016	2.4
707.41327	9.8
713.98352	1.8
845.43933	2.9
863.45203	5.5
881.46814	14.0
882.45209	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	882.542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	11.9
69.03434	3.3
69.07071	16.9
69.75989	1.9
69.76409	1.0
71.04993	3.5
71.08639	13.3
73.02917	2.0
79.05493	8.1
80.77249	0.5
81.03423	31.0
81.07063	16.9
83.04980	6.0
83.08625	18.2
85.02910	18.2
85.03427	0.5
85.06541	1.3
85.10186	8.0
87.04488	0.8
87.08109	15.0
88.08405	0.6
91.03949	3.6
91.05482	9.8
93.07058	6.2
95.04967	11.6
95.08611	14.0
95.52460	0.6
96.04494	0.5
96.07091	0.5
97.02895	5.5
97.06523	3.0
97.10175	4.4
99.04475	2.8
99.08045	0.6
105.07040	8.0
107.04957	2.1
107.08615	3.1
109.02877	3.0
109.06520	2.3
109.10146	6.1
111.04454	2.2
111.08087	6.5
111.11707	0.5
113.06030	1.2
115.07603	0.6
119.08579	8.2
121.06536	1.0
121.10155	4.0
123.08100	0.8
123.11714	3.0
125.05912	0.7
125.09635	1.0
127.03919	14.0
129.06996	4.1
131.08582	4.9
133.06497	1.3
133.08598	1.0
133.10141	3.3
135.11716	1.6
136.12053	0.6
137.09700	0.6
137.13306	0.8
142.07806	1.1
145.04971	2.6
145.10135	1.3
147.08072	1.9
147.11708	7.2
149.09631	3.4
151.14975	0.5
157.10161	6.2
163.06039	1.7
163.11205	1.2
164.11501	0.8
165.12784	1.4
169.08614	1.2
173.15384	9.7
175.11195	7.8
184.07448	0.6
187.09660	0.7
193.12257	24.0
195.10202	1.2
210.41338	0.5
211.13307	31.0
219.15974	0.5
229.14354	8.2
239.23723	0.8
241.10725	2.7
259.11856	1.1
267.15939	8.5
280.61859	0.5
283.15323	2.3
284.15793	1.5
285.16983	26.4
286.17328	0.7
313.27399	36.2
314.27814	2.9
343.21167	1.1
355.17529	3.8
362.05859	0.5
373.18478	2.5
391.19565	2.8
404.91754	0.5
429.21228	1.2
466.04987	0.5
469.24310	1.9
505.26666	1.2
505.38867	7.6
521.37952	1.0
522.39148	1.4
523.39960	100.0
524.40192	4.7
667.43939	0.6
709.40228	0.7
715.84851	0.5
771.96326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.1
67.05508	15.8
69.03439	2.6
69.07069	6.6
69.62388	2.5
71.05009	2.5
71.08632	13.4
73.02924	2.3
74.84905	0.4
79.05495	12.2
81.03421	33.7
81.07060	19.6
83.04983	8.6
83.08622	16.7
85.02908	20.6
85.06535	1.0
85.09727	0.6
85.10189	8.3
87.04459	0.6
89.06003	0.8
91.03959	6.0
91.05486	15.0
93.07052	7.4
95.04387	0.6
95.04974	12.6
95.08608	16.0
96.04461	0.6
97.02895	6.2
97.06567	2.0
97.10159	4.2
99.04417	0.7
99.08084	0.6
103.07539	0.7
105.07037	11.1
107.04970	3.3
107.08590	3.2
109.06523	2.8
109.10162	5.7
111.04424	1.3
111.08079	5.8
111.11710	0.5
113.05981	1.4
115.03937	0.4
117.07063	0.8
119.04875	0.6
119.08583	8.5
121.10159	4.4
123.04433	0.4
123.08044	1.1
123.11707	3.2
127.03947	1.8
127.07512	0.4
129.06166	0.5
129.07014	6.3
131.08571	6.4
133.06493	1.3
133.10135	5.9
135.11586	0.5
137.09621	0.7
137.13235	1.1
142.07738	1.2
144.24539	0.3
145.05003	2.1
145.10158	0.9
147.08051	1.3
147.11685	9.0
149.09634	3.3
157.10149	7.7
163.06006	2.7
163.11212	0.4
165.12721	1.9
175.11186	8.4
184.07347	0.6
193.12254	24.5
203.08235	0.4
211.13306	42.9
212.13692	0.8
213.51566	0.4
229.14288	0.5
239.23750	1.2
249.14839	0.6
257.24890	0.9
267.13052	0.5
267.15924	16.1
285.16974	60.7
286.17303	1.3
313.27371	60.5
314.27737	1.6
505.38889	15.3
506.39142	1.2
513.87567	0.4
523.39966	100.0
524.40448	4.3
652.36090	0.4
667.44305	0.5
702.77539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.5
69.03437	2.7
69.07085	1.0
71.05013	0.3
71.08646	1.0
71.55132	0.3
71.55596	0.5
73.02925	3.6
79.05492	1.5
81.03440	1.4
81.07059	2.0
83.05035	0.3
83.08652	1.1
84.08405	0.3
85.02919	4.5
85.10167	0.7
91.03960	2.8
91.05506	0.8
93.07056	1.6
95.04981	0.4
95.08614	2.8
97.02905	4.2
97.10210	0.4
99.04489	1.2
101.02387	1.6
105.07087	0.5
107.08630	1.0
109.02932	0.6
109.10229	1.1
115.03963	0.5
117.07064	0.5
119.08619	0.6
121.06584	0.3
121.10207	0.5
127.03971	1.4
135.11690	2.5
145.04993	0.4
145.10114	1.5
163.11214	3.4
170.83945	0.3
181.12396	0.6
185.04219	1.5
190.64853	0.3
203.05319	0.9
219.10030	0.3
227.12793	3.2
243.08484	2.2
249.11047	6.3
285.64215	0.3
285.89380	0.3
305.13635	2.2
313.27518	0.9
316.87265	0.3
347.09515	2.4
363.09293	0.4
365.10886	0.7
405.13712	6.1
406.14087	0.3
467.18936	11.2
467.25201	0.6
468.19391	0.3
497.30957	6.2
497.37805	0.5
498.31607	0.3
530.63007	0.3
561.37732	0.6
629.24066	6.9
659.36316	4.9
723.42957	3.4
749.77814	0.4
885.48236	100.0
886.48383	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	886.465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.5
67.05170	1.3
67.05511	20.5
69.03427	4.5
69.07077	5.2
70.06591	0.9
70.70288	1.5
70.70655	1.4
71.04984	3.1
73.02918	1.2
79.05499	22.0
80.80340	0.9
81.03428	84.2
81.07068	19.3
82.03749	1.2
83.04993	10.3
83.08630	22.4
85.02914	15.3
85.06530	0.9
91.03958	2.8
91.05492	26.1
93.07059	15.0
95.04977	28.4
95.08610	9.4
97.02901	6.2
97.06539	4.2
97.10185	5.1
99.04436	1.0
103.05481	1.0
105.07038	18.1
107.04958	8.8
107.08611	8.7
109.02906	1.5
109.06516	4.7
109.10173	7.1
111.04449	3.7
111.08104	7.1
115.05435	2.1
117.07026	3.1
119.04960	1.7
119.08597	18.6
121.06496	5.3
121.10157	8.0
123.04498	1.3
123.08080	2.9
125.09654	4.7
129.07024	12.8
131.04924	1.7
131.08583	12.2
133.06512	4.1
133.10139	9.1
135.08058	2.2
135.11754	1.7
137.09616	2.2
139.94661	0.8
141.06958	1.3
142.07759	3.3
143.08585	1.7
145.04967	1.1
145.06499	5.9
145.10136	4.1
147.04385	1.3
147.08038	4.1
147.11700	12.0
149.09634	6.8
151.11168	1.3
153.09087	0.9
155.08549	1.2
157.06453	1.2
157.10133	15.1
159.07990	0.9
159.11681	1.1
161.09656	0.9
163.03928	1.5
163.06114	1.3
163.11209	3.1
165.12796	2.2
167.08563	1.0
169.10161	1.0
171.08025	1.7
171.11797	1.3
173.09627	1.1
175.11212	14.4
185.09695	1.0
187.11250	1.5
189.11166	2.1
189.12785	1.3
191.10764	0.9
193.12265	32.8
195.11638	2.3
197.09628	1.2
197.13271	1.6
199.11009	0.8
211.13324	13.0
215.14380	1.0
227.12723	1.9
229.14349	1.9
233.15366	1.1
249.14964	2.2
255.13823	2.8
259.09692	1.0
267.15936	100.0
268.16193	1.8
273.14832	5.0
283.15430	1.1
285.17035	11.7
339.23184	2.3
339.72873	0.9
341.21124	1.9
349.21527	3.9
351.22214	0.8
355.89438	0.8
357.24316	1.2
367.22745	10.5
385.23782	9.7
403.24841	2.8
415.24734	1.1
423.25388	0.9
433.25845	16.2
434.26239	0.9
441.26465	7.6
459.27475	79.8
460.27643	3.0
468.47098	0.9
477.28543	43.2
478.28333	1.4
491.30609	1.2
501.28439	1.5
509.31082	1.0
519.29346	3.8
585.30798	1.5
603.31207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.2
69.03443	3.2
69.07075	0.6
71.01353	0.4
71.05019	0.9
71.08637	1.2
71.55418	0.6
73.02923	3.3
77.13261	0.4
79.05504	2.1
81.03426	3.0
81.07065	2.8
83.05027	0.4
83.08610	1.0
85.02913	6.6
85.10193	0.8
91.03952	3.5
91.05495	1.5
93.07066	1.2
95.04998	1.0
95.08624	1.9
97.02895	6.0
97.10210	0.6
99.04463	1.0
99.51626	0.4
101.02403	1.8
103.03970	0.8
104.77586	0.5
105.07075	1.5
107.08618	0.8
109.02922	1.2
109.06586	0.4
109.10198	1.2
111.08113	0.6
115.03958	0.5
116.20795	0.4
119.08604	0.9
121.10180	0.8
123.11729	0.5
124.88039	0.4
127.03944	2.3
131.08615	0.6
133.10141	0.5
139.23750	0.4
145.05008	0.5
147.11710	0.9
157.10185	0.7
175.11394	0.5
185.04309	0.6
187.68562	0.4
193.12308	1.3
203.36302	0.4
211.13310	0.6
243.08472	2.2
251.12595	0.8
253.14418	0.6
307.15283	0.9
313.27448	1.0
335.25815	0.8
347.09570	2.4
348.22000	0.4
363.09146	0.5
365.10696	0.9
405.13629	4.9
469.20474	8.6
497.30927	4.5
519.84705	0.5
529.39160	1.7
599.26672	0.5
631.25745	6.7
642.28387	0.4
659.36029	3.4
700.22003	0.4
725.44598	1.7
726.79230	0.5
754.37311	0.6
887.49792	100.0
888.50098	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	889.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	3.1
69.03436	3.4
70.06587	0.8
79.05502	1.7
81.03420	5.2
81.07071	1.2
85.02909	4.4
87.00820	1.6
91.05511	3.1
93.07066	1.3
94.06565	4.4
95.04994	1.5
96.08154	3.5
97.02901	2.6
97.06535	1.5
99.04501	1.1
101.00919	0.7
107.07343	0.8
108.08118	6.5
109.02871	2.0
110.09698	5.1
115.16288	0.8
120.08088	3.7
122.06058	9.5
122.09653	1.9
127.03941	1.7
136.07570	7.3
138.09152	6.9
139.12703	0.6
147.04420	2.7
148.07635	2.9
150.09116	1.8
166.08670	13.6
166.09955	0.5
211.08751	2.3
219.24913	0.7
221.10846	2.2
223.08847	0.9
225.10307	1.0
235.08690	1.6
236.09377	0.8
237.10114	1.0
247.08745	2.5
248.09573	2.2
249.10258	14.7
249.12607	1.0
250.10922	1.4
251.11876	1.4
261.10446	1.6
263.11850	1.5
265.09744	1.1
275.08176	1.0
277.09756	7.8
278.10538	1.0
291.11356	1.2
293.09100	0.9
309.12454	6.8
310.13354	0.8
311.11630	0.8
312.11349	0.9
314.61148	0.7
321.12344	0.9
323.14252	1.2
325.12866	0.8
326.13147	3.2
327.13873	1.6
328.14471	1.3
329.11554	0.9
336.14935	1.5
337.15903	2.0
338.16888	1.5
339.14218	1.5
340.10876	1.7
340.14655	2.9
341.11505	1.7
341.15381	1.5
342.12402	2.7
342.16141	1.5
350.12744	1.3
351.13818	1.0
352.14639	2.1
353.11911	2.0
354.12280	6.3
354.16208	1.0
355.12894	3.6
356.14008	4.2
356.17563	1.5
364.10800	0.9
364.14496	4.9
366.12402	1.8
366.16223	3.3
367.13495	3.4
368.10068	1.6
368.14035	10.7
369.14725	6.8
370.15750	2.0
371.16522	0.9
372.76227	0.8
378.11984	1.0
380.14075	2.1
382.11191	4.2
382.15909	6.0
383.12213	1.0
383.16647	2.1
384.17145	9.0
392.13873	4.0
394.16074	1.6
395.12906	1.9
396.13361	6.8
397.14319	3.0
398.14319	1.3
398.18793	11.2
403.14825	1.0
410.14951	5.4
412.16528	9.6
414.14606	2.8
415.15158	1.8
420.13483	1.6
426.14639	2.9
428.16064	5.6
429.17264	1.0
438.14545	25.5
439.15125	1.2
442.17657	2.4
444.19803	6.0
452.16208	1.5
456.15591	40.3
457.15927	1.3
458.17093	7.9
459.52853	0.9
470.17319	2.7
476.18259	26.8
477.18417	1.5
488.18204	19.2
489.17999	1.1
537.22980	0.8
545.22229	1.3
563.22937	1.2
591.22406	5.3
595.25488	3.1
609.23480	21.8
610.23578	1.2
623.25085	19.5
624.25439	1.2
641.26117	100.0
642.26263	5.6
845.32880	4.0
857.28595	2.9
871.30798	1.1
889.30493	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	891.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85252	0.6
63.00298	0.6
65.03967	0.8
67.05498	0.8
69.03439	5.1
70.06645	0.9
70.83352	0.8
70.83664	1.1
71.55718	0.6
73.02911	1.0
79.05492	1.4
80.05030	0.7
81.03419	4.7
81.07074	0.8
85.02903	3.7
87.00843	1.7
89.03955	0.8
91.05479	1.7
92.04984	1.1
93.07042	1.3
94.06567	4.8
95.07368	1.1
96.08144	3.4
97.02868	3.3
99.04473	0.9
105.01888	1.4
106.06571	1.5
107.07349	0.9
108.04512	2.2
108.08131	9.7
109.02895	6.1
110.09689	4.4
116.04990	2.0
118.06549	0.7
120.04503	3.3
120.08112	6.3
122.06035	7.9
122.09680	2.0
123.46075	0.6
124.07594	5.6
127.03899	5.5
134.06030	2.2
136.07596	11.7
138.05634	0.8
138.09148	8.4
144.04459	5.6
145.04988	0.7
146.06033	7.7
147.04413	0.9
148.07602	3.9
150.09172	4.3
152.07111	1.5
156.62581	0.7
160.03920	2.9
162.05544	2.9
164.07095	1.5
166.08646	22.5
167.99516	0.6
172.03946	25.6
172.07571	0.9
174.05577	2.1
176.07104	3.3
177.05482	0.9
182.09712	1.1
184.10002	1.4
186.05597	1.1
190.04996	16.3
193.98108	0.7
196.09883	0.9
197.10797	3.0
199.08559	0.8
199.12379	2.6
204.06580	40.8
205.06920	0.9
209.10753	1.6
210.09366	1.3
211.08759	3.0
211.12312	1.1
212.09514	2.1
213.10353	1.2
222.07744	2.0
223.08739	1.0
223.12436	1.5
224.09467	1.9
225.10263	8.5
226.11020	1.8
227.11816	10.7
236.09509	2.8
237.10214	3.2
238.11014	2.0
239.11882	4.0
241.09776	1.9
241.13457	1.5
243.11475	0.7
245.12952	0.7
249.10306	2.7
250.11003	1.1
251.08165	1.5
251.11824	3.7
252.09175	0.9
253.09799	5.4
255.11272	2.4
261.10403	0.7
262.08691	0.9
263.08124	1.0
264.08853	4.0
265.09839	2.7
266.10513	1.0
267.11349	2.5
269.12860	10.8
271.10754	8.3
273.12390	2.9
277.09845	2.8
278.10403	1.5
279.11285	5.1
280.12125	0.8
281.09253	0.8
281.12894	1.7
283.10846	5.3
284.11557	5.0
285.12415	4.3
286.13239	0.8
287.13956	8.7
289.13470	0.8
295.10883	2.1
297.12396	7.8
299.14029	5.4
300.11514	0.9
301.12354	0.8
307.11002	2.4
309.12399	2.0
311.10428	1.2
311.14175	1.2
312.15045	2.1
313.13159	1.6
314.12970	2.4
315.14005	1.5
316.11099	0.8
316.14642	1.9
321.12451	0.8
323.10266	6.9
324.15228	0.9
325.11902	12.4
326.12854	1.2
326.16537	1.3
327.13651	2.3
327.17233	1.5
328.10843	2.6
328.14532	3.5
329.11566	1.2
329.15149	1.9
330.12524	1.0
330.16046	3.0
331.16855	2.3
339.13617	2.4
340.14560	1.5
342.12460	7.5
342.16098	1.5
343.13287	5.0
344.13953	2.2
344.17825	1.0
352.14746	1.7
354.12167	1.2
354.16010	1.8
355.13333	1.4
356.13892	6.7
356.17221	0.6
357.14478	19.0
358.15524	5.8
365.11487	2.2
366.16281	1.3
367.13269	0.9
368.17706	0.9
369.15326	1.0
370.11691	1.0
370.15625	5.4
371.16302	1.9
372.17010	0.7
375.15634	1.0
378.18063	1.1
380.13980	1.4
382.12128	2.8
383.12869	2.7
384.13315	4.6
384.17429	0.8
385.14206	2.7
386.15015	2.0
386.18845	2.6
387.15582	1.1
388.16653	1.4
390.18185	2.3
394.15747	1.6
397.14645	2.1
398.15027	20.2
398.20047	1.2
399.15796	27.9
400.16461	3.3
402.18536	1.5
404.16138	4.9
412.16470	3.7
413.17694	0.7
414.18375	4.3
416.16058	15.3
417.16934	1.1
422.17160	2.1
428.16129	5.2
429.16843	0.9
430.17636	4.7
439.20963	0.7
440.16074	8.7
446.17136	10.1
448.18433	0.8
458.17160	32.9
459.17517	1.8
460.18896	1.0
478.19589	1.5
490.19781	14.1
524.24500	0.8
551.22888	0.9
555.16290	1.6
557.96582	0.8
565.24451	1.6
567.25861	1.3
569.23846	2.8
573.17169	18.8
574.17688	0.9
583.25470	1.4
591.18445	1.2
593.23981	7.8
595.25751	1.0
605.19666	3.1
611.25049	100.0
612.25336	5.3
643.27832	10.5
675.52826	0.8
738.24603	0.9
771.32251	1.3
773.30481	3.8
815.31250	5.0
817.29327	1.6
841.29535	0.9
859.30304	31.4
860.30591	2.4
891.32422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	2.5
69.03433	4.1
69.07050	0.7
70.01009	1.5
70.06596	0.5
71.01378	0.9
71.03053	0.3
71.05016	1.4
73.02925	4.2
79.05511	2.5
81.03424	6.2
81.07067	2.8
83.04999	1.2
83.08639	1.3
84.04513	0.4
85.02911	7.5
85.06593	0.5
87.04498	0.6
91.03960	3.3
91.05491	3.4
93.07063	2.4
95.04968	1.9
95.08624	1.1
97.02898	6.6
97.03506	0.5
97.06554	1.4
101.02390	1.9
103.03973	0.6
105.07046	2.9
107.04984	0.7
107.08614	1.0
109.02927	0.9
111.08112	0.7
115.04034	0.5
119.08607	1.7
121.10143	1.5
123.11792	0.3
127.03935	2.3
129.07047	1.0
131.08620	1.4
133.10152	1.5
135.04454	0.4
136.07564	0.3
145.04977	0.6
147.04515	0.5
147.11668	1.6
149.09608	1.6
151.03885	0.3
157.10205	1.2
163.03978	1.0
163.11307	0.3
166.08778	0.3
175.11267	1.4
184.51244	0.3
185.04214	0.7
193.12257	2.3
193.64328	0.4
197.15540	0.5
203.05341	0.9
211.13380	0.5
224.04956	0.4
225.14966	0.9
243.08441	2.4
251.12587	0.7
267.09229	0.5
267.16049	1.2
269.12485	0.4
279.11554	0.4
283.15244	2.7
285.10196	0.5
287.05798	0.9
305.08533	0.3
307.15448	0.5
339.18155	0.9
347.09558	3.1
357.14688	0.4
363.09042	0.7
365.10855	1.0
405.13727	6.1
425.33560	0.3
432.66739	0.3
469.20465	8.8
501.23071	8.7
522.23035	0.9
568.40936	0.3
631.25787	6.7
632.27118	0.4
663.28363	8.0
664.28821	0.4
729.36420	2.5
801.34967	1.0
891.42023	100.0
892.42096	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	896.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05450	10.3
67.05829	0.8
69.03437	2.2
69.07018	4.5
69.28777	2.5
69.29190	0.8
69.96234	0.4
70.35526	0.4
71.01323	0.9
71.04960	0.9
71.08639	13.3
73.02862	2.7
79.05499	4.3
81.03433	2.6
81.07063	13.8
83.04932	1.2
83.08623	10.5
84.19456	0.4
85.02914	8.3
85.06493	0.7
85.10190	7.6
89.05997	1.0
91.03978	4.7
91.05489	9.5
93.07056	7.8
95.04971	2.2
95.08618	10.5
97.02910	7.0
97.06467	1.4
97.10172	3.3
99.00828	10.2
99.04410	0.7
103.05421	0.8
103.07536	0.7
105.07043	8.1
107.04959	3.6
107.08620	3.4
109.02891	5.9
109.06475	1.1
109.10162	7.5
111.04407	0.9
111.08024	1.8
111.11658	0.6
115.03941	2.5
117.06950	1.9
119.04902	0.7
119.08581	5.2
121.06506	4.4
121.10089	0.6
123.04368	1.2
123.08044	0.5
123.11729	3.7
127.03931	4.0
128.06180	0.9
130.93971	0.5
131.08504	0.6
133.06436	0.9
133.10147	21.5
135.07996	0.7
137.05994	0.8
137.09648	0.5
137.13235	1.0
139.07478	1.6
143.08586	3.4
145.04906	2.5
145.06433	0.7
145.10127	0.5
147.08028	0.6
151.10161	0.5
151.11192	7.4
161.08316	0.6
161.09621	11.4
163.06041	2.2
171.08139	2.5
179.10677	6.8
189.09099	5.5
197.11696	1.7
198.41647	0.4
207.10237	2.3
225.11266	7.1
239.23738	1.4
243.12276	1.6
257.24774	1.4
281.13806	3.8
299.14917	100.0
300.15317	1.4
313.27393	74.6
314.27768	1.8
339.87558	0.5
537.37927	53.6
538.38336	1.6
628.18140	0.5
724.40393	0.8
782.50647	0.5
786.22516	0.6
893.18976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.7
67.05493	0.5
69.03438	0.6
69.31072	1.0
69.31496	2.2
70.06573	0.8
71.04977	0.3
73.02892	0.4
77.03922	0.4
78.65324	0.4
79.05482	0.7
81.03405	0.8
83.04964	1.1
85.02896	1.4
89.03908	1.1
91.05460	0.6
95.04971	0.8
97.02903	0.7
97.06535	1.3
98.20745	0.6
103.05486	0.5
105.03381	0.7
105.07037	0.5
107.04959	0.5
107.08529	0.4
109.02881	0.4
111.04433	0.5
115.05459	0.5
117.03377	0.8
119.04971	0.4
121.02861	1.0
129.06985	0.6
131.04919	1.2
131.08551	0.7
133.02872	4.4
133.10172	0.6
135.04420	1.1
139.03838	0.6
141.06995	0.5
145.02875	0.7
145.06427	0.5
146.03514	0.5
147.04379	1.6
151.36426	0.5
153.01842	12.5
157.06508	0.8
159.04446	4.6
159.08072	0.8
161.02351	8.1
161.05933	0.4
163.03918	7.3
167.07021	1.4
169.06483	0.8
171.02971	0.4
171.04420	0.7
173.02354	58.6
174.02654	0.4
175.03947	1.2
175.07530	0.5
177.05493	1.5
181.04967	0.6
183.07994	0.5
185.06013	1.4
186.03192	0.9
187.03922	1.1
187.07521	1.1
197.05994	0.7
201.05556	0.5
201.09212	0.7
203.03484	0.6
203.07120	0.5
203.95262	0.3
211.07629	0.6
213.05527	0.4
215.07045	20.7
216.07520	0.4
237.05505	1.9
253.04817	0.6
257.04373	2.1
258.05292	1.3
259.09546	1.2
265.04974	7.4
267.09082	0.4
269.04263	0.5
281.04480	1.4
282.04965	0.6
283.05865	0.6
286.04770	3.9
287.05411	1.7
293.04517	1.6
295.05911	0.7
297.03937	2.5
298.04648	1.6
299.05554	0.8
307.06223	0.8
307.09747	0.9
309.03757	0.6
310.04791	1.0
311.05511	58.2
312.06009	1.5
321.03912	0.7
323.05472	1.6
324.06201	0.6
325.06992	1.8
326.04376	0.5
327.04926	1.6
329.06561	4.7
334.04919	0.9
335.05359	0.6
335.09082	0.8
339.04938	0.8
339.08804	0.5
345.07898	0.5
353.10315	1.6
363.08722	1.2
377.06586	0.4
381.09714	1.6
383.11279	2.2
385.13452	0.4
429.17889	0.6
438.18109	0.5
447.19128	0.6
525.12018	1.9
543.12903	100.0
544.13220	4.1
561.13867	1.2
705.18182	1.8
717.18243	0.7
735.19141	7.3
897.28931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.538
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05167	2.0
67.05508	30.4
69.03426	3.8
69.07078	12.4
69.24300	5.0
69.24722	4.4
70.06596	2.0
71.01351	3.7
71.05000	2.5
71.08639	26.8
72.26738	1.3
73.02911	4.4
79.05500	27.5
81.03426	26.9
81.06584	1.8
81.07065	33.2
83.01330	3.3
83.04990	16.4
83.08617	18.8
85.02908	23.7
85.06538	3.0
85.10185	16.9
89.06052	1.9
91.03972	10.5
91.05478	15.0
93.07050	27.9
95.04969	8.9
95.08617	31.3
97.02908	15.3
97.06538	9.4
97.10191	6.3
98.21527	1.9
99.04467	3.8
99.08072	1.6
103.07582	2.0
105.07023	8.2
107.04969	16.1
107.08594	12.5
109.02887	1.6
109.06520	5.7
109.10163	19.0
111.04456	10.4
111.08090	3.6
111.11736	1.8
113.05951	1.4
117.07022	8.0
119.08590	10.5
121.06515	2.7
121.10155	12.6
123.08083	6.1
123.11720	3.2
125.05991	1.9
125.09624	2.2
127.03924	3.0
129.07030	2.4
130.07878	1.4
131.08603	7.3
133.10127	3.0
135.08058	2.9
135.11707	21.1
137.09619	1.8
137.13327	1.0
145.04965	4.0
145.06508	1.5
145.10127	22.0
147.08107	2.7
149.09645	3.0
151.14873	1.2
153.12766	15.6
155.08601	3.0
163.06085	5.3
163.07291	1.2
163.11200	38.4
165.09174	1.8
173.09604	7.6
181.12259	9.9
191.10695	13.8
209.11749	30.5
209.13658	2.2
209.75667	1.2
218.74603	1.1
227.12807	17.7
230.08270	1.1
239.23802	2.8
255.15912	1.9
257.24814	3.1
265.14349	11.9
283.15417	63.9
284.15686	1.5
291.74091	1.1
301.16476	71.0
313.27390	100.0
314.27722	4.5
427.19897	1.1
445.20798	1.7
503.37329	11.7
508.76712	1.1
521.38434	89.7
522.38721	3.9
539.39471	88.2
540.39911	4.9
570.66821	1.2
592.67365	1.2
668.97046	1.4
683.43341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.1
65.61271	0.8
67.05508	62.8
68.05841	0.9
69.03439	5.8
69.06730	1.1
69.07072	13.3
71.01349	2.0
71.05013	5.7
71.06250	2.0
71.08636	4.7
71.08963	0.8
72.10760	0.8
73.01301	0.7
73.02924	6.0
77.03911	1.2
79.05495	48.7
80.05817	1.2
81.03422	25.7
81.07059	65.7
82.03731	1.7
82.07397	1.4
83.01334	7.3
83.04979	13.2
83.08620	19.5
84.08954	1.0
84.37275	1.0
85.02908	23.4
85.06537	2.7
85.10191	2.1
91.03959	12.2
91.05482	34.5
92.05782	1.0
93.07047	63.6
94.07355	1.2
95.04978	11.1
95.08608	49.3
96.05294	0.9
96.08932	1.4
97.02887	14.2
97.06545	7.0
97.10165	6.9
98.97657	0.8
99.04445	3.1
99.08083	1.0
105.04537	1.5
105.07031	22.3
107.04966	8.3
107.08598	37.2
109.02889	1.5
109.06524	8.4
109.09466	1.5
109.10159	18.5
111.04440	3.8
111.08102	4.7
111.11702	1.0
115.03910	1.2
117.07018	12.5
119.08584	22.6
121.06535	5.4
121.09321	1.6
121.10145	25.6
123.08070	9.0
123.11725	6.6
123.73054	0.8
125.05975	1.1
125.09608	5.3
127.03906	4.4
128.06212	1.2
129.06989	3.2
130.07716	1.2
131.08574	16.3
133.10133	11.9
135.08022	2.9
135.11702	25.7
137.09630	2.5
137.13281	1.8
143.08609	2.1
145.04948	5.3
145.10138	23.7
145.11276	1.5
147.08034	2.5
147.11676	8.1
149.09628	2.6
149.13289	8.3
150.45802	0.9
153.12738	3.3
155.08554	2.3
157.10155	2.4
158.10460	0.9
159.11723	6.5
161.13237	5.1
163.06026	6.4
163.11180	26.6
163.14796	3.0
164.11525	1.1
169.10080	1.3
170.03104	0.9
171.11630	1.2
173.09602	2.5
173.13278	7.5
175.11136	1.4
175.14853	1.7
177.12715	0.9
177.16397	1.5
181.12239	4.7
183.11688	1.0
185.13301	1.1
187.14809	3.5
189.11209	2.3
191.10646	1.6
193.12253	4.5
194.12541	2.2
199.14854	1.5
201.16347	1.3
209.11714	6.5
211.13290	2.2
227.12794	16.5
241.07480	1.0
241.19560	1.3
243.21059	6.3
259.20590	2.3
261.22156	20.0
267.15906	14.7
268.16309	6.8
269.16516	2.0
269.22644	1.0
283.15411	100.0
284.15613	2.4
285.16907	1.2
288.56808	0.9
299.23703	5.0
313.27393	11.0
314.27756	7.8
315.28000	2.5
317.24792	6.8
333.24271	2.1
335.25812	98.9
336.26205	1.7
415.30133	1.1
433.30991	1.8
443.23129	1.2
451.32172	5.1
461.24252	1.6
469.32974	3.1
482.75327	1.1
487.33990	1.5
505.39102	4.4
506.39078	7.2
507.39655	7.9
515.36719	1.2
525.35858	8.5
543.36835	95.7
544.37012	3.4
561.37909	6.6
715.39496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.3
65.41957	0.4
67.05509	36.9
68.05838	0.5
69.03431	1.9
69.07077	8.8
69.91006	1.9
71.04999	1.8
71.08604	0.7
73.02910	1.8
77.03904	0.4
79.05499	30.2
80.05826	0.4
81.03416	2.7
81.07062	38.1
83.04984	3.2
83.08626	7.4
85.02492	0.4
85.02907	3.8
85.06517	1.1
91.03960	2.0
91.05486	13.5
93.07053	42.4
93.28870	0.5
95.04469	0.4
95.04984	6.0
95.08614	46.1
96.08918	0.7
97.02893	3.4
97.06528	3.3
97.10195	1.9
98.20775	0.4
99.04468	3.5
99.08096	0.7
103.05424	0.6
105.04556	0.6
105.06398	0.7
105.07039	11.0
107.04963	5.8
107.08604	29.4
109.06509	2.4
109.10168	11.1
111.04433	1.5
111.08073	0.9
113.06026	0.5
113.09638	0.4
115.05346	0.4
117.07023	7.7
119.08590	12.5
121.06518	5.1
121.10149	15.3
123.08070	0.8
123.11710	2.9
125.06021	2.1
127.03908	0.7
129.07016	0.6
130.07770	0.9
131.08578	4.1
133.09235	0.5
133.10143	6.0
135.08018	1.4
135.11702	39.0
137.09590	0.9
137.13223	1.0
139.07503	1.4
143.08562	1.1
145.04926	0.7
145.10129	22.7
147.07976	0.5
147.11707	2.8
149.09637	0.4
149.13257	3.2
153.12732	1.1
159.11702	2.1
161.13202	1.8
163.11194	44.0
163.14749	1.0
164.11484	0.6
173.09587	0.8
173.13187	1.8
175.14734	0.7
177.16360	0.9
181.12238	7.9
187.14891	0.8
208.48434	0.4
209.11772	1.4
227.12794	48.3
228.13156	1.3
243.21114	2.3
261.22162	7.8
267.15903	0.9
283.15417	54.0
284.15744	1.7
299.23605	0.6
313.27487	0.4
317.24747	2.9
335.25818	100.0
336.26224	2.9
506.87076	0.5
528.89795	0.4
543.36853	93.4
544.37036	3.7
746.43323	0.4
903.48975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84033	0.5
65.03918	1.4
67.05512	32.3
68.05815	0.5
69.03416	1.6
69.06728	0.6
69.07076	9.3
70.10659	2.2
71.04971	2.2
71.08643	0.6
73.02901	2.0
79.05502	28.8
81.03429	3.3
81.07067	34.8
83.04986	3.0
83.08224	0.6
83.08631	7.4
85.02917	4.0
85.06525	1.3
85.10164	0.8
88.06536	0.5
91.03937	2.2
91.05486	12.8
93.07053	38.6
94.07360	0.7
95.04982	6.5
95.08617	38.9
96.08865	0.5
97.02905	5.5
97.06535	2.6
97.10154	1.9
98.20801	0.7
99.04472	3.3
103.05439	0.7
105.04491	0.6
105.07047	9.7
106.71066	0.5
107.04973	5.7
107.08609	29.1
107.51394	0.6
109.02933	0.5
109.06493	2.0
109.09460	0.6
109.10171	9.9
111.04424	1.1
111.08083	1.6
113.06055	0.7
115.05418	0.7
117.07032	8.1
119.08589	12.7
121.06526	3.8
121.10159	19.1
123.08048	1.1
123.11687	2.5
125.05978	2.1
125.09632	1.0
127.03914	1.2
127.07558	0.6
128.06195	0.5
130.07779	1.5
131.08585	3.7
133.10141	5.5
135.08076	1.8
135.11710	46.0
136.12010	0.6
137.13242	0.6
139.07544	1.9
143.08632	0.8
145.10139	27.2
147.11668	2.2
149.09584	0.6
149.13298	2.4
153.12762	1.1
159.11665	2.5
160.09969	0.5
161.13260	2.0
163.06032	1.2
163.11200	51.6
163.14862	1.8
164.11488	0.7
173.09663	1.0
173.13263	1.8
174.48598	0.5
177.16432	0.9
181.12257	9.6
187.14850	0.6
191.10629	0.5
194.53410	0.5
201.16486	0.6
209.11708	1.2
227.12807	66.1
228.13159	1.5
243.21123	2.2
261.22189	8.0
267.15955	1.1
268.16251	0.6
283.15430	100.0
284.15823	1.9
313.27411	1.9
314.27896	0.6
317.24750	2.3
335.25839	83.6
336.26080	2.9
362.06555	0.5
391.58682	0.5
456.14255	0.5
469.32785	0.6
485.46725	0.6
543.36871	89.1
544.37219	4.4
561.38037	0.6
903.48035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.3
67.05508	25.5
69.03429	2.0
69.07072	6.9
71.04987	2.3
71.06522	1.1
73.02914	1.2
78.28741	0.5
79.05500	19.8
80.05823	0.5
81.03421	24.8
81.07061	26.7
81.96792	0.5
82.07402	1.0
83.04989	6.0
83.08624	11.5
85.02907	14.0
85.06546	0.9
90.78007	0.6
91.03978	2.1
91.05485	17.1
93.07050	20.9
94.07371	0.7
95.04977	10.7
95.08607	20.0
96.08939	0.6
97.02897	4.1
97.06525	2.5
97.10179	2.6
99.04460	0.7
99.08062	0.8
105.07044	12.3
107.04977	2.2
107.08601	11.7
109.06530	2.3
109.10159	7.6
111.04433	1.5
111.08116	4.8
113.06020	0.7
115.05437	0.7
117.07037	2.5
119.04913	0.6
119.08586	10.4
121.06496	0.6
121.10140	11.0
123.08110	1.2
123.11707	2.3
125.09604	1.2
127.03969	0.8
129.07014	4.2
131.08566	7.5
133.06519	1.4
133.10143	6.5
135.11702	6.3
136.12088	0.7
137.09622	1.4
137.13303	0.9
139.11237	0.6
142.07764	1.0
143.08624	0.5
145.05005	1.3
145.10135	4.0
147.08058	1.4
147.11693	7.2
149.09627	2.9
149.13275	2.2
157.10147	5.3
159.11691	2.1
161.13283	1.4
163.11263	2.5
163.14876	0.9
164.11664	0.6
165.12762	1.8
173.13283	1.5
175.11194	6.0
175.14807	0.6
187.14812	1.0
189.11296	0.5
193.12253	15.5
211.13304	22.1
211.15265	1.1
227.12920	2.4
228.13234	0.9
229.14316	0.7
243.21120	1.0
261.22113	6.1
267.15936	6.6
283.15460	2.1
284.15793	1.5
285.16974	27.3
317.24701	1.4
335.25815	46.6
336.26141	2.5
337.26581	1.2
429.21204	0.7
435.32718	1.0
453.33557	1.3
471.35419	0.7
509.36511	0.6
527.37335	8.5
543.36798	1.6
544.37225	2.1
545.38379	100.0
546.38794	3.5
689.42444	0.9
904.50098	1.9
905.49542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	2.3
67.05511	48.0
67.06036	1.3
67.25443	0.4
69.03437	4.4
69.07076	12.0
69.37512	0.4
69.87168	1.1
69.87561	1.2
71.04996	4.2
73.02913	3.2
77.03924	0.5
79.05501	39.2
80.05844	0.5
81.03427	40.2
81.07065	47.7
83.04990	10.5
83.08627	18.7
85.02914	26.4
85.06564	2.3
91.03968	6.4
91.05490	32.4
93.07055	37.5
95.04380	0.9
95.04977	18.6
95.08616	30.6
96.05306	0.4
97.02900	8.1
97.06546	3.9
97.10197	3.6
98.20696	0.4
99.08082	0.9
103.05460	1.0
105.04481	1.0
105.07042	20.0
107.04959	4.9
107.08602	19.7
108.13552	0.4
109.06532	4.0
109.10175	12.6
111.04420	1.9
111.08095	8.4
113.05984	1.9
115.05415	1.7
117.07021	4.4
119.08590	17.7
121.06468	1.6
121.10154	17.6
123.08124	2.4
123.11713	4.4
125.09602	1.0
125.69543	0.5
127.03901	3.2
127.07557	0.4
127.11109	0.5
128.06180	0.5
129.06166	0.6
129.07024	8.2
131.08577	14.0
133.06490	1.5
133.10149	13.1
135.08032	0.7
135.11707	7.6
137.09604	1.2
137.13263	1.2
142.07747	1.9
143.08533	0.8
145.04921	2.0
145.10132	6.1
147.08043	2.1
147.11707	12.3
149.09642	3.8
149.13275	4.0
155.08575	0.7
157.10152	9.9
159.11696	4.1
161.13252	2.9
163.06013	1.6
163.11156	0.7
163.14870	2.2
165.12759	1.8
169.10205	0.5
171.11725	0.7
173.13278	3.2
175.11208	9.5
175.14812	0.9
177.16457	0.7
183.11644	0.7
185.13243	1.0
187.14822	1.2
189.11226	0.6
193.12267	27.9
194.12543	0.5
204.68358	0.5
211.13313	38.5
212.13614	0.5
227.12869	1.1
243.21147	3.0
261.22174	9.3
267.15936	11.0
277.21652	0.5
283.15421	0.4
285.16989	42.9
286.17261	0.7
291.32581	0.5
301.25192	0.6
303.23230	0.6
317.24850	1.9
335.25833	65.8
336.26096	2.1
417.31631	0.5
435.32681	1.5
453.33691	1.6
471.34827	0.9
509.36227	0.5
527.37415	12.9
528.37836	0.7
545.38428	100.0
546.38849	4.0
689.42157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22374	0.8
65.03950	2.5
67.05515	42.3
68.05814	0.7
69.03452	4.3
69.07077	11.3
71.05005	4.1
71.25598	1.2
73.02927	4.3
79.05502	34.8
81.03427	49.0
81.07066	47.3
83.04997	11.9
83.08627	17.6
85.02917	28.7
85.06551	2.2
91.03974	6.8
91.05492	33.0
93.07056	32.8
95.04987	19.5
95.08616	27.6
96.16208	0.7
97.02905	8.6
97.06528	3.6
97.10187	5.4
99.04462	0.9
99.08089	1.1
105.07043	22.9
107.04968	5.4
107.05584	0.8
107.08615	17.1
109.02959	0.7
109.06512	4.2
109.10175	11.5
111.04456	1.8
111.08092	7.5
113.06018	2.2
114.80479	0.7
117.07009	5.1
119.08595	20.4
121.06528	1.5
121.10150	17.6
123.08082	3.1
123.11721	3.8
125.09637	1.9
127.03933	3.2
129.07027	8.9
131.08591	14.5
133.06520	2.4
133.10139	14.4
135.11711	6.3
137.09642	2.2
137.13297	1.1
141.07019	1.1
142.07784	3.2
143.08578	0.7
145.04990	2.8
145.07538	0.8
145.10136	6.3
147.08061	3.1
147.11694	13.3
149.09647	4.6
149.13274	3.8
151.11256	0.8
157.10147	11.1
159.11661	3.7
161.13240	1.9
163.06024	3.7
163.14848	1.9
165.12802	2.7
171.11769	1.0
173.13306	3.5
175.11229	9.9
175.14877	1.5
185.13289	1.0
189.11209	1.6
193.12270	38.6
211.13318	60.6
212.13725	1.4
229.14415	0.8
232.06148	0.8
243.21098	3.6
261.22147	10.1
264.04129	0.7
267.15964	17.3
269.17435	1.1
285.16992	70.8
301.25311	1.5
313.24911	0.7
317.24698	2.1
333.24298	0.9
335.25845	62.0
336.26205	2.4
376.54684	0.8
417.31555	0.8
435.32822	3.3
441.70709	0.7
453.33820	1.7
471.34625	1.9
527.37482	17.5
528.37927	1.4
545.38422	100.0
546.38879	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	904.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	1.2
67.05514	26.8
69.03435	2.6
69.07074	6.3
71.04988	3.3
71.55507	0.9
73.02937	1.2
77.03901	0.8
79.05505	19.1
81.02921	1.0
81.03428	25.2
81.07066	29.3
83.04980	5.5
83.08637	10.1
85.02914	13.5
85.06573	0.9
88.19490	0.7
91.03954	2.5
91.05489	15.7
93.07055	19.1
93.07629	1.1
95.04984	12.1
95.08624	17.5
97.02907	5.6
97.06554	2.0
97.10178	3.2
99.04441	1.0
103.03544	0.8
105.07040	11.1
107.04972	1.8
107.08608	11.8
108.09772	0.7
109.06541	2.6
109.10165	8.2
111.04442	1.3
111.08105	4.6
113.06046	0.8
117.07029	2.7
119.08600	9.4
121.10158	10.8
123.08092	2.0
123.11729	2.4
125.09683	0.8
127.03923	0.9
129.07001	3.9
131.08560	7.1
133.06537	1.4
133.10159	6.2
135.11705	5.8
135.91560	0.7
137.09631	1.4
137.13249	1.1
145.04994	1.2
145.10097	4.1
146.08189	1.0
147.08070	1.1
147.11707	7.4
149.09615	3.6
149.13260	2.8
157.10152	6.8
159.11751	2.7
161.13319	1.3
163.06021	1.4
163.11243	2.4
165.12767	1.7
173.13342	2.0
175.11198	6.1
175.14824	1.1
189.11336	1.0
193.12273	18.3
211.13318	22.1
211.15265	1.3
227.12831	2.5
243.21129	1.3
261.22180	5.4
267.15912	5.7
283.15567	2.0
284.15875	1.2
285.17007	25.8
286.17374	0.8
301.17206	0.7
313.56418	0.9
317.24817	1.0
335.25845	44.7
336.26248	2.3
337.26968	0.9
358.41473	0.7
404.59787	0.8
453.34238	1.8
527.37451	8.2
543.36816	1.2
544.37476	1.6
545.38428	100.0
546.38910	3.2
563.39697	0.8
600.52142	0.8
791.06531	0.8
904.49976	2.2
905.50995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.9
67.05505	1.0
69.03444	2.4
69.41929	0.8
69.42339	2.2
70.06580	1.3
71.04964	0.4
73.02909	0.8
79.05486	1.7
80.05008	0.6
81.03439	3.5
81.07056	0.7
82.06568	0.5
85.02913	2.8
87.00826	1.5
89.03896	1.5
91.05470	0.9
93.05785	0.5
93.07041	1.0
94.06581	2.9
95.04970	1.0
95.07336	1.2
96.04500	0.4
96.08136	3.6
97.02898	3.4
97.06529	1.6
98.20783	1.0
98.56138	0.4
98.97568	0.6
99.04449	1.1
105.01844	1.3
106.06564	0.5
107.07350	0.8
108.04536	0.6
108.08131	5.0
109.02889	5.9
110.09688	4.8
116.04980	4.0
117.03313	0.4
118.68316	0.4
120.04446	0.7
120.08109	4.7
122.06042	9.3
122.09652	1.2
124.07594	3.9
127.03915	4.5
132.04419	0.5
132.08083	0.5
134.05978	1.0
136.07590	11.7
137.08365	0.8
138.09152	6.8
144.04457	7.9
144.08020	0.6
145.02930	0.5
145.05017	1.0
145.08833	0.4
146.06047	4.6
148.07631	3.0
150.05481	1.5
150.09143	3.9
152.07051	1.4
155.08546	0.5
157.10126	0.5
160.03928	1.3
160.07555	0.7
160.76262	0.4
161.07127	0.7
162.05528	4.3
163.03958	2.1
164.07108	0.6
166.08655	21.4
170.09689	3.0
172.03951	46.9
172.09938	0.6
172.11230	1.0
173.04289	0.6
174.05501	1.8
174.09149	0.8
175.08661	1.4
178.08574	0.5
182.09709	0.5
183.06783	0.6
184.07512	0.5
184.11197	0.8
186.09218	0.5
187.12325	4.1
188.10794	0.5
190.05011	10.5
192.06581	1.2
194.08087	0.7
197.10756	0.8
198.09166	21.3
199.12268	0.5
200.07085	0.5
200.09409	1.7
200.10774	1.4
201.10420	0.4
204.06581	76.1
205.06915	1.5
206.08125	1.0
209.10603	0.4
210.09190	0.5
211.12521	0.5
212.10825	4.5
213.10184	0.8
214.08856	0.5
214.12575	0.4
215.11818	19.7
222.07625	2.2
222.32231	0.5
223.08592	0.5
225.10185	2.0
226.08676	6.6
227.08121	1.0
227.11716	2.9
228.08911	0.7
229.09741	1.2
229.13283	1.4
231.04970	0.8
231.11292	1.0
236.09242	0.5
237.10133	0.7
239.11790	0.9
240.10550	2.1
241.09734	2.3
241.13333	1.6
242.10596	1.1
243.11311	96.6
244.11673	2.2
250.10983	0.5
251.11766	1.4
253.09581	0.6
253.13396	0.6
255.08725	0.8
255.11307	10.1
256.11969	0.6
257.12888	5.6
259.09665	0.7
261.02856	0.4
264.08777	0.5
265.09662	0.7
267.11307	1.0
269.09265	1.8
269.12921	0.6
279.11371	1.7
281.12799	0.6
283.10870	1.2
285.12360	87.0
286.12796	2.9
293.09122	0.5
296.11575	0.5
297.12314	2.1
298.13104	0.6
301.11890	9.3
303.13412	100.0
304.13663	2.6
307.10754	1.5
311.13742	0.9
315.09521	0.7
325.11847	7.8
327.13425	0.8
329.15118	1.2
331.16391	0.5
339.13309	2.5
343.13025	1.8
357.14474	20.6
358.15262	2.3
359.16010	2.5
375.15521	1.0
416.16113	0.5
418.17514	1.2
427.47134	0.5
428.15970	0.8
429.14441	0.6
430.17480	0.8
444.15515	0.4
456.15665	0.8
462.16824	2.7
470.17166	1.2
474.16690	3.3
476.18097	2.5
488.18005	0.8
494.19290	3.5
506.19046	1.0
555.16278	0.9
561.20581	0.6
573.17371	5.8
577.20081	0.8
583.25580	6.1
587.18530	0.8
591.17096	0.5
599.24988	1.7
605.20038	3.2
606.20074	0.5
609.23297	1.2
623.24976	0.8
627.24609	22.7
628.24341	1.3
641.16370	0.7
641.26160	7.8
642.26093	0.8
659.26965	3.5
663.21631	0.5
831.29602	0.6
875.29187	0.6
889.30780	1.4
906.68652	0.7
907.40576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.5
67.05517	3.4
69.03435	3.6
69.07074	0.7
69.53976	0.3
71.01357	0.6
71.04986	0.7
71.25131	0.4
73.02929	3.5
79.05505	2.6
81.03418	2.0
81.07074	3.2
83.08630	0.7
85.02911	5.8
87.04496	0.5
91.03974	2.7
91.04455	0.3
91.05484	2.2
93.07053	3.2
95.04988	0.5
95.08614	2.9
97.02911	5.6
97.06553	0.4
97.10176	0.4
99.04491	0.8
101.02398	1.8
103.03967	0.5
105.07039	1.3
107.04951	0.4
107.08614	1.7
109.02900	0.7
109.10196	0.8
111.08108	0.3
115.03917	0.4
117.07071	0.4
118.81708	0.3
119.08645	1.3
121.10142	1.5
121.31024	0.3
123.11712	0.3
127.03914	1.6
131.00204	0.3
131.08588	0.8
133.10179	0.3
135.11728	1.7
144.72885	0.3
145.05006	0.5
145.10191	1.2
149.13419	0.3
159.11707	0.4
163.11171	1.8
173.13255	0.3
181.72690	0.3
185.04369	0.6
203.05309	0.6
227.12836	1.7
243.08426	2.4
249.11012	7.2
249.13321	0.4
259.08139	0.4
305.13760	0.8
335.25912	1.1
336.26419	0.5
347.09506	2.3
365.10794	1.0
405.13644	5.8
418.36249	0.3
467.18939	5.2
519.29425	6.8
547.39349	0.5
548.39764	0.6
629.23846	2.9
681.34601	7.9
745.41351	1.5
786.56659	0.3
907.46686	100.0
908.47101	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	909.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	3.4
69.03436	4.4
69.07090	0.6
70.06597	2.2
71.01347	0.3
71.05010	0.5
73.02929	4.3
78.61241	0.2
79.05502	2.7
81.03434	2.6
81.07063	3.2
83.01368	0.3
83.04977	0.5
83.08641	0.7
85.02916	6.9
87.04459	0.3
91.03966	4.1
91.05492	2.3
93.07063	3.6
95.04981	0.9
95.08624	2.2
97.02911	6.7
97.03519	0.5
97.06555	0.4
99.04481	1.2
103.03946	0.3
105.07023	1.7
107.04985	0.4
107.08636	1.4
109.02895	0.8
109.10179	0.8
115.03925	0.4
117.07039	0.4
119.08625	0.8
121.10158	1.3
122.11004	0.3
127.03945	2.2
128.06297	0.3
131.08612	1.2
133.10187	0.8
135.11774	1.0
139.13618	0.6
145.05046	0.4
145.10213	0.3
147.11757	0.5
149.09702	0.3
159.11771	0.3
168.13943	0.5
169.99763	0.3
185.04327	0.7
193.12386	0.4
203.05455	0.5
211.13361	0.3
243.08470	2.1
251.12584	1.2
261.22314	0.3
265.41324	0.3
269.12558	0.8
335.26086	1.0
347.09619	1.9
363.08987	0.5
365.10910	0.9
405.13718	5.8
405.18530	0.4
469.20667	3.7
519.29327	4.4
607.29626	0.4
631.25739	2.6
632.78119	0.3
681.34521	7.0
721.38086	0.3
747.42780	1.3
909.48254	100.0
910.48590	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	909.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.4
69.03437	3.5
69.07064	0.8
70.06590	2.5
71.01362	0.7
71.04993	0.7
72.61758	0.5
73.02925	4.7
79.05503	2.4
81.03423	3.2
81.07055	2.8
83.08653	1.1
85.02918	6.9
91.03962	3.6
91.05488	2.8
93.07066	3.2
94.39943	0.5
95.04984	1.3
95.08624	2.0
97.02906	6.1
98.20634	0.8
99.04482	0.8
101.02401	1.7
103.03961	0.4
105.07076	1.4
107.08624	1.7
109.02890	1.1
109.10168	0.8
117.07014	0.5
119.08604	1.0
121.10157	1.5
123.11584	0.4
126.47523	0.5
127.03947	1.7
131.08595	1.2
133.10141	0.8
135.11787	0.5
145.10124	0.7
147.11728	0.8
157.10255	0.8
185.04324	0.8
193.12315	1.1
203.05257	0.6
243.08504	1.5
244.89088	0.4
250.26483	0.6
251.12553	0.6
269.12476	0.7
285.17157	0.4
301.20108	0.7
302.90140	0.5
307.15198	0.8
347.09656	2.0
363.09137	0.7
365.10834	0.6
405.13678	5.3
469.20483	6.2
519.29236	3.5
631.25781	5.8
643.41040	0.5
681.34039	3.5
739.37567	0.6
747.43616	1.4
909.48224	100.0
910.48407	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	911.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64073	0.8
69.64473	2.2
71.95266	0.6
73.03154	0.4
74.97635	0.4
82.40237	0.4
84.96036	3.5
88.61945	0.4
90.45929	0.4
98.20752	0.8
98.97589	13.1
110.75789	0.4
110.97562	1.1
112.99129	3.1
115.00681	2.1
116.97952	0.4
116.98637	5.2
117.02150	0.4
119.01781	0.6
124.99155	0.4
127.00687	19.9
128.98575	1.3
129.02254	0.6
129.62627	0.3
131.00174	3.8
133.01747	1.0
134.99681	1.9
137.02737	1.1
140.98659	1.1
141.02258	0.5
143.00150	0.9
145.01740	48.7
146.99559	0.5
147.03264	0.8
147.52139	0.4
149.01230	1.2
155.03778	0.9
158.98466	0.5
158.99686	6.6
159.03270	1.0
161.01172	0.4
163.02798	39.6
167.03421	0.7
168.03358	1.5
169.05424	0.6
170.99564	0.4
173.01259	1.6
175.06401	0.5
177.00731	6.1
181.03839	2.6
183.03285	1.2
185.04761	0.6
186.04362	0.7
187.01236	0.5
187.02797	6.0
187.06395	1.3
191.02357	1.8
191.07394	0.6
191.48146	0.5
195.01707	0.5
199.06496	1.0
201.00670	0.5
201.04422	3.1
205.03885	4.0
209.06534	0.8
209.08475	8.4
211.06433	0.5
217.07458	0.6
219.01813	1.5
219.05380	2.2
227.09566	29.6
229.07503	0.4
229.10991	0.4
237.02849	1.4
237.08017	3.1
241.07483	0.4
245.10635	14.7
250.11200	1.1
251.09543	4.4
255.09050	11.0
257.10669	0.4
263.11606	0.4
269.10626	97.5
270.10956	1.6
273.10196	2.7
281.10660	3.8
283.12186	15.0
287.11664	13.0
291.17426	0.4
295.12115	0.5
297.10074	1.4
301.13354	1.0
310.13275	1.2
311.11673	21.0
312.11926	0.6
323.11935	0.5
329.12698	2.8
341.12656	3.9
343.14429	2.1
371.13602	2.3
389.14859	31.5
407.15979	5.7
431.15930	100.0
432.16290	2.7
448.58344	0.4
449.17050	4.2
475.14929	39.8
476.15106	0.7
556.57324	0.5
587.08350	0.8
676.05432	0.4
717.06610	0.4
749.21088	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	914.569
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13979	0.6
67.05510	12.0
67.49170	0.5
69.03408	2.0
69.07087	5.9
71.04961	1.0
71.08642	16.3
72.18251	0.5
73.02888	1.6
78.91131	0.7
79.05505	5.9
81.03426	49.2
81.06586	0.8
81.07063	15.0
81.95385	0.5
83.04952	2.3
83.08630	15.7
85.02477	0.5
85.02911	5.0
85.10194	8.9
89.06014	1.5
91.03960	3.1
91.04992	0.6
91.05495	9.1
93.07054	4.4
95.04981	14.5
95.08615	13.0
97.02917	3.2
97.06548	0.7
97.10193	3.9
98.21503	1.3
99.04408	0.7
99.08094	0.6
99.11684	0.7
103.07581	1.0
104.16284	0.6
105.07056	6.5
107.04990	2.7
107.08566	2.2
107.27428	0.5
109.06490	2.0
109.10167	6.0
111.04424	1.0
111.08077	4.9
117.07010	0.9
119.08591	5.7
121.06496	1.5
121.10175	3.4
123.04426	1.2
123.11708	2.6
127.03923	1.6
129.07018	4.9
131.08578	5.0
133.06461	1.9
133.10161	2.8
135.11667	0.6
137.09561	0.9
137.13225	0.9
142.07738	1.6
145.04936	1.3
145.10104	1.0
147.04361	0.9
147.08118	2.6
147.11690	5.0
149.09627	2.9
157.10156	5.4
163.05988	2.1
165.12741	0.7
175.11179	6.2
193.12260	20.1
211.13211	0.7
235.13297	1.9
239.23753	1.2
249.14853	1.1
257.24719	1.9
259.13220	1.1
267.15936	100.0
268.16299	1.6
273.14755	1.3
301.14450	1.7
309.16940	3.3
313.27396	92.2
314.27713	2.1
319.15204	0.6
333.16885	0.8
505.38940	83.2
506.39304	3.6
523.40137	1.9
547.39899	5.0
589.40967	1.0
601.40894	2.5
613.40900	1.9
631.41498	2.5
649.43085	1.3
683.30884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.3
67.05510	40.6
69.03413	2.9
69.07076	12.4
70.99377	1.5
71.01360	1.8
71.04994	2.7
71.08638	20.4
73.02919	1.8
75.04475	0.7
79.05499	12.4
80.60529	0.6
81.03421	3.7
81.07065	24.5
83.04983	3.4
83.08624	16.9
85.02910	21.3
85.06538	1.8
85.10185	12.0
87.04467	6.0
89.06029	1.5
91.03951	4.7
91.04426	0.7
91.05487	6.2
93.07056	6.5
95.04978	2.2
95.08613	19.8
97.02906	7.6
97.06544	1.0
97.10176	21.6
99.11743	1.0
103.03953	1.6
103.07607	0.9
105.06987	1.7
107.04966	1.8
107.08589	9.1
109.02839	0.9
109.06509	0.8
109.10162	35.0
109.10922	1.7
111.04488	1.0
111.08083	2.2
111.11710	1.2
112.28104	0.7
117.06967	1.6
118.16347	0.7
119.08582	2.9
121.06509	0.8
121.10147	2.4
123.11716	3.6
125.09647	19.0
127.03929	1.9
131.08598	1.1
133.10138	1.3
135.11723	2.4
137.09598	1.8
137.13255	0.9
143.10686	3.3
145.04893	1.5
145.10138	2.1
153.12769	1.7
153.63348	0.6
155.10701	3.7
155.11734	0.6
163.06012	2.2
163.11220	3.4
173.09514	0.7
173.11761	9.8
191.10738	2.0
199.13319	12.1
209.11717	3.1
223.13228	0.7
227.12788	11.4
229.14368	48.5
239.23721	4.7
245.13731	0.7
257.13925	1.2
257.24713	1.9
265.14279	1.0
265.64783	0.7
267.15924	2.4
283.15485	4.2
297.17172	0.9
299.14780	1.3
301.12946	1.1
301.16467	31.1
313.27380	100.0
314.27698	2.6
319.17490	2.1
335.25723	1.4
341.26910	2.0
437.36304	5.5
455.37378	17.2
463.21448	0.8
467.37384	27.5
468.38074	1.3
521.38464	2.5
539.39484	17.6
539.47601	1.0
540.39935	1.0
557.40289	5.3
685.61145	0.9
701.44867	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.2
67.05511	39.5
68.68214	0.5
69.03444	2.3
69.06726	0.6
69.07076	9.2
70.71802	1.0
70.72133	0.6
71.01346	1.1
71.05004	2.4
71.08640	18.3
71.28391	0.5
73.02907	2.0
79.05498	10.5
81.03420	4.0
81.07064	17.7
81.53280	0.4
83.04999	3.3
83.08627	13.6
85.02430	1.0
85.02913	14.7
85.06528	1.8
85.10188	10.6
87.04483	4.4
88.42453	0.5
89.06037	1.2
91.03963	4.0
91.05490	4.8
93.07060	6.2
95.04962	1.7
95.08617	19.0
96.04517	0.6
97.02890	5.5
97.06531	2.1
97.10181	16.4
99.08092	1.1
103.03950	1.1
103.07581	0.8
105.07031	1.5
107.04921	1.7
107.08591	6.9
109.10165	36.7
110.10535	0.6
111.04483	0.5
111.08071	1.6
112.68122	0.5
115.03928	0.5
117.07023	1.0
117.43738	0.5
119.08589	3.1
121.10132	1.7
122.56074	0.5
123.08118	0.6
123.11702	2.7
125.08742	1.0
125.09644	14.2
125.98783	0.4
127.03909	2.2
129.06972	0.5
131.08580	1.7
133.10132	1.4
135.11676	1.7
137.09613	1.4
143.10648	3.3
145.04956	1.9
145.06328	0.5
145.10132	1.9
153.12735	1.2
155.10667	2.2
163.06010	2.2
163.11212	2.3
173.09573	0.6
173.11748	9.6
181.12250	1.4
191.10695	1.5
199.13307	9.3
209.11714	2.9
217.14455	0.8
223.13348	1.1
227.12793	6.5
229.14369	57.3
230.14731	1.1
239.23700	4.3
257.13950	1.0
257.24783	1.6
265.14471	0.7
267.15900	2.1
283.15475	4.8
297.16949	1.9
299.14932	1.2
300.15451	0.9
301.16486	27.0
313.27390	100.0
314.27655	3.2
319.17667	0.8
335.25815	1.5
341.26956	1.9
437.36374	5.9
455.37369	14.1
463.21579	1.2
467.37375	34.8
468.37616	0.8
489.35629	0.8
505.38861	1.6
521.38336	2.1
539.39429	17.9
539.47723	0.9
551.81805	0.5
557.39984	3.3
640.04169	0.5
701.44324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.7
67.05512	47.7
69.03427	2.6
69.07077	12.3
69.98056	3.5
71.01330	1.5
71.04995	2.4
71.08640	23.1
73.02912	2.7
75.04486	0.8
79.05502	16.1
81.03423	5.2
81.07066	25.1
83.04985	3.8
83.08626	18.3
85.02912	18.6
85.06560	1.7
85.10192	12.8
87.04483	4.9
87.33406	0.8
89.06069	1.4
91.03979	5.0
91.05489	7.4
93.07056	5.9
95.04991	2.1
95.08614	21.6
97.02912	6.2
97.06532	2.7
97.10180	24.2
99.04461	1.2
103.03950	2.0
103.07595	1.7
105.07050	1.9
107.04974	2.2
107.08601	9.6
109.10165	35.9
110.10501	0.9
111.04433	0.8
111.08089	1.9
117.07055	0.9
119.08604	3.8
121.10143	2.0
123.11724	2.8
125.09642	18.9
127.03938	1.6
131.08537	0.8
133.10115	1.2
135.11697	2.2
137.09633	1.9
137.13268	1.0
143.10699	3.3
145.04970	1.2
145.10144	2.0
146.01247	0.7
153.12772	2.4
155.10704	2.8
163.05972	0.9
163.11232	4.3
173.09587	1.2
173.11780	10.7
181.12230	1.0
191.10716	1.9
199.13316	13.7
209.11783	2.9
217.14413	0.8
221.22612	0.8
227.12787	13.9
227.14908	1.1
229.14377	44.6
239.23665	3.9
257.13766	0.8
257.24786	2.4
267.15848	2.1
283.15424	5.2
301.16486	39.5
313.27399	100.0
314.27725	3.4
319.17514	3.1
341.26996	1.8
375.32867	0.7
437.36218	8.4
455.37381	18.7
463.21701	1.3
467.37427	28.0
468.37518	1.1
493.70667	0.8
505.38940	1.5
521.38562	2.5
539.39478	21.8
557.40466	8.2
653.41986	0.7
701.44025	1.4
917.44855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.1
67.05177	1.0
67.05509	16.9
69.03432	3.8
69.07073	4.1
71.04628	0.6
71.04985	3.9
73.02905	0.8
77.03945	0.8
79.05068	1.1
79.05499	19.9
81.03424	49.0
81.07059	18.9
83.04991	5.5
83.08630	15.4
85.02925	2.9
85.06540	1.5
91.03951	1.1
91.05490	17.6
93.06478	0.6
93.07053	15.2
95.04978	22.4
95.08617	7.9
97.02868	2.7
97.06537	5.0
97.10180	14.7
99.04407	0.7
103.05485	0.8
105.04494	0.6
105.07034	11.5
107.04286	1.1
107.04967	12.8
107.08615	10.4
109.02877	1.0
109.06525	7.3
109.10176	5.7
111.04434	2.1
111.08089	4.7
113.05981	1.1
115.05444	1.2
117.07031	5.3
119.04966	0.7
119.08591	9.1
121.06516	11.0
121.10141	7.2
123.04433	2.7
123.08113	3.1
123.08868	0.5
123.11684	0.6
125.06014	0.9
125.09641	13.9
127.03906	0.7
128.06261	1.0
129.07016	8.0
131.04938	1.7
131.08591	9.4
133.06534	4.0
133.10149	4.2
135.04442	0.8
135.08069	5.1
135.11682	2.3
137.06001	0.9
137.09622	1.0
139.11208	0.7
141.07010	2.4
142.07774	1.6
143.08554	2.3
143.10713	0.6
145.04848	0.5
145.06499	6.2
145.10147	4.4
147.04393	1.9
147.08083	6.5
147.11688	6.3
149.06000	0.9
149.09607	5.3
151.07532	0.6
153.09103	3.5
153.12770	1.0
155.08531	1.9
157.06517	1.6
157.10135	7.7
159.08035	2.3
159.11674	1.4
161.05992	1.3
161.09642	1.5
163.03937	1.5
163.11211	4.6
165.09145	0.6
165.12767	2.1
167.10699	1.4
169.10124	1.4
171.08058	1.7
171.10306	1.0
171.11719	3.0
173.09660	1.8
173.13246	1.2
175.07571	0.7
175.11171	5.7
177.12732	1.3
183.08058	1.0
183.11653	0.7
185.09558	1.6
185.13342	0.9
187.11172	1.1
187.14828	1.3
189.09431	1.0
189.11224	5.8
189.12793	1.6
191.10641	0.8
191.14325	1.7
193.12265	17.7
195.08052	0.8
195.11711	1.9
197.09590	0.8
197.13269	1.6
199.11143	2.2
199.13231	1.0
201.12727	0.9
205.09709	0.6
205.12267	1.5
207.13789	0.5
209.13286	0.8
211.11241	1.2
211.13210	1.3
213.12810	1.3
215.10654	0.6
215.14334	1.8
217.12213	1.8
219.13818	2.6
223.11172	1.1
223.13219	0.8
225.12746	0.9
227.12666	1.4
231.13730	0.9
233.15295	4.1
235.13318	1.7
237.12787	1.6
237.14903	1.0
239.14352	1.0
243.13817	1.0
249.14911	2.2
255.13869	1.3
259.09680	1.0
259.13293	1.7
267.15945	48.0
268.16217	0.7
273.14819	8.6
273.17349	0.8
283.16879	0.6
287.16425	0.8
291.15878	1.0
293.17642	1.3
309.16895	1.4
321.22028	0.9
339.23254	2.5
340.02328	0.6
349.21695	4.9
357.24228	2.6
367.22720	12.1
385.23755	22.0
386.23846	0.8
403.24835	5.9
441.26389	8.8
459.27460	100.0
460.27802	3.5
477.28519	86.7
478.28925	4.1
491.30154	11.7
501.28421	5.3
509.31125	5.2
513.28491	1.6
519.29193	1.0
531.30267	1.4
543.29340	1.8
555.29706	1.3
567.29565	5.4
573.30304	1.0
585.30591	1.6
603.31567	1.1
692.01660	0.7
848.25317	0.7
947.24994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47722	1.0
65.03934	1.6
67.05509	38.2
69.03416	3.7
69.07072	8.6
70.06581	2.1
71.01374	1.1
71.04538	0.7
71.04990	2.4
71.54945	1.4
73.02906	3.8
79.05070	1.8
79.05497	27.7
81.03429	4.6
81.07062	44.5
83.04967	3.3
83.08620	13.7
85.02914	10.7
85.06542	2.2
91.03967	8.0
91.05483	30.8
93.06480	1.9
93.07047	34.3
95.01354	0.9
95.04967	5.4
95.08611	29.2
97.02892	11.2
97.06509	3.3
97.10173	3.1
99.00812	15.2
99.04430	1.0
99.08070	1.3
100.35134	0.9
103.05415	1.3
105.07031	21.3
107.04974	5.0
107.08604	18.8
109.02894	11.3
109.06496	3.4
109.10152	14.4
111.04494	1.2
111.08055	3.8
113.06004	1.1
115.03915	3.4
117.07009	5.9
119.08602	14.6
121.06528	6.7
121.10159	11.9
123.04430	1.9
123.08058	1.9
123.11732	7.6
125.09639	1.4
127.03957	4.4
128.06177	1.9
129.06999	2.1
131.08577	9.1
133.06477	2.0
133.09116	1.8
133.10138	38.0
133.85915	1.1
134.10555	1.0
135.08076	1.8
135.11705	10.1
137.05997	1.6
137.09581	1.0
137.13217	1.2
139.07521	2.8
143.08563	4.8
145.04930	2.9
145.10130	4.5
147.11646	3.9
149.13234	3.9
151.11179	10.5
157.34694	0.9
159.11684	2.9
161.09619	17.7
161.13255	3.2
163.05986	2.6
163.11179	1.6
163.14766	2.4
171.08099	4.3
173.13277	4.1
175.14879	1.6
177.16428	2.3
179.10701	8.7
183.11656	0.9
186.31139	1.0
187.14813	2.1
189.09116	8.9
197.11716	2.8
207.10181	2.8
225.11227	10.7
227.12794	2.4
243.12222	2.7
243.21097	5.2
248.30540	0.8
261.22174	17.6
277.21591	1.3
279.23071	1.1
281.13846	2.8
299.14908	100.0
300.15256	1.9
315.23187	3.3
317.24750	2.0
335.25803	70.6
336.26169	1.9
421.30737	1.4
439.31931	1.4
449.30634	2.4
467.31467	6.0
485.32544	2.8
513.35535	4.2
515.37506	1.3
531.36542	2.2
541.35168	11.0
559.36346	37.2
560.36200	1.8
563.90369	1.0
577.37134	3.3
685.94910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.6
67.05513	45.0
69.03439	2.8
69.07076	9.3
69.43729	1.6
69.44147	2.7
70.06592	2.1
70.96519	0.5
71.01372	0.6
71.04992	2.0
71.08620	0.8
73.02917	3.4
77.03904	0.9
79.05503	29.2
81.03413	4.4
81.07067	47.8
83.05016	3.4
83.08630	12.1
85.02913	12.9
85.06547	2.6
91.03974	6.6
91.05491	31.3
93.07055	40.7
94.65434	0.6
95.04979	4.2
95.08619	31.9
96.91578	0.5
97.02912	9.4
97.06546	4.1
97.10170	2.7
98.19304	0.5
99.00832	14.9
99.04470	1.8
99.08090	1.5
101.02359	0.7
103.05492	1.5
105.04536	1.2
105.07045	22.6
107.04975	6.3
107.08611	24.3
109.02889	11.1
109.06556	3.5
109.10176	17.0
111.04439	1.2
111.08101	3.5
113.09558	0.7
115.03938	2.0
117.07033	5.8
119.04988	0.8
119.07790	1.1
119.08601	16.6
121.06549	5.6
121.10160	17.4
123.04449	0.8
123.08091	1.7
123.11738	5.8
125.09688	1.1
127.03928	5.1
127.07559	0.6
128.06236	1.6
129.07051	1.2
131.08575	8.5
133.06494	1.1
133.10147	38.5
135.08061	1.6
135.11719	10.2
136.12233	0.7
137.06024	1.6
137.09625	2.0
137.13284	1.8
139.07550	2.5
143.08577	4.6
144.99072	0.5
145.04956	2.9
145.06564	0.7
145.10136	5.9
147.08058	1.2
147.11699	4.0
149.13287	5.7
151.11189	10.5
153.07018	1.0
157.10172	1.0
159.11726	5.1
161.08284	1.1
161.09630	17.1
161.13261	3.7
163.06065	3.2
163.11237	1.5
163.14790	3.5
165.09181	0.9
165.12914	0.7
169.10089	0.7
171.08073	3.3
171.11545	0.7
173.13284	4.5
175.14839	1.7
177.16409	1.2
179.10692	9.2
187.14888	1.8
189.09120	7.2
197.11797	1.7
201.16374	0.7
207.10173	2.4
225.11270	12.2
227.12827	1.4
233.22690	0.7
242.75534	0.7
243.12386	3.1
243.21057	7.6
243.23320	0.8
253.09103	0.7
259.20438	0.7
261.22174	22.8
269.22864	0.7
277.21640	1.9
279.23380	0.7
281.13971	4.0
283.15601	1.1
287.23825	0.7
299.14926	89.1
300.15259	1.9
315.23181	3.3
317.24762	3.9
333.24283	1.1
335.25833	100.0
336.26065	3.4
413.92355	0.7
421.31198	1.1
439.31982	1.5
449.30334	2.1
457.32913	0.8
467.31665	6.5
484.28613	0.6
485.32581	3.3
513.35822	4.2
515.37561	1.3
523.34076	1.2
531.36774	3.5
541.35352	12.5
559.36359	63.2
560.36560	2.6
577.37256	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	919.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.3
69.03442	2.5
69.07074	0.4
69.20709	2.2
71.01357	0.5
71.05007	0.7
71.08634	1.1
73.02930	3.3
79.05517	1.2
81.03430	2.6
81.07060	1.6
83.08640	1.1
85.02912	4.5
85.10200	0.8
87.04491	0.5
91.03970	3.4
91.05489	1.2
93.07052	1.2
95.04991	0.8
95.08619	1.3
97.02901	4.3
97.06560	0.3
97.10182	0.3
99.04478	0.7
101.02391	1.4
103.03963	0.2
105.07046	1.1
107.05002	0.5
107.08602	0.7
109.02902	0.8
109.06518	0.3
109.10164	0.5
115.03953	0.6
119.08591	0.5
121.10197	0.8
127.03944	1.5
129.07048	0.3
131.08614	0.9
133.10162	0.4
136.61572	0.2
147.11720	0.4
149.09679	0.8
154.05797	0.2
157.10110	0.4
159.06601	0.3
175.11281	0.5
185.04256	0.5
193.12350	1.1
203.05374	0.8
225.14828	0.3
243.08487	2.0
259.07932	0.4
267.16052	0.7
282.75812	0.2
283.15088	2.1
313.27496	0.8
339.17862	0.9
347.09543	2.8
363.08829	0.4
365.10791	1.0
405.13730	5.4
469.20670	0.6
474.92291	0.3
497.30884	4.7
501.23141	9.1
603.26422	0.3
608.47278	0.3
631.26117	0.3
659.36243	4.8
663.28448	9.1
757.47095	2.8
758.47504	0.4
919.52423	100.0
920.52417	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	920.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.3
67.05509	66.9
69.03426	3.4
69.07072	17.7
70.06596	1.9
71.01345	3.7
71.05008	6.2
71.08619	1.1
71.55415	1.7
73.02919	4.8
77.03906	1.5
79.05497	59.1
81.03417	20.5
81.07061	64.4
83.01332	2.4
83.04993	14.7
83.08625	13.2
85.02908	22.2
85.06538	2.1
91.03958	8.0
91.05482	31.1
91.06012	2.2
93.07049	73.1
95.04970	10.6
95.08616	47.8
95.09239	2.4
97.02888	18.8
97.06538	12.3
97.10150	6.3
98.97614	2.2
99.04454	3.3
99.08055	1.6
100.61879	1.4
105.04524	1.9
105.07040	25.1
107.04967	15.5
107.08599	39.1
109.06516	4.3
109.09441	2.7
109.10155	25.3
111.04462	8.7
111.08086	7.2
113.06018	2.2
117.07016	14.4
119.07794	1.9
119.08594	21.9
121.06501	6.0
121.10152	29.3
123.08092	8.0
123.11697	3.9
125.06055	1.9
125.09618	3.1
127.03934	2.2
129.06995	5.1
130.07828	2.2
131.08588	17.5
133.10135	13.9
135.08058	4.1
135.11705	28.8
137.09625	2.8
137.13275	1.6
139.07552	1.8
141.06927	1.3
143.08577	3.7
145.04987	4.4
145.06525	2.7
145.10139	27.4
147.08041	4.0
147.11682	5.8
149.09612	3.0
149.13260	6.7
151.11172	1.3
153.12746	16.0
155.08490	3.0
157.10129	1.8
159.11678	6.3
161.13271	5.8
163.06049	3.6
163.11189	34.4
163.14920	3.0
163.44620	1.4
167.10484	1.2
169.10141	1.4
173.09624	7.5
173.13252	7.2
175.14752	2.2
181.12267	8.5
185.13249	2.0
187.14828	3.0
191.10710	9.5
209.11714	24.3
227.12772	20.8
229.14328	1.6
241.19572	1.9
243.21149	4.4
261.22159	14.6
262.22568	1.4
265.14386	6.7
267.09070	1.6
269.10507	1.3
283.15408	34.9
299.23941	1.7
301.16483	51.8
317.24838	4.0
333.24423	1.8
335.25815	84.9
336.26227	2.2
433.30988	2.5
451.32016	5.8
469.33032	4.9
525.35767	15.3
535.73920	2.6
543.36816	73.4
544.36963	2.5
544.74286	1.8
561.37891	100.0
562.37878	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	922.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19218	1.0
65.03936	2.2
66.30924	0.9
67.05505	58.1
69.03419	4.5
69.06730	1.3
69.07071	12.5
70.04879	4.5
71.04980	4.1
73.02915	4.0
79.05493	50.1
81.03419	88.0
81.07058	66.7
83.04980	6.9
83.08618	23.0
85.02906	11.4
85.06556	3.8
91.03967	5.5
91.05479	41.9
93.07048	48.2
95.04369	1.8
95.04969	29.8
95.08610	46.8
97.02885	7.7
97.06519	5.4
97.10167	10.1
99.04480	1.4
99.08080	1.6
105.04550	2.3
105.07030	34.1
107.04952	7.9
107.08595	29.5
107.58994	0.9
109.06524	4.9
109.10156	22.9
110.42132	0.9
111.04418	1.3
111.08083	7.4
115.05420	1.7
117.06998	9.1
119.04929	1.9
119.08587	25.5
121.06503	3.8
121.10147	27.5
122.46159	1.0
123.04432	2.9
123.08055	3.9
123.11701	9.9
125.09620	6.5
127.03912	2.3
129.06996	11.1
131.08566	23.7
133.06485	3.1
133.10135	19.1
135.08040	2.9
135.11696	15.7
137.06004	1.2
137.09624	3.9
137.13274	2.5
139.11223	1.6
142.07816	2.3
143.08574	2.8
145.04953	2.5
145.06458	1.3
145.10127	13.6
147.08040	4.5
147.11684	13.5
148.04335	1.1
149.09616	6.0
149.13263	7.6
152.47911	1.1
155.08521	1.7
157.10155	10.8
159.11688	9.4
161.09618	1.1
161.13216	6.9
163.06073	5.1
163.11191	3.8
163.14847	4.0
165.12813	2.9
169.10101	1.8
171.11659	3.2
173.05894	1.1
173.13235	6.8
175.11176	8.3
175.14810	3.5
175.27266	1.0
177.12741	1.7
183.11765	1.3
185.13264	2.6
187.07452	1.1
187.14833	2.9
189.11203	3.3
189.12752	1.7
193.12239	22.2
197.13371	1.2
199.14789	1.5
201.16341	1.2
205.15987	1.1
207.13791	1.1
211.13231	2.5
221.15526	1.2
227.12769	11.6
229.14343	1.3
233.15395	1.3
233.22577	1.6
235.13252	2.8
241.14288	1.2
243.21104	7.7
249.14790	2.9
259.13297	2.8
261.18631	1.6
261.22162	23.4
267.15924	95.3
268.16309	1.5
273.14780	1.0
279.23135	2.1
283.24094	1.2
285.22272	1.5
287.24017	1.4
291.19696	1.0
292.50851	1.2
299.23703	1.4
301.14218	2.4
301.22284	1.3
301.25217	5.8
309.17029	4.7
309.20407	1.2
317.24796	3.8
327.23022	1.2
333.24231	1.4
335.25812	100.0
336.25919	3.3
343.30798	1.0
375.17990	1.7
417.26352	1.4
421.25934	2.8
435.27216	2.8
435.32571	7.4
449.28610	1.3
453.33759	11.4
471.34879	6.8
509.36148	2.8
527.37329	76.1
528.37549	4.4
543.36407	1.2
545.38373	78.2
546.38654	3.8
563.39520	5.1
569.38440	10.2
611.39404	1.9
623.39087	4.0
635.39587	5.2
653.40149	3.4
671.40503	2.3
847.24811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.4
67.01865	0.2
67.05497	0.2
68.99790	0.4
69.03436	4.2
70.06567	0.2
70.72576	0.5
71.05008	0.9
73.02911	0.9
75.04446	0.5
81.03428	5.0
83.04994	1.1
85.02915	8.8
95.01338	0.3
95.04973	0.3
96.02160	0.2
96.08132	0.2
97.02905	5.4
97.06497	0.2
98.03660	0.4
99.04471	6.7
103.03293	0.3
103.03956	4.6
109.02895	6.2
109.79578	0.1
110.03647	0.3
111.04456	1.7
113.02337	0.5
113.05986	0.5
115.03924	0.2
121.02839	0.6
124.01584	0.2
125.06009	1.9
127.03934	14.1
128.04649	0.4
135.04407	0.7
137.02370	0.4
138.03151	0.1
139.03926	4.7
141.05481	2.7
145.03908	0.3
145.04973	4.4
152.01013	0.3
153.01834	3.5
153.05417	0.4
155.03406	4.7
156.04250	0.2
161.02361	0.3
163.03925	0.5
163.06000	0.6
167.03334	0.2
169.05006	2.2
170.05765	19.7
171.02939	0.2
171.06557	1.4
181.04979	0.2
182.03630	0.3
187.06039	1.6
190.13979	0.2
197.06203	0.2
199.06128	0.3
203.03476	0.3
205.07123	0.2
210.03116	0.2
211.03836	0.2
213.05400	0.3
227.09224	0.2
229.04982	1.0
241.04863	0.8
242.05759	0.5
253.04918	1.3
253.07152	0.2
254.05789	0.2
257.04483	12.4
258.05286	4.9
259.06082	0.5
259.09668	0.2
269.04501	0.8
270.05276	0.4
271.05725	0.2
271.08234	0.9
272.12485	0.2
278.05804	0.4
279.06619	0.4
283.06033	0.2
284.03339	0.2
285.03986	1.1
286.04745	15.0
287.05530	50.5
288.05893	1.2
289.09293	0.3
291.06595	0.2
295.06027	0.4
297.04013	1.3
299.05618	0.2
306.05252	1.3
307.06134	0.9
308.06784	0.4
310.04819	0.3
311.05554	0.7
312.02652	0.7
313.03400	0.4
318.05234	0.2
321.03992	0.2
323.05521	0.6
324.06177	0.2
327.05145	0.5
329.06668	0.2
333.03998	0.6
334.04788	4.7
335.05466	2.6
336.06256	0.4
337.03503	0.5
337.07156	0.2
338.04105	0.2
339.05093	2.1
347.05554	0.6
349.07111	0.5
351.05005	0.5
353.06659	0.6
361.03424	0.5
362.04251	33.9
363.04984	6.6
364.05682	0.3
375.05002	0.5
376.06223	0.3
377.06613	25.4
378.07153	1.2
379.08261	1.0
390.03699	0.7
391.04498	0.7
394.06876	0.7
395.07611	1.8
405.06097	24.8
406.06531	0.8
407.07739	0.7
409.09268	2.3
422.06253	0.8
423.07162	24.8
424.07565	0.5
437.08749	33.8
438.09308	1.0
441.08057	0.2
447.06830	0.3
455.09787	100.0
456.10037	2.6
465.08228	0.4
479.09821	0.6
480.80582	0.2
497.10770	1.0
567.11365	2.1
585.12164	0.8
599.14063	5.3
600.14606	0.3
617.15076	7.8
618.15204	0.3
667.15607	0.2
699.19067	0.7
701.16553	0.2
711.15570	0.3
725.16943	0.7
729.16058	0.4
743.18018	0.4
761.19330	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	923.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.6
67.05514	2.9
69.03429	3.4
69.07082	0.6
70.06594	3.5
71.05009	1.8
71.56038	0.8
73.02917	2.7
79.05498	3.6
81.03429	6.3
81.07064	3.1
83.04994	0.7
83.08633	1.2
83.50805	0.5
85.02908	5.5
86.09711	3.8
87.04473	0.9
91.03970	3.1
91.05494	3.4
93.07058	2.4
95.05006	1.7
95.08604	0.9
97.02894	5.7
97.06558	1.8
99.04459	1.1
101.02422	1.4
105.07044	2.6
106.53934	0.5
107.08627	1.6
109.02882	1.6
111.08103	0.5
117.07055	0.7
119.08614	2.1
121.10187	1.5
123.08203	0.5
127.03976	2.0
127.08689	1.3
127.30386	0.5
129.07030	0.7
131.08633	1.4
133.10112	1.2
135.04442	1.0
137.06020	0.8
145.04956	0.8
147.04460	0.9
147.11787	1.3
149.09695	2.3
154.15976	0.7
155.08260	1.4
157.10210	1.7
163.03931	4.1
172.10867	0.7
174.96794	0.6
175.11191	0.8
193.12358	1.6
203.05258	0.7
212.10310	0.9
225.14928	0.9
243.08607	1.9
265.03333	0.5
267.16071	1.5
283.15265	4.8
287.05743	1.4
297.19281	0.5
339.17859	1.1
347.09656	3.1
365.10617	1.1
405.13730	6.5
501.23166	16.5
565.07141	0.6
663.28320	16.4
697.42120	1.5
761.39038	3.0
923.44611	100.0
924.45190	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	923.462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	5.8
69.03444	3.8
69.07075	1.3
71.01363	0.9
71.05013	1.5
73.02929	4.9
79.05520	4.1
81.03442	3.9
81.07063	6.2
83.04975	1.0
83.08633	1.8
85.02926	7.5
91.03960	3.9
91.05510	4.3
93.07051	5.2
95.04993	1.6
95.08608	4.6
97.02911	6.8
99.04492	0.9
101.02403	2.8
103.84274	0.6
105.07061	2.9
107.04993	0.8
107.08612	2.3
109.02906	1.4
109.10178	2.7
117.07053	0.8
119.08629	1.6
121.06516	0.6
121.10166	2.7
127.03984	2.1
129.07014	0.7
131.08617	1.5
132.08778	0.7
133.10184	1.5
135.11693	1.4
137.03021	0.6
145.10223	1.3
239.11406	1.6
241.32216	0.7
243.08458	1.0
257.12411	1.4
259.08459	0.7
265.09262	3.5
267.16107	1.2
283.10468	2.8
301.11456	2.3
301.20346	2.1
335.25824	1.6
337.27383	2.1
347.09750	2.3
365.10889	1.7
405.13705	3.2
483.18240	5.2
519.29346	5.8
529.39099	1.3
545.38354	1.8
546.38788	1.2
547.39880	1.2
563.39581	1.1
564.38855	0.7
629.83124	0.7
645.22736	7.2
663.22345	0.7
681.34583	6.3
761.39868	5.4
923.46161	100.0
924.46710	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	932.631
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.9
67.05506	36.0
67.39038	0.7
69.03425	2.4
69.07069	10.6
70.72037	1.5
71.04977	1.1
71.08633	18.7
73.02916	3.8
74.98493	0.6
79.05495	22.1
81.03412	1.6
81.07059	42.4
83.04987	1.4
83.08624	9.2
85.02431	0.9
85.02911	13.5
85.06514	1.1
85.10188	10.9
86.02071	0.6
89.06028	1.0
91.03960	10.4
91.05482	10.2
93.06472	1.3
93.07047	24.1
95.04986	1.7
95.08611	40.0
96.04491	0.8
97.02900	8.0
97.06557	1.2
97.10172	4.6
103.04008	0.7
103.07616	1.0
105.07034	8.8
105.99113	0.7
107.08607	14.9
109.10163	17.5
111.08115	1.1
111.11714	0.8
115.03904	0.8
117.07008	3.8
119.08587	7.0
121.10146	12.6
123.08026	0.8
123.11720	6.3
125.09641	0.8
127.03895	4.1
131.08577	7.7
133.10136	6.9
135.11685	8.7
137.13254	2.6
145.04974	4.4
145.10139	6.2
147.11697	4.3
149.13249	7.0
159.11708	4.4
161.13232	3.6
163.06015	6.4
163.14838	3.6
165.12878	1.0
165.16504	1.1
173.13297	5.3
175.14786	1.5
177.16377	1.8
177.80827	0.7
179.14304	0.7
187.14861	2.2
189.16502	0.7
201.16414	0.9
233.22701	1.5
239.23694	2.9
243.21114	7.2
257.24780	1.9
261.22159	36.3
301.59943	0.7
313.27371	100.0
314.27838	1.8
317.24820	5.0
335.25803	80.3
336.26138	1.9
403.89185	0.8
499.44891	1.0
510.83160	0.8
573.48822	40.2
574.48938	1.1
591.50024	8.5
941.72333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.0
67.05511	55.2
69.03432	2.6
69.07078	11.7
69.82274	5.0
71.04979	3.9
73.02908	1.5
77.38365	0.8
79.05496	40.5
81.03425	70.4
81.07063	53.3
83.04995	4.6
83.08626	21.0
85.02910	7.5
85.06541	1.6
91.03975	4.4
91.05489	31.0
93.07053	43.3
95.04973	25.1
95.08613	40.9
97.02892	5.6
97.06530	3.6
97.10197	5.1
99.08144	0.9
103.05458	1.0
105.04553	1.1
105.07036	24.3
107.04958	7.8
107.08602	24.3
109.06528	4.8
109.10155	17.3
111.04473	0.9
111.08107	7.1
115.05409	1.8
117.07021	6.6
119.04917	1.8
119.07799	1.5
119.08587	24.2
119.93266	0.8
121.06509	3.7
121.10147	23.2
123.04431	2.5
123.08082	1.9
123.11726	5.4
125.09635	4.0
127.03903	2.0
128.06213	1.2
129.07034	9.3
131.08586	16.7
131.39919	0.8
133.06474	2.5
133.10144	12.9
135.08064	2.7
135.11691	13.1
136.25464	0.8
137.05994	0.8
137.09610	2.2
137.13243	1.0
142.07756	2.5
143.08559	2.5
145.04924	3.0
145.10141	9.9
147.08116	4.4
147.11685	11.9
149.09639	4.9
149.13254	4.9
151.11174	1.6
155.08572	1.2
157.10147	8.9
159.11726	8.0
161.13252	5.1
163.06047	5.4
163.11200	2.7
163.14810	3.5
165.12746	1.7
169.10124	1.5
171.10191	1.3
171.11655	2.2
171.22925	0.8
173.09660	1.9
173.11926	1.0
173.13248	5.6
175.11232	6.0
175.14835	3.0
177.12752	1.3
181.10156	1.2
185.13271	2.2
187.14911	4.4
189.11195	3.6
189.12706	1.2
189.16435	1.1
193.12251	18.6
201.16406	1.2
205.12296	1.4
211.13330	1.5
213.16389	0.9
227.12793	8.7
233.22688	0.9
235.13345	2.5
243.21053	5.4
247.16878	1.2
249.14934	3.3
259.13458	1.4
259.20361	1.0
261.22153	21.4
267.15939	88.2
268.16339	1.1
273.14835	1.4
279.23151	1.9
285.17099	0.9
285.21994	1.4
299.23743	1.3
301.14365	2.5
301.21930	1.3
301.25229	6.9
303.23038	1.4
309.17026	5.4
317.24631	4.0
319.15332	1.1
333.24179	1.4
335.25824	100.0
336.26093	3.4
357.28040	1.3
359.25638	1.2
375.17569	1.4
417.26547	1.5
421.25793	3.5
428.46564	0.9
435.27200	2.6
435.32532	5.5
449.29105	1.4
453.33755	7.3
471.34805	4.2
491.35526	0.9
497.30231	1.3
501.35873	0.9
509.36105	2.5
527.37390	75.4
528.37604	2.0
545.38440	64.8
546.38708	2.4
559.39520	2.4
569.38306	9.2
587.39655	2.0
611.39343	2.0
623.39056	3.0
635.39569	4.2
653.40106	3.6
671.41577	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	937.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	0.3
69.03406	0.5
69.41910	1.1
71.04980	0.2
73.02879	0.2
81.03384	0.6
85.02893	0.9
85.03302	0.2
94.20473	0.2
96.26814	0.2
97.02837	0.3
99.04475	0.8
103.03923	0.3
109.02876	1.2
111.04408	0.3
124.01639	0.2
125.05985	0.3
127.03905	1.6
131.84193	0.2
134.03613	0.3
135.04430	0.2
137.02350	0.3
139.03882	1.0
141.05435	0.6
152.01117	0.2
153.01799	0.7
155.03407	1.1
161.05919	0.2
167.03365	0.8
170.04251	0.2
170.05748	3.4
171.06503	0.3
175.14774	0.3
217.05005	0.3
228.04242	0.3
229.04999	3.7
230.05577	0.2
243.06606	0.3
256.03629	1.7
256.07520	0.2
257.04465	3.1
258.05225	3.4
267.06525	0.4
269.04459	0.4
271.06027	15.1
272.06815	10.5
272.09302	0.1
273.07483	0.5
284.06879	0.3
285.03925	2.1
286.04736	36.8
287.05103	0.9
299.05554	1.6
300.06305	34.3
301.07077	100.0
302.07407	2.2
311.05423	0.4
341.06879	0.2
347.05457	0.8
353.06635	0.5
358.04648	0.3
359.05420	0.4
362.04175	0.7
375.05023	1.0
376.05750	1.1
391.08182	3.6
407.07611	0.2
419.07672	1.0
422.06674	0.3
423.10727	0.7
437.08713	5.4
451.10291	6.4
452.10727	0.3
469.11346	10.5
470.11951	0.3
567.60901	0.3
607.16656	0.6
713.20984	1.4
739.18756	0.6
743.17871	0.4
757.19751	0.8
775.20831	69.7
776.21008	3.5
937.26196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.9
69.03436	3.0
69.07071	0.6
70.30380	1.1
71.08650	0.8
73.02921	3.2
79.05507	1.1
81.03448	1.1
81.07072	2.2
83.08635	0.7
85.02907	4.8
85.10197	0.5
87.04496	0.3
91.03956	3.0
91.05495	0.3
93.07056	1.6
95.08596	1.5
97.02899	4.8
99.04472	0.7
101.02375	1.8
103.03997	0.3
105.07065	0.5
107.08614	0.8
109.02904	0.8
109.10183	0.9
115.04040	0.3
121.10189	0.4
123.11787	0.3
127.03933	1.6
131.08641	0.4
141.10400	0.3
145.04959	0.5
183.48763	0.3
185.04303	0.9
203.05299	0.5
203.53084	0.3
243.08316	1.7
244.95380	0.4
282.02029	0.4
286.99185	0.4
313.27588	0.5
347.09503	2.0
351.22931	0.3
365.10742	1.1
405.13657	4.7
497.31110	3.1
519.29358	3.8
588.80505	0.4
659.36145	3.0
677.27429	0.3
681.34625	6.0
775.53729	1.1
937.58636	100.0
938.58893	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	937.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.1
69.03437	3.6
69.07085	0.6
71.01337	0.3
71.05008	0.4
71.08643	0.9
71.54750	0.3
73.02920	3.6
79.05502	1.5
81.03424	1.7
81.07063	1.9
85.02914	4.7
85.10203	0.4
87.04466	0.4
91.03961	2.6
91.05489	1.0
93.07065	1.4
94.10352	0.3
95.08625	2.1
97.02894	5.8
99.04473	0.9
101.02381	1.7
103.03945	0.4
104.09727	0.3
105.07021	0.5
107.08625	0.8
109.02894	0.6
109.10167	1.0
115.03939	0.5
119.08604	0.6
121.10188	0.3
123.11745	0.4
127.03929	1.5
131.08611	0.5
133.10150	0.5
135.11700	0.5
181.59799	0.3
185.04285	0.9
203.05322	0.7
243.08374	2.2
259.07935	0.4
302.90875	0.3
313.27472	0.6
335.25879	0.3
347.05933	0.3
347.09473	1.5
349.17987	0.3
363.09180	0.3
365.10681	0.9
405.13757	5.8
497.30954	3.3
519.29193	4.3
540.28912	0.3
545.65796	0.4
559.77667	0.3
659.36353	3.7
681.34631	5.9
775.52954	1.4
937.58618	100.0
938.58728	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	938.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.7
67.05511	100.0
69.03428	5.3
69.07074	17.4
69.35872	6.6
69.36284	2.7
71.01325	2.5
71.04990	5.1
73.02906	4.8
77.03912	1.2
79.05499	53.0
79.05965	2.7
79.70047	1.1
81.03423	8.4
81.07064	70.4
82.07424	1.1
83.04993	8.2
83.08623	17.0
85.02421	1.7
85.02908	23.3
85.06531	4.3
87.04488	5.7
91.03981	6.9
91.04906	1.2
91.05486	32.7
93.07050	53.7
95.04974	6.4
95.08611	45.9
97.02890	10.9
97.06541	5.6
97.10178	21.5
99.08086	1.8
103.03938	3.0
103.05420	1.4
105.04533	1.4
105.06384	1.6
105.07039	21.4
107.04958	3.2
107.08603	29.9
109.06531	2.7
109.10165	55.1
111.04422	1.3
111.08070	4.0
117.07027	10.5
119.08589	21.6
121.06487	2.1
121.10159	25.6
123.08054	3.6
123.11726	8.8
125.05987	1.2
125.09641	20.1
127.03913	2.9
129.05481	1.2
129.06995	3.7
131.08578	15.2
133.10123	10.8
135.08038	1.9
135.11688	15.2
137.09618	2.5
139.11246	2.8
141.06949	1.1
143.08527	3.0
143.10645	4.7
145.04994	3.5
145.10133	14.0
147.08035	1.2
147.11697	9.5
149.09618	3.5
149.13283	6.2
151.11183	1.2
155.08548	1.5
155.10660	4.3
156.12245	1.1
157.10132	3.0
159.11696	9.2
161.13234	7.1
163.06006	3.8
163.11163	7.7
163.14812	3.8
169.10213	1.5
171.11681	3.0
173.09534	1.8
173.11742	12.6
173.13255	7.4
175.11237	2.2
175.14804	3.1
181.12231	1.9
183.11783	1.3
185.13246	2.2
187.14832	3.4
189.11133	2.5
191.10689	2.5
193.12268	3.5
197.13225	1.8
199.13284	9.8
199.14839	1.8
201.16429	1.4
209.11697	3.8
211.13197	3.2
211.14995	1.3
217.14304	1.3
227.12732	9.0
229.14357	43.6
230.14702	1.1
241.19379	1.9
243.21123	5.4
245.13834	3.3
248.66953	1.4
259.20563	4.1
261.22147	15.9
265.14136	1.2
267.15909	5.2
271.20627	2.0
277.21640	2.5
283.15356	2.0
285.16901	1.6
293.21109	1.1
299.23666	2.1
301.16486	22.8
315.23212	1.7
317.24756	4.3
327.23111	2.3
333.24155	2.1
335.25821	84.6
336.26077	2.9
341.74353	1.1
351.25531	2.4
363.25235	3.0
373.41931	1.1
451.32101	2.5
463.22318	1.3
463.54169	1.4
469.33145	1.7
477.35608	13.4
480.33676	1.3
489.35715	21.2
517.35498	1.4
525.35785	2.2
543.36713	7.6
561.37872	14.6
579.39093	7.9
723.42462	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	938.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	5.1
66.40848	1.0
67.05510	100.0
69.03418	4.0
69.06727	1.4
69.07076	18.9
70.06593	4.6
71.01369	2.1
71.04990	5.8
73.02914	4.4
77.38518	1.0
79.05499	59.3
81.03424	9.1
81.07064	66.5
83.04987	9.8
83.08624	19.8
84.08157	1.3
85.02911	22.8
85.06528	3.4
86.09700	6.4
87.04465	6.0
91.03967	4.4
91.05490	33.4
93.07050	51.0
95.04985	8.6
95.08614	48.7
97.02905	10.7
97.06551	4.8
97.10179	24.3
99.04474	1.2
99.08083	2.1
100.28436	1.0
103.03938	2.4
105.07039	22.9
107.04964	4.0
107.08599	35.0
108.42130	0.9
109.06521	2.9
109.07579	1.0
109.10166	52.2
111.04517	1.5
111.08084	5.5
115.05357	1.1
117.07024	8.4
119.08600	20.8
121.06507	2.0
121.10153	26.7
123.08054	3.8
123.11733	6.4
125.09642	19.8
127.03940	2.2
129.07008	4.0
130.06511	0.9
131.08574	13.9
132.64064	0.9
133.10159	13.6
135.08041	1.4
135.11694	15.9
137.09621	3.3
137.13226	1.4
139.07512	1.2
139.11185	3.2
141.10268	1.4
143.08592	3.6
143.10678	4.3
145.04959	1.6
145.10152	13.4
147.08040	2.1
147.11690	9.6
149.09636	3.2
149.13275	8.4
151.07491	1.1
151.11206	1.8
153.12772	2.6
155.08577	2.0
155.10672	2.8
157.10179	4.4
157.13332	1.3
159.11702	8.7
161.13258	5.9
163.05988	2.6
163.11211	7.0
163.14819	3.7
165.12778	1.0
169.09999	3.2
171.11731	3.8
173.09654	1.8
173.11732	12.6
173.13269	8.2
175.11108	1.5
175.14830	4.1
177.12537	1.1
177.16362	1.2
181.10159	2.2
181.12201	3.3
183.11758	1.6
185.11626	1.5
185.13133	3.0
187.14825	5.0
189.11203	2.3
191.10660	2.2
193.12259	5.2
197.13258	1.5
199.13287	7.8
201.16489	1.9
203.12799	2.3
209.11668	3.5
211.13266	3.1
217.14319	2.4
227.12784	7.2
229.12094	2.2
229.14359	41.7
241.14304	1.7
243.21031	6.1
245.13860	4.0
252.33403	1.1
257.13889	1.0
259.15262	1.1
259.20590	4.5
261.22202	16.6
267.15897	7.1
271.20520	2.2
275.20023	2.2
277.21667	4.0
283.15405	2.0
285.17227	1.5
285.22043	1.4
289.21667	3.2
297.22202	1.8
299.14767	1.0
299.23767	1.9
301.16479	19.8
301.21732	1.7
303.23004	1.3
306.53708	0.9
315.23236	3.2
317.24698	3.6
319.17563	1.9
327.23181	2.7
333.24359	2.0
335.25830	74.2
336.26151	2.3
349.23712	1.7
351.25369	2.0
363.25150	2.4
433.31387	1.4
451.31689	3.0
459.34689	1.5
469.33182	1.2
477.35892	11.2
489.35880	19.2
490.36038	1.4
503.33374	1.0
525.35486	1.6
543.36902	10.8
561.37903	15.6
579.38867	11.4
723.42975	2.1
938.59436	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	941.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	4.3
69.03438	3.5
69.07086	0.7
69.94052	0.3
71.01353	0.5
71.05003	0.8
73.02925	4.0
73.11736	0.3
79.05511	3.1
81.03427	2.6
81.07066	4.0
83.05005	0.6
83.08640	0.9
85.02911	6.9
87.04501	0.6
91.03965	3.2
91.05502	2.3
93.07061	3.3
95.04995	0.7
95.08628	2.3
96.08945	0.3
96.43740	0.3
97.02906	6.1
97.10222	0.3
98.20749	0.9
99.04481	1.1
101.02415	1.2
105.07075	0.9
107.08572	1.5
109.02910	1.2
109.10172	1.8
109.61360	0.3
111.08133	0.4
115.03944	0.3
117.07048	0.3
119.08627	1.1
121.10159	1.3
123.11750	0.5
127.03941	1.9
131.08611	1.1
133.10159	0.9
134.64011	0.3
135.11754	0.6
145.04953	0.3
145.10152	0.3
146.51784	0.3
147.11662	0.6
149.09668	0.7
152.72226	0.3
157.10085	0.3
157.41600	0.3
161.13326	0.3
173.11871	0.3
175.11282	0.3
185.04257	0.6
189.56458	0.3
193.12292	0.5
199.95695	0.3
203.05251	0.7
229.14331	0.7
243.08388	2.1
267.16095	0.3
269.12811	0.3
283.15149	2.8
315.11771	0.3
335.25958	0.9
337.27600	0.9
338.27887	0.4
339.17953	0.4
347.09540	2.8
363.09082	0.7
365.10693	1.2
405.13684	5.7
405.18588	0.4
450.93887	0.3
469.20828	0.4
492.38098	0.4
501.23178	5.1
518.32166	0.3
519.29504	6.0
520.29846	0.4
557.37225	0.3
663.28595	3.6
681.34552	8.7
730.62219	0.3
779.45313	1.5
941.50854	100.0
942.51147	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	943.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	4.8
69.03436	3.6
69.07063	0.5
69.61558	0.4
71.01350	0.4
71.04996	0.6
71.55384	0.9
73.02921	3.5
79.05510	1.5
81.03441	1.8
81.07068	3.0
83.08667	0.6
85.02909	5.8
91.03951	4.1
91.05501	1.2
93.07048	2.1
95.08595	2.1
97.02895	6.4
99.04485	1.0
101.02414	2.1
105.07071	0.6
107.08626	0.7
109.02914	0.6
109.10181	2.3
115.03955	0.5
117.11841	0.5
119.08620	0.5
121.10188	1.2
127.03951	2.0
133.10202	0.6
135.11775	0.9
137.43123	0.4
145.10146	0.5
149.13338	0.7
166.66731	0.5
173.11784	0.7
185.04274	1.3
195.09978	0.7
196.40002	0.4
203.05208	0.5
243.08586	1.6
261.54987	0.5
335.26086	0.7
347.09521	3.4
363.09048	0.7
365.10544	1.0
405.13693	5.3
405.18497	0.5
413.17957	4.4
519.29254	5.5
575.22992	5.4
681.34515	9.9
682.35339	0.6
691.39886	2.5
853.45587	100.0
854.30389	0.8
854.46057	6.4
897.48859	0.8
921.45905	0.6
925.47784	1.2
943.47876	10.5
944.48120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05364	2.9
67.05751	0.8
67.16203	0.5
69.03278	2.4
69.03706	1.0
73.02764	3.1
73.03210	0.8
79.05341	1.7
81.03268	1.6
81.06898	2.5
85.02737	4.0
85.03293	1.1
86.09544	2.1
91.03777	3.2
91.05338	1.1
93.06864	2.1
93.07430	0.9
95.08427	1.8
97.02706	4.8
98.21507	1.1
99.04352	0.6
101.02209	1.5
107.08452	0.8
109.02740	0.9
109.09959	2.9
111.37367	0.5
119.08457	0.7
121.09974	0.9
124.99811	1.5
125.00639	0.4
127.03709	1.7
127.04613	0.8
131.11261	0.5
135.11517	0.6
184.07349	7.8
185.04027	1.3
195.09911	0.5
243.08159	1.6
243.10457	0.5
335.25513	1.1
347.09512	2.6
365.10376	1.4
405.13675	5.1
413.17719	4.7
519.29272	7.6
575.23138	4.4
588.36536	0.6
589.36877	1.1
647.48914	0.5
681.34473	9.0
691.39990	2.3
853.45581	100.0
854.46118	5.5
925.48047	1.5
943.47540	25.3
944.47760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05364	2.9
67.05751	0.8
67.16203	0.5
69.03278	2.4
69.03706	1.0
73.02764	3.1
73.03210	0.8
79.05341	1.7
81.03268	1.6
81.06898	2.5
85.02737	4.0
85.03293	1.1
86.09544	2.1
91.03777	3.2
91.05338	1.1
93.06864	2.1
93.07430	0.9
95.08427	1.8
97.02706	4.8
98.21507	1.1
99.04352	0.6
101.02209	1.5
107.08452	0.8
109.02740	0.9
109.09959	2.9
111.37367	0.5
119.08457	0.7
121.09974	0.9
124.99811	1.5
125.00639	0.4
127.03709	1.7
127.04613	0.8
131.11261	0.5
135.11517	0.6
184.07349	7.8
185.04027	1.3
195.09911	0.5
243.08159	1.6
243.10457	0.5
335.25513	1.1
347.09512	2.6
365.10376	1.4
405.13675	5.1
413.17719	4.7
519.29272	7.6
575.23138	4.4
588.36536	0.6
589.36877	1.1
647.48914	0.5
681.34473	9.0
691.39990	2.3
853.45581	100.0
854.46118	5.5
925.48047	1.5
943.47540	25.3
944.47760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.1
69.07056	0.5
71.07372	5.1
71.08624	1.4
79.05482	0.5
81.07048	1.6
83.08632	0.5
85.10190	0.9
86.09708	48.0
91.05422	0.5
93.07043	0.4
95.08593	1.3
97.10216	0.6
98.98471	2.6
104.10746	100.0
105.11094	0.8
109.10174	1.0
110.64857	0.3
125.00005	27.8
142.91270	0.4
147.28722	0.3
163.01564	1.1
184.07344	98.9
185.07648	0.7
216.31584	0.4
258.11029	0.9
313.27426	2.0
478.32941	10.0
496.33997	89.2
497.34180	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	951.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05225	0.5
67.05514	5.9
68.05009	0.5
69.03419	1.8
69.07073	1.3
69.77253	2.3
69.77667	0.8
70.06600	43.9
70.71915	0.4
71.05010	2.2
71.10410	0.4
72.08163	4.1
73.02917	0.5
79.05501	6.9
80.05032	0.6
81.03426	33.5
81.07063	7.5
83.04980	2.5
83.08624	6.9
84.04510	24.1
85.02906	1.7
91.05492	6.2
93.07053	5.9
94.06568	0.5
95.04974	11.3
95.08624	3.4
96.04504	4.8
97.02895	1.2
97.06530	2.1
97.10188	2.9
98.06040	1.3
98.21439	1.1
99.04463	3.5
105.07040	6.5
107.04967	4.1
107.08622	3.0
109.06551	2.3
109.10157	1.3
110.06046	0.5
111.08067	2.8
115.05456	0.9
116.07105	41.7
117.07019	1.0
119.04985	0.6
119.08595	5.2
121.06520	2.3
121.10159	3.5
123.04476	0.8
123.08062	1.4
123.11771	0.8
124.03976	1.0
125.09634	2.2
126.09171	0.5
127.03918	0.7
129.06999	2.7
130.05008	6.9
131.08612	4.3
133.06468	1.2
133.10179	3.0
135.08047	0.8
135.11737	0.5
136.07613	1.3
137.06065	0.5
137.09685	0.6
138.09169	1.0
142.07787	0.7
143.08519	0.7
145.06506	1.0
145.10117	1.1
147.04407	0.7
147.08049	1.8
147.11716	3.8
149.09642	5.9
154.08609	1.5
155.08539	0.6
157.10164	5.0
163.03935	1.6
163.11203	0.7
165.12746	1.2
167.03391	0.6
167.10699	1.1
171.08064	0.5
175.11192	4.0
177.05545	0.6
177.12863	0.5
182.08148	12.4
184.09724	2.7
184.13379	1.0
189.11198	0.9
193.12265	10.9
193.13795	0.4
194.15469	1.0
204.13873	1.6
211.13254	0.7
219.13777	1.0
222.14922	1.7
228.08711	9.4
232.13313	0.5
235.13332	0.7
245.11357	100.0
246.11667	1.9
249.14880	0.8
250.14403	13.6
259.09753	0.7
259.12982	0.5
267.15945	41.7
268.15494	2.2
273.14853	1.4
276.16037	0.7
287.05600	3.2
296.14902	0.7
300.06409	0.8
315.08554	0.6
339.23221	0.7
349.21753	0.9
367.22818	1.4
370.18475	0.8
385.23776	2.8
403.24838	1.3
441.26471	0.6
459.27475	19.6
460.28055	1.1
477.28519	8.5
491.30148	1.0
501.27707	0.7
562.29840	1.6
567.29224	1.3
677.36731	0.7
695.37811	5.9
721.39093	5.0
736.36670	0.6
739.39667	0.8
789.23352	0.7
810.42279	0.6
857.42480	0.7
883.45184	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	954.6152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	59.1
69.03430	3.4
69.07072	17.4
70.50964	0.9
71.04993	1.9
73.02917	3.8
79.05500	41.7
81.03407	1.9
81.07062	61.6
82.14996	0.7
83.04978	1.9
83.08628	6.6
85.02905	15.7
85.06509	0.8
89.06963	0.8
90.85530	0.8
91.03975	11.1
91.05489	28.1
93.07051	49.4
95.04976	4.0
95.08612	45.7
97.02890	8.9
97.06535	2.6
97.10168	3.0
99.04459	1.2
99.08080	1.6
105.04567	1.3
105.07038	20.6
107.07866	1.6
107.08598	26.4
107.09298	1.6
109.10170	20.7
111.08103	1.5
111.11726	1.0
115.03910	0.9
115.05455	1.0
117.07005	7.7
119.08587	16.8
121.09319	1.5
121.10151	19.1
123.08087	1.1
123.11720	8.9
125.09653	0.9
127.03928	4.5
129.07039	1.7
131.08600	13.9
133.10138	14.1
135.11703	15.1
136.08311	0.8
137.13290	3.3
143.08536	1.8
145.04984	6.2
145.10143	11.1
147.11696	10.8
149.09698	1.1
149.13235	9.0
151.14867	0.8
157.10146	2.2
159.11702	12.3
161.13246	10.1
163.06003	7.9
163.14798	5.6
165.12773	0.8
166.85670	0.9
171.11726	2.6
173.13292	8.1
175.14833	3.3
176.84126	0.8
177.16417	1.4
185.13263	2.1
187.14763	3.9
189.16441	1.4
199.14983	1.8
201.16362	1.6
215.17886	0.9
229.17380	0.9
229.19542	0.9
241.19510	4.0
243.21173	6.0
245.22580	1.6
259.20605	9.4
261.22159	21.3
263.23660	2.2
284.58481	0.8
287.23663	1.0
299.23911	1.1
317.24829	2.8
333.24231	9.7
335.25824	100.0
336.26126	2.0
337.27365	13.7
489.35501	1.0
503.42938	1.6
521.43475	3.0
531.41260	1.2
534.30847	0.9
539.43927	1.3
543.40045	1.1
595.47211	15.7
613.48376	26.4
613.58344	1.5
656.23669	1.0
665.21942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6159
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	45.6
69.03427	1.5
69.06721	0.8
69.07076	11.9
70.80589	1.0
70.80924	1.1
71.04980	1.1
73.02916	2.8
79.05502	30.1
81.03424	0.9
81.07066	53.0
83.04994	1.5
83.08631	5.8
85.02913	14.0
85.06558	1.2
91.03967	9.3
91.05489	21.9
91.06079	1.1
93.07056	38.4
95.04990	3.3
95.08618	40.4
97.02899	7.4
97.06539	2.6
97.10169	2.4
98.21439	0.8
99.08097	1.3
105.04533	0.7
105.07044	16.1
107.08605	23.1
109.09456	1.2
109.10168	19.3
111.08087	1.4
117.07026	5.3
119.08595	14.0
121.10161	18.6
123.08107	0.8
123.11739	7.4
125.09633	0.7
127.03942	3.9
129.07007	2.2
131.08583	11.8
133.10158	12.4
135.11713	13.4
137.09619	1.0
137.13278	2.7
139.11208	1.3
142.52863	0.8
143.08565	1.7
145.04951	5.3
145.10136	10.2
147.11694	8.9
149.13274	9.2
150.55489	0.7
151.14809	1.6
157.10164	1.9
159.11722	8.6
161.13260	7.3
163.06055	6.3
163.14815	4.4
165.12746	0.8
165.16454	0.9
171.11685	2.4
173.13303	8.3
175.14845	4.5
177.16388	1.6
185.13252	3.2
187.14815	3.9
187.42302	0.7
189.16411	1.4
191.14421	0.9
197.13251	0.7
199.14871	2.0
199.24133	0.6
201.16341	1.7
203.17957	1.0
205.15796	0.9
213.16437	1.2
215.17879	1.2
217.19585	0.9
231.21179	1.9
233.22707	0.8
241.19611	3.8
243.21063	5.9
245.22668	1.3
257.19034	0.8
259.20547	8.9
261.22192	19.9
263.23730	2.5
273.21954	0.8
275.20172	0.7
285.22122	1.3
287.23764	0.7
302.78555	0.7
305.24789	0.7
315.23364	1.2
317.24933	4.0
333.24298	8.5
335.25836	100.0
336.26236	1.8
337.27414	12.0
353.27115	0.9
521.43585	2.6
543.40363	1.2
595.47308	19.0
613.48352	20.8
614.48529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6313
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	100.0
68.72974	1.1
69.03414	3.5
69.07071	34.9
70.67536	3.8
71.04980	2.8
71.08637	2.8
73.02931	6.8
79.05499	54.2
81.03408	1.9
81.07063	99.8
83.04977	2.9
83.08626	22.3
85.02908	24.8
85.06522	3.2
91.03961	18.0
91.05486	34.9
93.07050	57.7
95.04966	4.3
95.08612	80.2
97.02896	13.3
97.06515	5.4
97.10170	10.6
99.08086	2.9
103.05454	1.1
105.04506	2.1
105.07032	28.1
107.08602	29.6
109.06527	2.2
109.10165	33.7
111.08065	3.4
111.11719	2.1
113.09665	1.5
117.07054	8.1
119.07806	1.5
119.08589	20.0
121.09317	1.8
121.10152	27.3
123.11715	13.2
125.09639	1.4
125.13232	1.4
127.03929	6.4
129.06996	1.9
131.08588	12.3
133.10144	18.0
135.11702	19.3
137.13240	4.8
143.08568	2.0
145.04945	10.0
145.10155	9.8
147.11708	14.3
149.09624	1.3
149.13280	11.4
151.14821	3.4
157.10114	2.0
159.11687	9.7
161.13275	10.1
163.06052	9.2
163.14835	7.5
169.10139	1.8
171.11656	2.2
173.13211	7.4
175.14789	5.8
177.16380	3.2
179.14352	2.0
185.13255	2.1
187.14835	5.3
189.16411	2.0
199.14819	2.2
213.16312	1.8
219.21043	1.3
225.16560	1.3
233.22787	1.3
241.19522	2.8
243.21135	10.4
245.22635	2.0
247.24551	1.5
259.20731	8.2
261.22168	26.7
263.23715	5.2
275.19733	1.4
279.23151	1.7
287.23663	2.3
317.24701	4.0
317.28152	1.6
333.24124	5.4
335.25824	91.2
336.26172	3.3
337.27390	96.3
338.27631	3.3
339.28836	9.2
523.45203	6.0
541.46240	2.3
545.41870	1.7
597.48840	38.7
615.49957	50.4
616.49841	3.2
990.99335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.3
67.28436	0.4
67.75905	0.4
69.03452	2.8
69.07107	0.6
70.74873	1.2
71.01365	0.8
73.02927	2.3
74.76810	0.4
79.05511	1.3
81.03450	1.3
81.07058	3.0
85.02917	4.8
85.69340	0.5
91.03959	2.6
91.05505	1.1
93.07066	1.9
95.08608	2.4
97.02906	5.1
99.04517	0.5
101.02410	1.1
105.07081	0.5
105.69960	0.4
107.08642	0.5
109.02927	1.3
109.10168	0.8
113.73875	0.4
119.08630	0.6
121.10159	1.1
127.03963	1.1
131.08658	0.5
133.10144	0.5
135.11743	0.5
149.13298	0.6
159.57214	0.4
185.04330	0.9
243.08490	1.5
243.99075	0.4
335.97726	0.5
347.09763	1.3
365.10788	0.6
405.13708	4.7
519.29340	3.8
521.30872	3.0
681.34210	3.2
682.36334	0.5
683.36560	4.1
799.53241	0.7
961.58618	100.0
962.59039	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	964.621
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05172	2.1
67.05513	37.4
69.03432	6.7
69.07073	16.1
71.04980	3.0
71.08633	21.5
71.11304	2.5
71.97157	1.5
73.02914	2.7
79.05498	25.5
80.20716	1.5
81.03422	9.1
81.07064	45.5
83.04977	6.0
83.08626	13.7
84.66924	1.4
85.02903	10.8
85.06534	2.9
85.10203	10.4
86.27939	1.5
87.35152	1.5
91.03955	4.2
91.05486	32.6
93.07051	30.1
95.04957	5.4
95.08055	2.0
95.08618	30.6
97.02917	8.5
97.06556	8.7
97.10163	7.9
99.04461	2.0
99.08082	2.2
105.04546	1.6
105.07047	20.5
106.27425	1.8
107.04955	4.8
107.08601	17.4
109.02879	1.7
109.06494	4.0
109.10168	21.3
111.08087	2.9
115.05435	3.2
117.07029	12.4
119.08589	15.6
121.06475	3.5
121.10162	11.0
123.08027	2.5
123.11724	4.0
127.03936	3.5
128.06233	2.2
129.05478	2.0
129.07001	4.8
131.08571	17.4
133.10138	13.6
135.08034	2.8
135.11752	7.5
137.09666	1.9
137.13211	1.7
143.08556	2.9
145.04977	2.9
145.10115	11.2
145.55475	1.5
147.11685	7.7
149.09596	5.8
149.13271	3.3
155.08589	1.7
156.64452	1.5
157.10138	4.6
159.11711	9.2
161.13312	2.8
163.11122	2.9
171.11650	3.0
173.04478	2.0
173.11858	1.8
173.13251	5.0
183.11659	3.1
185.13248	4.0
195.13829	2.5
197.13268	1.6
199.14792	2.5
203.14268	3.0
217.15839	4.7
219.17433	4.0
227.12822	4.5
229.14380	9.0
235.16760	2.7
239.17932	1.8
239.23715	3.3
255.15816	5.6
257.19086	6.8
257.24844	1.7
258.89514	1.4
269.17505	22.2
275.20071	22.2
291.19629	3.7
293.21155	2.6
309.20541	9.2
311.25986	2.3
313.27393	100.0
314.27649	3.2
331.22656	4.0
345.17981	1.6
349.23761	27.8
367.24738	4.0
368.24670	1.6
413.21753	1.7
467.37210	8.3
491.41382	2.4
493.39050	9.4
507.40451	50.7
521.41858	3.4
547.43701	37.5
548.43140	2.2
569.45337	2.1
587.38141	2.0
587.46777	33.3
605.47723	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	966.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	5.2
68.05009	0.8
69.03436	6.7
69.07072	1.5
70.02995	0.7
70.06587	4.3
70.71252	1.1
70.71593	0.6
71.01357	0.8
71.04995	63.1
71.08646	3.0
73.02914	4.1
79.05501	5.1
80.05030	0.6
81.03417	2.9
81.07056	4.0
83.04961	1.0
83.08623	2.4
84.04539	0.7
84.08157	2.9
85.02904	7.3
85.10177	1.9
86.06075	3.9
88.04002	3.4
91.03942	3.2
91.05486	1.9
93.07037	2.3
94.06583	0.7
95.05000	1.2
95.08587	2.9
96.08126	8.0
97.02895	8.1
97.10184	3.8
98.06061	3.1
99.04464	0.5
99.08032	0.5
101.02409	1.3
105.07057	0.8
106.06586	1.0
107.04975	0.6
107.08585	2.6
108.06884	0.6
109.02901	1.0
109.10188	1.9
111.08095	1.3
112.07597	4.2
114.05513	0.7
114.09199	0.6
117.07072	0.7
124.07593	5.2
125.09657	2.9
127.03925	1.3
135.08099	1.8
140.07045	0.8
141.07889	1.0
142.08633	6.2
153.09138	1.5
158.08122	7.2
170.08096	3.5
189.11302	1.9
227.12730	3.4
313.27383	7.0
585.98724	0.6
624.44275	0.7
642.45807	4.0
804.50763	2.8
966.56329	100.0
967.56244	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	968.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05180	1.6
67.05512	23.5
67.34530	1.2
69.02320	1.0
69.03436	1.1
69.07075	6.9
71.04949	1.1
79.05500	20.8
81.03426	1.3
81.07063	27.0
83.04980	1.7
83.08626	2.9
85.02901	1.9
85.06532	2.9
91.04973	1.8
91.05487	24.1
93.07057	24.5
95.04971	2.9
95.08054	1.5
95.08617	20.8
97.02908	0.9
97.06516	2.1
97.10181	1.7
99.04446	1.9
105.04507	1.1
105.07040	19.8
107.04950	2.6
107.08612	12.3
108.26177	0.8
109.06524	4.1
109.10162	7.7
111.08057	1.4
117.07039	8.0
119.08593	13.7
120.17668	1.0
121.06515	1.0
121.10159	10.5
123.11694	1.4
126.37186	0.9
129.07018	1.5
131.08577	14.2
133.10147	9.5
135.11720	7.1
137.09625	2.1
143.08572	1.2
145.10129	7.9
147.11681	5.0
149.09532	1.4
149.13214	2.0
153.12692	1.1
157.10062	1.9
159.11679	3.8
161.09622	1.0
161.13316	2.3
169.10222	1.5
171.11539	1.0
173.13271	2.7
175.14728	1.0
185.13251	1.8
201.16365	3.4
203.14322	2.7
219.17461	76.3
220.17690	1.3
275.20096	15.7
335.25821	46.9
349.23792	16.3
607.17096	1.1
609.45184	100.0
610.45367	3.8
627.45483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	5.9
69.07073	23.7
69.34613	3.6
69.35011	17.3
71.05009	3.9
73.02922	6.9
73.49628	2.4
79.05062	4.9
79.05502	77.9
81.03416	4.5
81.07063	100.0
83.04979	3.8
83.08616	13.5
85.02915	16.8
85.06538	4.1
91.03970	15.2
91.05489	86.3
93.07054	99.2
95.04990	10.8
95.08617	74.4
97.02896	11.4
97.06538	4.8
97.10206	3.4
105.04504	2.9
105.07040	78.1
107.08606	53.5
109.06489	4.1
109.09470	3.5
109.10166	30.2
110.29518	2.3
111.08044	5.1
115.05437	4.1
117.07027	28.3
119.08590	62.6
121.06525	2.7
121.09325	3.7
121.10154	43.0
123.08091	3.4
123.11738	6.6
127.03922	4.8
128.06207	2.6
129.06992	15.6
131.08568	38.7
133.10149	52.0
135.11720	33.3
141.06992	3.3
142.07880	2.4
143.07649	2.5
143.08574	17.9
145.04961	7.4
145.10114	32.5
147.11687	40.4
149.13245	15.7
155.08542	3.9
157.10094	11.9
159.11716	29.7
161.13271	30.7
163.06038	9.7
163.11218	2.8
163.14893	5.1
169.10194	3.5
171.11687	17.9
173.13283	23.0
175.11108	3.4
175.14819	10.7
183.11620	3.1
185.13286	13.3
187.14804	7.1
195.11684	3.2
197.13258	7.5
199.14845	10.6
211.14888	4.3
231.21231	3.8
239.17967	2.8
241.19553	23.8
241.61284	2.5
243.21144	4.3
253.19670	2.9
257.18973	9.9
259.18008	5.3
259.20593	70.8
261.22174	16.9
315.23111	4.2
331.22772	4.1
333.24274	56.7
335.25815	93.4
336.26199	4.0
337.27249	6.0
349.31290	2.7
471.95688	2.7
519.41815	7.5
541.38763	2.9
571.25073	2.8
593.45862	21.3
611.46765	86.0
612.46594	5.9
719.48047	5.1
755.50049	5.9
877.37018	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	975.565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	2.6
71.55434	0.4
71.55834	0.5
73.02919	2.4
79.05509	1.9
81.03440	0.9
81.07058	1.5
85.02906	3.8
91.03961	2.8
91.05505	1.3
91.74644	0.4
93.07044	2.1
95.08629	1.6
97.02903	3.8
99.04474	0.7
101.02416	1.3
105.07050	1.1
106.82179	0.5
107.08618	1.2
109.10144	0.6
119.08593	0.8
121.10176	1.0
127.03917	1.0
131.08621	0.7
133.10187	0.8
145.04979	0.6
147.11784	0.6
171.97334	0.4
173.13237	0.5
183.26186	0.4
185.04263	0.6
203.05333	1.1
204.31210	0.4
243.08586	1.7
306.04419	0.5
347.09726	2.2
365.10873	1.0
405.13626	5.1
519.29242	3.8
535.28876	2.5
629.24579	0.5
681.34625	6.2
697.34241	2.3
761.57983	0.6
813.51288	0.6
975.56543	100.0
976.56683	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	986.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	7.1
69.07073	21.3
71.04987	3.7
71.55207	2.3
73.02906	3.5
79.05497	57.2
81.03419	8.3
81.07061	83.0
83.04970	6.3
83.08624	12.0
85.02908	13.0
85.06534	3.1
91.03943	5.1
91.05485	53.0
93.06477	3.5
93.07050	64.8
93.07635	3.6
95.04982	8.0
95.08609	52.7
97.02891	9.0
97.06538	8.7
97.10162	10.6
99.04443	2.3
99.08080	4.2
105.04474	1.7
105.07036	37.8
106.68945	1.5
107.04964	5.5
107.08598	42.1
109.06512	8.0
109.10163	24.3
111.08135	3.8
113.09626	1.5
117.07037	13.3
119.08584	28.0
121.06472	2.1
121.10147	27.0
123.08038	3.4
123.11720	8.1
125.09624	6.4
127.03942	4.5
128.06253	1.9
129.05452	1.9
129.06995	5.8
131.08578	23.1
133.10143	29.4
135.08022	3.3
135.11694	14.9
137.09613	2.0
143.08556	6.0
144.22429	1.4
145.04962	1.9
145.10124	21.3
147.08029	1.8
147.11691	14.8
149.09666	9.9
149.13252	6.9
155.08617	1.9
157.10115	4.9
159.11711	16.5
161.09572	1.7
161.13264	8.0
163.11182	4.3
163.14769	2.3
165.12753	1.7
169.10100	4.8
171.10263	2.0
171.11690	4.3
173.11861	1.8
173.13216	8.1
175.14882	1.9
177.12741	2.5
179.14340	1.7
179.55069	1.4
181.10086	1.5
183.11642	4.5
185.13283	5.3
187.11128	2.1
187.14842	3.5
189.11235	6.2
197.13278	2.8
197.28500	1.3
199.14848	3.1
201.16452	3.0
203.14468	1.6
211.14865	2.4
212.54208	1.6
217.15884	1.6
219.17416	2.6
227.12769	6.8
229.14433	3.9
229.19499	1.9
239.17862	2.9
243.21059	3.6
245.13983	1.6
247.20627	2.4
257.19003	7.4
259.20563	2.2
261.22134	10.0
267.15909	3.3
269.17462	3.7
275.20068	37.9
293.21109	4.0
309.20544	2.1
313.27274	1.7
331.22717	3.6
333.24051	2.4
335.25824	100.0
336.26199	2.1
349.19733	2.8
349.23755	37.9
367.24670	1.7
489.35754	6.0
505.35156	4.0
515.37158	5.3
529.38745	13.3
535.41156	1.9
545.38367	2.4
569.41711	11.3
582.05090	1.9
609.45160	75.8
610.45459	3.1
627.46185	13.6
987.57739	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	986.6055
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	9.1
69.06715	2.8
69.07074	32.7
69.77731	5.5
71.04996	6.4
71.08631	1.5
71.20278	1.2
73.02917	2.9
79.05496	87.1
81.03428	9.3
81.07059	92.5
83.04993	7.9
83.08618	16.3
84.89941	1.3
85.02910	16.8
85.06543	5.8
91.03960	5.8
91.04894	2.0
91.05483	64.0
93.07048	76.3
95.04972	11.2
95.08611	64.1
97.02894	10.7
97.06531	16.1
97.10172	16.7
99.04449	2.4
99.08092	3.3
103.05476	2.0
105.04550	2.3
105.07033	62.2
107.04968	10.7
107.08600	56.6
109.02902	2.5
109.06522	7.8
109.10160	33.0
111.04420	1.9
111.08099	5.8
113.09672	1.6
115.05453	3.0
116.15570	1.4
117.07027	20.3
119.08585	42.3
121.06523	4.8
121.10149	32.5
123.08075	4.1
123.11727	7.4
125.09648	15.1
127.03951	5.7
128.06215	2.6
129.07025	10.1
131.08578	32.3
133.06454	1.7
133.10146	35.2
135.08055	4.7
135.11711	18.9
137.09622	4.5
137.13313	2.0
141.07007	2.0
142.07741	1.8
143.08549	9.0
145.05025	3.4
145.06404	1.5
145.10127	28.4
146.10645	1.5
147.08081	2.8
147.11685	28.8
147.88214	1.5
149.09625	15.0
149.13281	11.1
151.11205	4.2
155.08574	3.8
156.09377	1.6
157.10172	10.0
159.11703	18.7
161.13252	9.0
163.11217	7.2
163.14828	4.5
165.12791	3.1
169.10194	3.9
171.10333	1.8
171.11673	7.0
173.11763	3.4
173.13281	9.1
175.11220	2.0
175.14845	4.0
177.12785	2.9
179.14363	1.7
183.11711	5.2
185.13272	7.4
187.14845	4.2
189.11238	6.5
195.13794	1.7
197.13260	3.1
199.14874	2.8
201.12695	2.4
201.16397	2.5
203.14268	2.0
213.16365	2.5
215.17967	1.9
219.17430	3.6
223.70670	1.4
227.12811	20.9
229.14334	7.8
229.19469	2.1
239.18015	4.5
243.21059	3.3
247.20572	2.9
257.19037	12.7
259.20636	5.1
261.22144	15.3
267.15884	6.1
269.17572	4.8
275.20062	60.4
277.21622	1.9
293.21170	5.1
317.24777	2.8
331.22723	3.7
333.24213	4.4
335.25812	100.0
336.26266	2.5
337.27325	1.7
349.23737	65.5
351.25269	1.6
389.18021	1.9
489.35699	8.0
505.35110	3.9
515.36938	3.1
528.66571	1.6
529.38947	10.3
535.41663	1.6
545.37927	2.6
555.40436	2.5
569.42242	6.3
591.43561	1.6
609.45160	90.3
610.45148	3.9
627.46198	17.1
649.39722	2.2
968.82092	1.4
986.55963	3.1
987.56305	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	986.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	6.7
69.07071	21.2
69.44734	1.8
69.45140	4.6
71.05002	4.1
72.18295	0.8
73.02918	2.2
77.03924	1.4
79.05495	59.5
81.03423	8.5
81.07059	81.0
83.04987	8.1
83.08620	10.8
85.02911	11.7
85.06541	3.6
91.02301	0.8
91.03944	4.6
91.05483	56.2
93.03371	0.9
93.07045	66.3
95.04966	8.8
95.08609	52.9
97.02910	6.6
97.06535	10.0
97.10167	7.2
98.21565	1.7
99.04446	1.6
99.08097	2.8
101.02367	1.0
103.05459	2.0
105.04543	2.3
105.07034	42.7
107.04935	3.9
107.08596	40.0
109.02877	2.0
109.06512	6.3
109.10159	31.4
111.04409	1.0
111.08080	3.9
113.06041	0.8
115.05471	2.3
117.07021	21.5
119.08582	30.9
120.81409	0.9
121.06487	2.3
121.10145	28.3
123.08079	4.4
123.11705	7.2
125.09628	6.5
127.03880	4.9
128.06227	1.9
129.05496	1.5
129.07019	7.0
130.07825	2.2
131.08575	25.2
133.06509	1.0
133.10138	20.2
135.08046	3.3
135.11699	17.3
137.09647	2.6
137.13205	1.1
139.07640	1.0
139.11229	1.5
141.06982	1.8
142.07741	2.0
143.08592	6.2
145.04929	2.6
145.09050	1.5
145.10126	21.1
147.08047	1.4
147.11681	13.3
149.09666	5.4
149.13251	10.4
151.11153	1.5
153.09088	1.1
155.08559	2.6
155.10652	1.1
157.10110	5.8
159.08109	0.9
159.11702	15.2
161.09641	1.5
161.13272	7.6
163.06001	1.8
163.11229	5.0
163.14841	2.8
165.12831	1.8
167.08592	1.1
169.10104	4.4
171.11711	4.3
173.04456	3.3
173.11748	2.9
173.13260	10.2
175.11130	2.1
175.14864	4.1
177.12759	2.5
183.11694	3.7
185.13220	5.6
187.14813	3.8
189.11214	2.6
189.12703	1.0
191.14330	1.1
197.13249	2.2
199.14812	3.1
201.16376	3.2
203.14285	2.0
213.16522	1.3
215.98335	0.8
217.15878	2.4
219.17393	2.9
227.12740	6.2
229.14345	13.5
229.19418	1.8
235.16895	1.6
239.17960	3.6
241.19559	1.7
243.21112	3.6
247.20560	1.4
257.18970	8.2
259.20563	3.2
261.22095	11.9
267.16031	1.7
269.17465	11.1
275.20068	25.8
277.21686	1.6
283.19055	1.8
291.19489	2.1
293.21115	3.2
309.20660	8.9
317.24780	3.2
331.22607	2.5
333.24298	3.3
335.25812	100.0
336.26108	2.9
349.23740	26.3
350.23972	1.0
351.25174	2.5
367.24805	2.6
369.24368	1.0
415.31876	0.9
431.32162	0.9
489.35748	15.3
507.36386	1.3
515.37781	4.0
529.38940	34.6
530.39056	1.4
543.40094	3.4
545.38251	1.1
553.42487	1.4
555.40417	1.2
569.42029	29.5
591.43835	1.1
609.45166	41.0
610.44836	2.5
627.46008	10.7
633.39685	0.9
771.50366	2.1
986.56195	3.3
987.56885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33727	5.5
71.95265	2.6
79.05504	0.9
84.95536	0.7
84.96042	13.2
88.73914	0.7
91.05485	1.1
93.07022	1.0
95.04986	4.1
97.96790	0.9
98.97594	83.3
102.97079	0.9
105.07052	1.8
107.08622	4.3
108.51413	0.7
109.10138	1.0
110.97586	7.8
112.99144	13.6
115.00702	1.8
116.98634	36.5
119.08591	2.1
120.23798	0.8
121.10149	2.4
124.99152	1.4
127.00700	2.7
128.98634	9.5
131.00195	15.8
131.08638	1.0
133.10120	2.6
134.99670	7.9
135.08093	2.6
140.00244	1.9
140.98630	2.3
141.02260	1.3
143.00194	2.7
144.98087	1.7
146.99655	4.5
147.03357	0.7
147.11725	1.8
149.01247	6.2
152.98587	1.0
155.03853	1.0
158.10944	0.8
158.99666	22.6
159.03322	1.6
161.01248	2.4
162.99193	1.4
170.99695	3.0
173.01260	11.1
173.13251	2.3
175.14891	1.2
177.00734	19.9
179.03862	1.0
181.05316	1.3
189.00749	2.9
191.02301	9.6
191.03999	1.0
191.14253	4.2
193.05437	1.1
195.01736	1.3
195.06946	2.5
197.04852	1.7
199.06569	1.3
200.02293	1.2
201.00780	4.5
202.98674	1.3
203.07506	0.8
205.05539	0.9
209.04871	1.0
211.06477	1.0
213.08018	2.3
219.01779	18.3
219.06979	1.2
221.08510	7.2
223.06529	1.6
223.10054	1.9
225.08064	1.0
227.05853	1.0
233.03091	0.9
235.10068	0.9
237.02844	22.5
237.07896	4.1
239.09567	16.9
241.07503	2.7
242.03371	1.0
244.99757	2.2
247.10065	7.2
249.07970	2.0
249.11591	1.3
251.09590	0.8
253.07542	1.3
253.11131	1.9
255.09123	2.0
257.10587	5.4
260.04446	1.2
261.02866	2.3
263.09650	4.1
265.11139	28.5
267.09219	1.8
267.12488	0.8
269.10538	1.0
275.09656	2.1
279.03784	1.5
279.09213	1.0
281.10583	5.9
283.12198	37.9
284.12439	0.9
289.11136	21.5
293.10602	6.1
299.11697	3.0
301.13345	10.2
303.12711	3.1
306.13754	1.2
307.12201	58.4
308.12576	1.7
311.11737	4.3
317.10587	0.9
319.12079	4.1
321.13748	10.1
323.02783	1.0
325.13266	37.8
329.12686	1.5
330.13831	1.7
331.12274	2.5
335.11789	1.7
337.13275	2.7
339.14877	3.1
343.14484	4.3
348.14935	2.2
349.13269	15.4
351.15045	1.1
353.12793	1.0
361.13370	1.5
367.14304	12.8
379.14404	4.2
381.16116	1.0
383.13733	1.1
390.15936	0.9
391.14459	2.8
393.12329	4.7
401.14972	1.9
409.10010	1.3
409.15402	18.5
427.16461	88.0
428.16812	2.4
445.17529	18.3
451.16510	10.7
453.14255	2.3
468.19278	1.4
469.17517	100.0
470.17685	2.6
487.18567	53.9
488.19034	1.8
495.15329	2.9
497.18097	0.7
510.20010	2.3
511.18781	3.8
513.16522	33.4
529.19690	8.1
530.20428	0.9
531.17438	0.9
571.08057	1.2
597.18597	1.7
735.23456	0.9
779.22650	3.6
905.93262	0.9
908.05701	1.1
943.38196	1.5
987.35101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98550	0.8
69.07068	1.2
70.06606	1.1
70.83012	2.2
71.95264	1.4
79.05509	0.7
81.07032	1.0
83.04967	0.9
84.96036	12.1
91.05492	1.4
93.07023	1.7
95.04971	1.9
95.08612	1.2
97.96812	1.0
98.97588	72.4
102.97080	1.4
105.07014	2.3
107.08599	7.9
109.06542	1.3
110.97571	5.7
112.73830	0.7
112.99134	12.4
115.00674	1.1
116.98625	30.3
116.99449	1.8
119.08599	2.7
121.10163	3.8
124.95483	1.2
127.00656	1.2
128.98625	6.2
131.00182	15.6
131.08597	1.9
133.10138	2.3
134.99638	8.6
135.08072	5.0
135.11702	1.7
137.05991	1.1
137.09592	0.8
140.00209	1.9
140.98653	1.6
141.02197	1.4
143.00211	1.9
144.98088	1.8
146.99673	2.6
147.11694	2.8
149.01227	7.9
149.13298	1.7
153.00703	1.2
154.01698	0.9
158.99664	22.0
159.03319	1.5
160.97676	1.2
161.01210	1.0
162.99142	1.4
163.03923	1.2
163.14822	1.0
170.99771	1.7
173.01257	10.9
173.13235	3.9
175.14825	1.9
177.00716	19.7
179.03769	1.8
184.97614	1.8
189.00722	2.3
191.02299	6.4
191.14322	3.3
195.01776	1.2
195.06934	2.9
197.04826	3.9
199.06470	0.9
200.02328	1.1
201.00691	4.0
202.98624	3.8
205.05406	1.5
205.09114	1.2
209.04823	1.5
209.08281	1.2
211.06332	1.7
213.08026	1.6
219.01767	13.1
219.06992	1.6
221.08498	10.4
223.06401	2.7
223.10056	4.2
227.05870	1.9
235.06320	1.1
235.10022	1.7
237.02763	11.9
237.04749	0.9
237.07942	6.5
237.11589	1.7
238.05090	1.2
239.09537	20.8
241.07495	3.2
241.11034	1.4
244.99696	7.1
247.10039	8.9
249.07997	2.1
251.09627	1.6
253.07384	1.8
253.11116	5.9
255.09065	2.6
255.12697	1.9
257.10526	8.0
260.04742	0.9
261.02811	3.8
263.09628	2.8
265.11139	40.2
266.11572	1.3
267.09100	2.2
267.12634	1.3
271.12164	2.4
275.09381	3.9
279.04065	1.4
279.09015	1.6
281.10605	2.9
283.12198	53.4
285.09872	1.1
287.00754	1.4
289.11115	23.4
293.10605	10.2
299.11716	1.6
301.13284	15.1
303.12671	4.9
306.13818	1.7
307.12173	94.5
308.12656	1.9
311.11731	6.4
319.12045	4.3
321.05151	1.1
321.13760	21.8
323.02954	1.3
325.13235	43.6
329.12762	1.1
330.13855	2.6
331.12149	2.6
335.11505	2.9
337.13297	2.8
339.14752	5.8
343.14282	1.9
344.15094	0.9
347.03241	1.1
348.14819	5.2
349.13242	31.3
351.11249	1.2
353.12659	1.0
367.14340	14.5
379.14261	9.6
381.15936	2.0
389.03897	1.6
390.15729	1.4
391.14117	1.3
393.12216	10.7
407.05161	1.4
409.15356	26.0
423.13663	1.4
427.16452	65.9
428.16678	1.5
445.17593	7.4
451.16486	19.8
452.16498	1.2
453.14465	4.9
467.07104	2.0
469.17502	100.0
470.17609	2.2
487.18646	13.3
487.65836	0.8
493.04916	1.2
495.15442	8.7
497.17270	1.5
511.06140	2.1
511.18561	6.8
513.16473	34.7
527.09180	1.9
529.19641	7.3
531.17450	3.0
553.07074	1.3
554.18604	1.4
571.08276	5.5
571.20343	1.4
597.18732	1.2
615.19507	2.5
641.17218	1.2
659.18317	1.2
675.21667	2.9
701.18964	0.9
719.21143	2.1
724.58246	1.0
735.11835	0.8
735.23334	4.5
779.22693	7.7
943.37671	2.1
969.37457	0.9
987.38129	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	12.8
73.02953	4.9
79.64935	0.6
79.95742	2.6
81.03447	0.7
83.01385	3.0
85.02966	7.1
86.65856	0.6
87.00883	1.4
89.02467	1.8
93.03460	4.1
94.57732	0.6
95.01385	1.7
96.96021	25.7
97.02946	1.1
98.19862	1.0
98.95607	1.3
99.00891	2.2
99.02723	0.7
101.02456	11.1
107.01414	1.4
113.02459	6.4
117.40176	0.5
121.02972	1.0
125.02456	2.2
135.00914	0.9
135.04518	2.1
136.01654	3.7
137.02441	1.1
138.02039	0.6
143.03535	1.0
149.02431	0.9
149.06131	1.3
150.03204	2.5
151.00354	0.8
155.03529	0.6
159.03001	1.2
161.02446	1.2
161.04575	5.2
161.51189	0.6
163.00429	2.2
164.01158	3.4
165.01917	1.7
166.02710	0.8
167.03458	0.9
173.04553	2.8
177.01888	1.2
178.02702	2.2
179.03476	1.3
191.03732	1.3
191.05629	8.3
193.01454	1.5
199.04033	0.9
200.05228	0.7
206.02158	1.2
210.01617	0.7
219.03027	0.9
231.06569	0.6
241.05043	0.7
255.06714	1.0
283.11890	14.8
285.03986	0.9
299.05643	2.3
313.07129	2.2
314.07831	1.7
315.08707	1.9
325.12894	7.4
329.10397	2.6
342.07434	2.2
357.09811	58.2
358.10098	4.6
369.11328	0.6
387.10867	2.9
399.11041	1.4
421.25739	0.7
444.74133	0.8
477.14053	100.0
478.14328	9.9
497.68246	0.7
510.29764	0.6
519.15149	4.3
520.15216	1.0
608.99969	0.6
639.19843	1.3
713.94940	0.7
901.20074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01012	3.4
71.01388	43.9
71.05030	1.7
71.54293	1.7
71.54658	2.5
73.02958	19.3
79.95747	4.0
80.96517	2.1
83.01383	8.7
85.02954	17.7
87.00889	4.2
88.61230	1.8
89.02464	11.4
89.40128	1.7
93.03461	8.2
95.01418	3.6
96.96021	29.1
98.98536	2.1
99.00868	3.5
101.02452	30.7
109.02934	2.8
113.02465	15.7
119.03517	5.5
121.06635	2.0
121.10221	2.1
123.04552	1.8
123.08180	24.1
128.66669	1.7
131.03484	2.0
135.04503	2.0
137.02428	2.5
137.09698	11.2
143.03477	2.7
146.03711	1.8
147.04518	19.1
147.08214	2.1
148.04037	3.2
149.04558	4.1
150.03236	3.7
151.00362	2.0
153.09178	1.9
158.03703	2.4
159.04486	8.4
160.05315	13.2
161.02510	2.0
161.04552	16.9
161.05965	4.3
163.03951	2.6
163.11292	26.0
164.04759	8.9
167.03502	4.4
171.11783	1.7
173.04526	7.8
173.05933	3.2
173.09685	2.6
175.07671	13.2
177.05547	4.1
177.08270	1.7
178.06406	2.3
179.03503	2.4
179.05653	3.2
189.12852	46.9
191.05621	49.6
193.05098	2.2
193.08754	2.5
198.44673	1.9
203.05614	8.9
204.77078	1.8
206.02823	1.8
207.13914	59.8
207.15892	3.7
208.14153	2.5
221.06618	4.5
225.14964	20.1
227.31757	1.8
268.07321	10.3
283.09723	11.6
284.03177	6.8
284.10394	2.3
285.04150	13.2
295.10788	2.3
298.12085	6.6
299.12900	2.4
329.13977	34.4
369.13431	5.4
373.12912	9.7
387.20322	24.5
429.21289	100.0
430.21573	5.5
431.19012	4.5
447.09296	13.4
464.84061	1.9
517.18451	13.7
535.18292	71.3
536.18524	4.4
543.18542	3.1
559.20898	3.7
560.21051	2.3
561.07599	11.2
561.19897	7.1
621.63696	2.0
1025.78064	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	101.0245
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
55.01892	15.3
55.02781	3.8
57.03456	100.0
59.01386	29.8
66.33839	3.5
70.00327	14.0
71.01389	22.0
72.99313	4.6
73.02956	48.4
83.01389	4.2
91.34544	3.0
98.20517	4.4
100.94614	6.8
100.96049	6.7
100.99149	5.2
101.02454	83.2
102.05635	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	101.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	15.3
55.02781	3.8
57.03456	100.0
59.01386	29.8
66.33839	3.5
70.00327	14.0
71.01389	22.0
72.99313	4.6
73.02956	48.4
83.01389	4.2
91.34544	3.0
98.20517	4.4
100.94614	6.8
100.96049	6.7
100.99149	5.2
101.02454	83.2
102.05635	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	1011.313
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	1.2
79.13941	0.3
79.18004	0.3
79.95728	0.6
81.03458	0.9
83.01385	0.8
83.36229	0.3
85.02947	1.6
85.81856	0.3
87.00880	3.2
93.03466	17.9
96.96022	4.1
107.01397	2.1
109.02991	0.8
111.04514	1.8
119.05038	0.5
123.04512	0.4
124.01681	0.6
125.02464	5.2
127.04008	0.4
129.01984	0.4
133.02968	1.3
134.03734	2.5
135.04550	2.3
137.02457	2.2
145.03017	0.5
151.00389	9.6
151.03963	0.4
152.01192	0.3
155.03531	0.9
157.28539	0.3
159.04527	0.4
161.02472	2.5
162.03230	0.6
163.04018	0.5
165.01970	0.6
167.03502	1.5
172.05284	1.0
173.04562	10.4
173.06065	0.6
174.03258	0.5
174.04820	0.5
175.00438	0.6
175.03876	0.8
177.01904	0.5
178.02684	1.8
179.03468	1.3
182.03804	0.5
183.04399	0.5
185.06104	1.0
187.03979	1.0
187.07646	0.8
191.05620	11.5
192.05986	0.6
193.01414	0.5
196.05327	0.6
197.06294	0.3
199.04030	0.4
199.07678	0.4
200.04813	1.1
201.09183	1.1
211.07584	1.8
213.05620	0.4
214.02838	0.3
214.06329	0.3
215.03506	0.4
224.04807	0.6
225.05611	0.4
225.09134	0.6
227.03441	0.5
227.07216	0.8
229.08672	3.5
231.10304	0.5
233.06548	0.5
239.03580	0.5
239.06711	0.3
240.04276	0.5
241.78279	0.3
251.03320	0.3
253.04924	0.5
253.08716	0.9
255.06625	3.9
261.05527	1.3
264.04404	0.8
264.57648	0.3
265.05035	0.7
266.05771	0.4
275.09332	1.9
277.05133	0.6
277.08652	0.5
278.05798	0.4
279.06500	0.7
280.03867	0.5
284.03214	0.6
285.04169	0.5
293.04584	0.3
293.10342	0.7
295.09726	1.1
305.04617	3.3
306.05203	1.0
307.06223	0.8
308.03290	7.4
308.06458	0.3
309.03970	3.1
309.07693	0.9
319.09674	0.4
321.04251	0.8
322.04861	0.5
323.05606	1.4
333.04016	1.4
334.04678	0.6
335.08713	0.4
336.06448	0.9
337.03088	0.6
337.07166	10.5
338.07477	1.0
347.05557	0.4
351.04755	0.5
351.65897	0.4
363.08670	1.2
380.09100	0.9
381.09802	33.6
382.10089	2.5
413.12534	0.5
449.08316	0.6
449.14532	10.3
450.15100	0.8
467.15607	11.6
468.15964	0.9
471.09125	0.6
481.17081	1.1
543.15100	100.0
544.15509	9.1
563.21301	0.3
1011.37952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.1
57.97129	1.9
58.99613	100.0
70.99159	3.3
74.99087	2.9
78.33028	1.8
79.55099	1.7
102.98617	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.5
71.54520	0.2
71.54877	0.2
72.78841	0.2
73.02961	0.2
73.87040	0.2
79.95770	0.2
81.03446	0.3
83.01407	0.8
83.05048	0.2
85.02966	0.7
87.00879	1.2
93.03470	8.5
96.96038	1.2
107.01396	2.4
108.02213	0.4
109.03022	0.2
111.04549	0.9
113.02449	0.3
119.05062	0.2
123.04551	0.6
124.01669	0.3
125.02467	3.3
128.03549	0.2
132.02176	0.2
133.02971	0.3
134.03764	2.1
135.04570	0.8
137.02472	1.1
151.00386	10.0
152.01042	0.2
153.02037	0.2
155.03514	0.3
159.04556	0.4
161.02448	1.8
163.00381	0.3
163.03983	0.2
165.01964	0.8
167.03488	1.6
172.05299	1.2
173.04579	5.1
173.06021	0.3
175.00380	0.8
175.03973	1.0
176.01265	0.2
177.01932	0.7
178.02757	0.8
179.03545	0.5
182.03683	0.3
183.04523	0.3
185.06100	1.0
186.06935	0.3
187.04030	0.9
187.07675	0.6
188.04855	0.3
189.01930	0.3
189.05635	0.4
189.94444	0.2
191.05624	4.1
193.01407	0.4
193.05090	0.3
196.05281	0.5
197.06161	0.4
198.03201	0.3
199.03976	0.4
200.04756	1.1
200.08531	0.3
201.05562	0.2
201.09190	1.0
203.03618	0.2
209.06108	0.3
211.07637	1.8
212.04823	0.3
212.08231	0.3
213.05548	0.4
214.02727	0.3
214.06302	0.4
215.03682	0.2
215.07176	0.3
221.09703	0.2
224.04811	0.8
225.09293	0.7
226.02794	0.2
227.03583	0.5
227.07161	0.7
229.08704	3.6
231.10196	0.3
237.05571	0.4
238.06445	0.3
239.03845	0.2
239.06909	0.3
240.04335	0.7
241.05063	0.3
249.09271	0.3
250.06323	0.2
251.03575	0.2
252.07866	0.4
253.08664	1.0
255.06648	4.2
256.03812	0.3
256.07178	0.3
257.07925	0.2
261.05545	1.0
263.03519	0.5
263.07291	0.2
264.04156	0.5
265.05096	0.7
266.05966	0.2
267.02945	0.2
267.06616	0.3
267.10367	0.2
269.08350	0.5
275.09366	0.6
276.08029	0.3
277.05145	0.6
277.08658	0.5
278.05933	0.4
279.06693	0.7
280.03946	0.3
281.04453	0.2
283.02454	0.2
284.03232	0.3
285.03986	0.4
293.04846	0.2
293.08200	0.3
295.02640	0.3
295.06583	0.3
295.09808	1.5
305.04584	3.8
306.05267	0.8
307.06027	1.0
307.11865	0.5
308.03290	7.2
308.06708	0.3
309.04044	3.6
309.07697	0.8
310.04724	0.2
313.11151	0.2
319.06216	0.2
319.09717	0.4
321.04068	0.6
321.07483	0.3
322.04807	0.7
323.05576	1.7
333.04224	2.0
334.04779	0.9
335.05588	0.5
335.09305	0.3
336.06384	1.4
337.07193	10.7
337.10565	0.5
338.07642	0.7
347.05585	0.4
351.04898	1.1
352.05951	0.3
353.14301	0.2
354.03967	0.2
362.08026	0.4
363.08865	1.3
380.08994	1.1
381.09818	37.8
382.10208	2.4
413.12497	1.5
423.10699	0.4
449.14758	2.0
467.15607	0.9
471.09369	0.7
481.17227	7.0
482.17572	0.6
499.12512	0.4
513.10242	0.3
525.13153	0.2
528.09552	0.3
543.15106	100.0
544.15485	9.2
575.17755	0.8
1019.76129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
82.38737	0.3
83.01373	0.5
85.02971	0.7
87.00880	1.8
93.02869	0.5
93.03469	10.0
96.96033	2.3
101.02441	0.4
107.01419	1.8
109.02962	0.6
111.04532	1.3
121.03011	0.4
129.01990	0.4
132.02159	0.4
133.02966	9.8
133.27852	0.3
134.03752	0.9
135.04561	0.7
136.08864	0.3
137.02446	0.6
149.02441	1.2
151.00394	4.3
155.03609	0.3
161.02409	0.3
162.03165	0.3
171.04536	0.4
173.04584	4.3
175.04037	2.9
185.06128	0.4
189.05646	0.3
191.05630	3.9
192.06004	0.3
197.06035	0.4
198.03143	0.4
199.04073	2.5
201.01933	0.9
211.04166	0.3
213.05713	0.6
215.03564	0.4
217.05133	1.7
223.04054	0.4
231.10251	0.3
241.05095	1.1
243.03029	0.8
267.03070	0.3
275.09354	1.0
285.04074	100.0
286.04382	5.3
325.14539	0.6
449.14557	8.3
450.14954	0.3
467.15546	2.4
829.32538	0.5
847.33862	0.7
1021.38574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	0.3
73.02953	0.6
81.03460	1.2
83.01404	0.3
83.05024	1.1
85.02958	19.4
86.68926	0.3
87.00883	3.6
89.02493	0.4
93.03468	9.0
94.73302	0.3
95.01382	0.4
96.96040	1.4
99.00877	0.4
99.04525	1.0
101.02463	0.8
108.02206	0.4
109.02959	2.0
111.04536	2.0
113.02412	0.6
125.02424	0.4
127.04031	4.0
129.01930	0.3
133.02994	0.6
134.03743	0.3
135.04556	0.9
137.02460	0.7
143.03496	0.3
155.03494	0.4
158.03644	0.6
159.04518	0.9
161.02428	0.5
163.11269	0.3
171.03059	1.3
171.04327	0.3
172.05350	3.0
173.02492	0.3
173.03030	0.3
173.04558	3.2
173.05952	0.5
174.03244	1.7
177.69983	0.3
182.68544	0.2
183.04477	0.6
185.06082	0.7
187.04008	0.9
191.05624	100.0
192.05966	2.0
196.05257	0.4
197.06111	0.7
198.06859	0.4
199.04028	5.2
200.04794	2.0
201.05609	0.6
202.06299	0.6
204.04251	0.7
209.11821	5.0
210.03354	0.3
211.04021	1.0
213.05548	0.5
226.02676	0.3
227.03522	13.0
228.04262	5.1
233.06761	0.4
239.14420	0.3
267.13873	0.4
281.15500	0.8
283.13422	17.4
284.13766	0.9
301.14386	2.9
307.13321	0.4
309.14993	7.7
310.15567	0.3
311.12976	6.0
311.16513	0.6
325.14539	2.0
327.12381	1.6
327.16064	4.4
329.13971	2.0
335.12964	0.4
345.13293	0.4
345.17157	0.5
353.13968	14.5
354.14252	1.0
371.14975	3.2
372.15250	0.4
445.18686	0.4
565.22925	0.5
589.23047	0.6
607.23865	2.7
773.34546	2.7
775.35651	1.9
789.37665	0.7
791.38617	1.1
799.35681	1.6
817.36591	51.7
818.36823	7.1
835.37744	2.6
836.38739	0.5
849.39282	15.3
850.39838	2.1
867.40125	1.4
991.42096	1.9
1009.42822	5.5
1010.43274	0.8
1023.43774	2.5
1041.45740	11.2
1042.46619	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	1041.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02934	0.6
77.03982	0.6
81.03469	3.4
83.05043	3.1
85.02959	14.1
87.00887	12.4
87.01392	1.0
93.03470	80.4
94.03814	1.5
94.71719	0.5
95.05060	1.5
96.96021	1.9
98.19961	0.7
99.00900	1.4
99.04507	0.9
101.21823	0.5
105.03463	4.3
106.04268	0.6
107.05035	0.7
108.02197	1.6
109.02968	6.2
110.79102	0.6
111.00977	0.6
111.04527	8.4
115.04076	0.6
119.05025	0.7
121.02971	2.3
123.04550	0.9
124.01662	2.9
125.02470	2.3
126.03267	0.9
127.04025	4.3
127.50381	0.5
129.01959	1.9
132.02190	4.5
133.02975	37.6
134.03775	9.1
135.04544	74.8
136.04903	1.6
137.02443	6.2
139.04036	1.7
145.02988	0.8
149.02467	1.7
150.03218	3.0
151.04018	6.9
154.93796	0.5
155.03551	3.1
160.01700	3.0
161.02458	10.5
162.03145	0.8
163.04140	0.7
171.03000	0.7
172.05345	0.8
173.04565	26.2
174.03238	0.7
174.04826	0.6
175.03995	0.8
177.01955	9.6
177.05450	0.7
178.02718	6.6
179.03514	16.1
191.05629	91.3
192.05997	2.2
205.71735	0.6
209.11882	5.4
211.13423	1.7
215.05600	6.9
215.07494	0.6
283.13367	1.0
307.08276	1.4
308.09015	2.5
309.15045	3.0
325.14404	0.8
327.16019	3.1
335.07913	1.2
345.17181	0.6
351.07248	12.8
352.07965	2.8
353.13922	3.2
371.15228	0.8
499.28867	0.7
563.26349	0.5
600.24457	0.6
607.23840	1.1
673.34857	0.8
773.36237	0.9
791.38867	2.4
799.35138	1.4
817.36566	19.6
818.37012	3.3
835.37805	4.0
849.39191	7.3
850.39722	1.3
867.40411	2.3
868.39594	0.7
1009.42957	42.9
1010.43152	7.3
1041.45581	100.0
1042.45935	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	1047.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95746	32.8
80.96523	0.7
93.03445	0.4
95.95245	9.8
96.96021	66.3
97.95965	0.2
101.02469	0.1
108.02169	0.4
109.02940	0.3
110.96851	0.2
110.97591	4.4
114.38390	0.1
115.42803	0.1
123.04534	0.2
137.02443	1.5
141.95799	1.0
148.99147	0.2
149.99928	0.8
150.03255	0.2
151.03957	0.2
159.04483	0.2
160.05278	0.4
160.94467	0.1
161.02391	0.3
161.06117	0.2
163.04001	0.5
164.98613	0.3
172.85611	0.2
173.04504	0.2
173.05843	0.2
175.07664	0.2
177.05600	0.5
178.06348	0.2
179.03526	0.4
180.04308	0.2
181.98842	0.2
183.11949	0.1
191.03964	0.1
191.05626	0.6
194.05780	0.2
195.06607	0.5
207.06662	0.2
209.08076	0.2
220.07362	0.1
241.08701	0.2
243.20679	0.2
257.01263	0.2
259.02802	1.6
273.04398	0.3
275.02328	0.8
284.03329	0.3
297.14746	0.1
299.05518	0.2
301.03964	0.4
303.01993	0.2
315.05414	0.9
329.14005	0.8
343.81256	0.1
385.18811	0.2
392.69211	0.1
415.93976	0.2
420.26886	0.1
424.02924	0.3
424.08353	3.3
425.08481	0.3
439.10703	100.0
440.11038	7.1
513.11017	1.2
520.90344	0.1
807.81183	0.1
990.41907	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	1049.6798
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	15.2
80.96523	0.3
85.38376	0.1
87.27087	0.1
87.87019	0.1
95.99661	0.1
96.96986	0.3
100.15278	0.1
122.98537	0.4
134.98555	0.1
152.99588	2.7
165.30527	0.1
168.04333	2.4
171.10336	0.2
194.05930	0.1
211.51401	0.1
224.06946	7.9
225.07140	0.2
237.22292	0.2
242.08015	2.0
255.23302	100.0
256.23639	5.2
391.06470	0.1
451.80109	0.1
480.30948	98.6
481.31290	6.6
495.27271	0.7
553.27039	0.3
554.27344	0.2
554.34680	4.3
555.34949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.5
83.02196	0.1
85.02950	0.3
93.03479	0.8
96.96004	0.5
100.13118	0.1
101.84708	0.1
102.34332	0.1
107.01395	1.5
109.02940	0.2
121.02979	0.2
132.02213	0.3
133.02963	6.9
134.03720	0.2
135.04507	0.3
143.28085	0.1
149.02454	1.2
151.00380	4.6
166.32481	0.1
169.06587	0.2
171.04512	0.3
173.04553	0.4
175.04012	2.4
177.01811	0.2
179.03535	0.3
181.68636	0.1
183.04529	0.2
185.06078	0.3
189.05536	0.3
191.05600	2.0
197.06087	0.2
198.03271	0.4
199.04031	2.1
201.02013	0.6
211.03996	0.3
213.05583	0.5
215.03578	0.4
217.05054	1.6
223.04013	0.3
226.02725	0.1
227.03583	0.2
229.05115	0.2
239.03407	0.2
240.04227	0.3
241.05104	1.0
243.03044	0.8
255.03030	0.6
255.06400	0.3
256.03864	1.0
257.04556	0.5
267.02933	0.2
283.02451	0.2
284.03296	26.0
285.04065	100.0
286.04413	4.6
297.03998	0.2
299.05630	30.6
300.05942	1.3
311.07559	0.1
335.07837	0.2
447.09329	15.1
448.09613	1.1
449.14703	0.3
513.09906	0.1
547.06500	0.1
607.16754	12.4
608.17462	0.9
1087.19556	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	1057.378
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02951	4.8
76.67114	0.3
79.01926	0.3
81.03445	0.4
83.01393	2.4
85.02962	4.2
87.00884	0.8
89.02456	7.0
93.03475	0.5
95.01408	1.7
95.05016	0.2
96.96072	0.3
97.02965	1.2
99.00899	0.7
100.18159	0.2
101.02456	10.4
107.01373	1.2
108.02177	0.4
113.02461	7.9
119.03507	2.4
121.02959	0.9
122.03753	0.3
123.00880	0.5
125.02451	2.4
125.46061	0.2
128.42599	0.2
131.03508	0.8
133.03044	0.3
134.03775	0.5
135.00876	1.4
135.04544	1.0
136.01691	3.9
137.02414	0.9
143.03500	1.4
145.03001	0.2
147.04506	0.5
148.01672	0.3
149.02457	1.2
149.04555	2.0
149.06059	0.6
150.03252	1.9
151.00328	0.3
159.02977	0.3
161.02467	0.3
161.04576	4.4
163.00375	2.9
163.04008	0.4
164.01178	3.3
165.01970	1.9
166.02654	0.4
168.00464	0.3
169.12358	0.4
175.00334	0.4
175.04060	0.4
177.01866	1.2
178.02721	2.2
179.05612	1.5
189.99117	0.5
190.99884	0.9
191.03526	0.8
191.05600	0.5
192.00697	1.1
193.01410	1.2
199.04031	0.7
201.02042	0.3
203.03683	0.3
203.05640	0.5
205.01457	1.0
206.02179	0.9
210.01665	1.2
213.05603	0.6
215.03618	0.4
219.02956	1.3
221.06650	0.8
227.07135	0.3
231.06480	0.5
241.04956	0.4
243.06508	0.4
253.04971	0.3
255.06647	0.9
257.04663	0.4
265.05084	0.4
269.08313	0.3
271.06165	0.5
272.06876	0.3
281.04446	0.3
283.06259	0.6
285.04144	0.3
286.08264	0.3
287.09274	0.8
289.10934	0.3
298.08447	0.4
299.05634	1.0
313.07220	2.6
313.10657	0.4
313.16534	1.4
314.08002	1.8
315.08752	1.4
327.05084	0.7
327.08658	0.5
329.10324	2.0
331.17645	6.6
332.18039	0.3
339.08957	1.2
341.06671	0.3
342.07355	2.2
353.10062	0.5
357.09811	58.8
358.10187	3.2
369.09689	0.8
373.18695	21.4
374.19061	1.1
381.09647	0.6
387.10873	2.3
399.06415	0.3
399.10666	1.4
477.14044	100.0
478.14432	6.9
491.15851	0.4
519.15118	3.3
571.73413	0.3
639.19470	0.9
648.72327	0.3
682.16443	0.2
731.07794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
77.04008	0.6
81.03462	2.0
83.05024	1.6
85.02963	7.8
86.03329	0.3
87.00884	9.2
89.04015	0.3
93.03469	57.1
94.03809	0.9
95.05029	1.0
97.02992	0.4
99.00906	0.6
99.04532	0.6
105.03481	3.7
106.04282	0.4
107.05032	0.4
108.02186	0.8
109.02978	2.6
111.00912	0.5
111.04539	6.0
113.02431	0.3
121.02950	1.0
123.04554	0.8
124.01672	1.6
125.02471	0.7
127.04035	2.2
129.01956	1.3
132.02177	2.9
133.02974	27.0
134.03781	6.5
135.04544	26.1
136.04857	0.3
137.02461	3.2
139.04050	1.4
149.02426	0.5
149.06062	0.3
150.03233	1.4
151.04031	2.5
155.03532	2.1
160.01686	2.7
161.02467	4.9
171.03026	0.5
173.04570	14.1
174.04924	0.4
176.74182	0.3
177.01958	9.1
178.02718	5.4
179.03516	6.3
187.46072	0.3
189.05391	0.5
191.05629	52.2
192.05911	1.1
211.13409	1.1
213.23087	0.3
213.25087	0.3
215.05621	2.4
229.30199	0.4
277.21747	1.2
283.13382	0.6
299.16330	0.3
307.08286	0.6
308.09076	1.5
309.14960	1.1
327.16083	1.5
351.07248	5.6
352.07852	0.9
353.09448	0.3
353.13974	1.1
371.14972	0.5
607.24103	0.6
823.45789	0.4
841.47510	1.4
849.44330	0.8
867.45300	14.0
868.45221	2.5
885.46344	3.6
886.47009	0.6
1059.51770	100.0
1060.52124	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	1059.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
74.46652	0.3
77.03970	0.3
80.24291	0.3
81.03474	1.4
83.05038	1.2
84.76341	0.3
85.02957	5.8
87.00880	8.0
89.03990	0.3
89.50547	0.3
93.03468	56.6
94.03803	0.9
94.19172	0.4
95.05054	1.1
99.00884	0.8
99.04504	1.0
105.03461	2.5
107.05058	0.5
108.02194	1.2
109.02971	2.7
111.00911	0.5
111.04520	5.9
113.02474	0.5
115.04074	0.4
121.02964	1.7
121.39220	0.3
122.03718	0.5
123.04536	0.7
124.01685	2.3
125.02459	1.6
126.03263	0.6
127.04032	1.5
129.01945	0.8
132.02188	2.1
133.01933	0.6
133.02971	19.2
134.03777	6.0
135.04538	47.7
136.04868	0.8
137.02463	2.8
139.04059	0.4
149.02438	1.0
150.03235	1.6
151.04033	4.9
155.03528	1.5
160.01660	2.0
161.02464	3.1
173.04561	12.9
173.06067	0.8
177.01959	5.6
178.02721	3.5
179.03523	9.7
180.04248	0.5
191.05627	41.4
192.05919	0.9
195.02856	0.4
211.13441	0.9
215.05618	4.2
219.04575	0.3
277.21689	1.0
291.49136	0.3
307.08261	1.1
308.09119	2.6
309.15012	0.8
310.51648	0.4
327.16077	0.8
351.07266	8.6
352.07870	1.8
353.13913	1.1
489.54776	0.4
583.62506	0.4
607.23907	0.5
823.45471	0.5
841.46936	0.6
867.45447	16.9
868.45465	2.5
885.46503	2.4
1041.50500	1.3
1059.51770	100.0
1060.52014	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03481	1.0
83.01408	0.3
83.05040	0.5
85.02960	17.1
86.03295	0.4
87.00880	3.6
89.02477	0.5
93.03468	11.4
95.01395	0.6
96.96056	0.5
97.02986	0.4
98.19885	0.6
99.04547	1.3
101.02444	1.0
109.02971	1.8
111.04536	1.9
113.02459	0.8
115.83939	0.3
125.02406	0.3
127.04017	5.0
133.02951	0.8
134.03743	0.4
135.04558	0.6
137.02473	0.6
143.03511	0.3
153.07161	0.4
155.03528	0.6
158.03706	0.9
159.04506	1.6
171.03094	1.8
171.04401	0.5
172.05302	2.5
173.02466	0.9
173.04561	3.4
173.06013	0.5
174.03246	3.2
177.01967	0.4
183.04578	0.5
184.05269	0.4
186.03210	0.5
187.04044	0.9
191.05629	100.0
192.05992	2.0
197.06157	0.9
198.06903	0.8
199.03995	1.8
200.04819	0.6
204.04239	0.4
209.11873	0.8
211.07597	0.5
227.03506	4.4
228.04199	2.1
233.06650	1.0
241.21629	0.5
253.16278	0.4
265.15955	0.6
277.21783	2.3
279.23288	0.5
281.15598	2.7
283.10211	0.7
283.13425	7.7
283.16629	0.5
299.13303	0.3
299.16504	0.5
301.14459	2.5
309.14966	11.1
310.15317	0.7
311.12961	2.9
325.14481	1.6
327.12451	0.5
327.16046	6.3
329.13971	2.4
343.15503	0.6
353.13950	9.4
354.14304	0.5
371.15076	2.6
372.14746	0.4
397.13623	0.3
504.30942	0.6
565.22498	0.4
577.25732	0.4
578.27448	0.3
589.22845	0.6
607.23932	4.0
608.24512	0.5
683.87897	0.3
807.43567	0.7
823.45642	1.5
825.44421	5.4
826.44708	0.7
839.45929	1.2
841.46539	1.1
849.44476	2.9
850.44916	0.6
867.45435	59.3
868.45599	7.0
885.46582	3.4
886.47650	0.4
1041.50647	10.5
1042.50903	1.9
1059.51758	9.5
1060.52759	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	106.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01928	17.6
65.01459	35.5
66.01804	1.4
68.55867	1.3
71.37218	1.8
72.35255	1.2
75.48423	1.2
96.46856	1.3
98.50450	1.5
101.65765	1.3
106.04118	100.0
107.03661	11.4
107.04445	4.8
109.66758	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	106.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45710	1.9
64.01927	20.9
65.01455	33.7
70.08694	8.0
89.88151	2.1
90.72127	1.8
98.20314	4.5
106.04125	100.0
107.03644	10.6
107.04453	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	106.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98209	0.3
64.00671	0.8
64.01928	20.4
65.01456	36.2
65.99862	0.6
66.00953	0.8
66.01782	0.5
69.18747	1.9
69.19164	1.3
79.03043	0.7
98.20670	0.7
104.88219	0.3
105.18651	0.3
106.04120	100.0
107.02531	0.5
107.03662	9.8
107.04458	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	106.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78212	0.3
63.45130	0.4
64.01926	19.3
65.01456	37.6
65.02224	1.0
65.99855	0.7
66.00974	1.1
66.01775	0.7
70.83903	0.8
72.17187	0.4
79.03027	1.0
105.96030	1.4
106.04120	100.0
107.02507	1.0
107.03651	12.8
107.04451	4.4
113.51564	0.4
122.49442	0.4
124.07677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95924	1.0
80.96519	3.7
81.03463	1.9
83.05025	1.3
85.02969	5.6
87.00881	7.7
93.03468	58.0
94.03812	1.3
95.05051	1.2
96.96019	2.7
105.03458	2.4
107.05029	1.0
109.02966	2.6
111.04540	4.3
121.02988	1.1
124.01630	1.8
125.02473	1.8
127.04015	1.7
129.01976	1.3
129.83716	0.8
132.02197	1.8
133.02972	21.9
134.03746	6.5
135.04538	45.7
136.04834	1.3
137.02446	2.1
150.03238	1.5
151.04022	3.1
155.03520	1.4
160.01640	2.0
160.94931	0.8
161.02441	2.9
161.48921	1.1
173.04567	13.7
175.03886	0.9
177.01921	7.4
178.02693	4.0
179.03526	10.6
191.05629	41.6
192.05975	1.2
215.05626	3.1
219.73000	1.0
255.23274	2.4
264.72333	0.9
277.91641	0.9
307.08170	1.1
308.09015	1.5
309.14874	1.2
327.16000	1.2
351.07233	7.3
352.07977	1.6
372.96143	0.9
424.79715	0.9
483.27365	1.9
555.28467	11.5
843.49438	1.5
869.47089	16.7
870.46930	2.6
887.48163	1.9
1061.53345	100.0
1062.53894	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	1075.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	1.2
83.05050	1.1
84.05247	0.6
85.02968	4.6
87.00889	7.6
93.03471	50.2
95.05034	0.9
96.96017	1.8
99.04521	1.2
105.03483	2.4
108.02168	1.4
109.02959	1.8
111.04530	4.8
123.04713	0.8
124.01665	2.1
127.04016	1.6
132.02150	1.5
133.02975	17.6
134.03784	4.4
135.04544	45.2
137.02455	2.7
150.03242	1.9
151.04022	4.8
155.03558	1.6
158.64426	0.9
160.01619	1.1
161.02467	3.6
171.91403	0.7
173.04558	12.9
175.44307	0.7
177.01961	5.9
178.02728	3.1
179.03522	10.4
191.05630	39.2
192.05952	1.5
200.48553	0.7
215.05586	3.4
307.08337	1.5
308.09015	1.5
309.15015	0.7
327.15973	0.8
341.13635	0.9
351.07230	6.3
352.07617	1.3
353.13693	0.9
421.28983	0.7
557.20526	1.0
617.37915	0.8
714.14777	0.9
755.87579	0.8
857.46802	1.1
883.45007	13.9
884.45013	2.4
901.45337	1.9
1057.49756	1.0
1075.51245	100.0
1076.51550	17.0
1114.81213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
77.51988	0.1
80.02687	0.6
81.03463	1.0
81.65289	0.2
83.01394	0.5
83.05035	3.6
84.02171	0.5
85.02964	1.8
87.00894	0.7
89.02460	1.1
93.03462	0.5
95.01386	0.4
95.05041	0.6
97.06618	0.2
99.00898	0.7
101.02450	3.2
109.06593	0.3
113.02465	2.0
119.03527	0.4
125.02492	0.1
125.06079	0.4
125.09715	0.1
135.04547	0.2
135.08179	0.5
143.03502	0.3
145.05072	0.3
147.11789	0.2
159.02966	0.3
161.04582	1.6
163.11314	3.2
164.11642	0.1
165.11600	0.2
165.12869	1.9
171.10278	0.6
173.04535	0.2
179.03517	0.2
179.05641	0.3
181.12367	0.5
191.05637	1.1
191.10864	0.9
209.11847	100.0
210.12186	3.1
210.14232	0.2
221.11674	0.2
227.12906	13.3
228.13190	0.3
235.08234	1.9
247.13496	0.5
253.09319	5.2
265.14478	0.2
315.18167	2.9
326.84415	0.1
357.19235	3.5
401.23364	0.1
419.24030	0.2
427.20111	0.2
445.20840	2.5
463.21835	0.2
465.76016	0.1
553.22101	0.1
611.30878	0.3
637.32495	1.3
638.32629	0.1
655.33624	0.3
673.34424	0.3
1031.45288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00327	3.1
54.24506	1.1
57.08922	1.1
58.02979	1.6
62.36930	1.2
65.01460	3.6
65.03959	2.0
67.01926	1.3
67.03020	26.8
68.01395	1.9
69.19125	5.8
69.19554	6.4
79.03046	1.4
80.02680	3.6
81.03464	3.9
81.04578	1.3
82.02991	5.1
91.01903	3.4
107.03764	2.8
108.02187	77.4
108.04564	32.3
108.05273	2.3
109.02968	100.0
109.04019	6.6
109.06593	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	108.0219
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
50.00331	2.0
58.02971	3.1
59.67882	1.3
59.82845	1.1
62.50866	1.1
65.01449	2.5
66.03490	2.0
67.01896	1.4
67.03021	23.8
71.53625	2.1
79.03027	1.9
80.02684	4.5
81.03460	3.5
82.02998	2.4
91.01903	4.8
94.44475	1.3
107.03786	1.8
108.02186	85.4
108.04558	26.0
109.02972	100.0
109.04030	6.6
109.06558	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	1109.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95746	11.5
80.96534	1.6
88.31199	0.1
93.03473	0.5
94.98092	0.6
95.05074	0.2
95.95245	9.1
96.96021	100.0
97.95990	0.1
105.03461	0.9
110.97582	0.4
121.02954	0.4
122.97596	4.2
133.02979	0.8
137.02434	0.2
151.00372	0.3
151.04025	4.4
160.59843	0.1
161.02452	13.5
162.02827	0.4
164.04851	0.2
165.01950	1.6
166.02679	0.2
175.04007	0.2
176.04802	7.7
177.01909	0.9
177.05217	0.3
178.02742	0.4
179.03508	24.7
180.04245	1.9
181.05081	0.3
191.05635	0.4
191.07143	3.7
192.04301	1.0
192.07530	0.2
193.05069	0.8
194.05852	22.6
195.06601	2.3
207.06685	0.4
209.08206	16.1
209.83168	0.1
210.05363	0.2
210.08540	0.5
225.07683	1.4
273.00861	0.4
275.02466	0.3
284.03387	0.2
285.04034	1.5
288.03101	0.5
289.03915	0.5
305.03387	8.2
306.03842	0.2
315.27042	0.1
515.12299	92.4
516.12616	5.8
516.20447	0.3
517.12524	0.2
593.15448	1.0
705.16522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01879	4.1
56.75570	2.1
67.01896	57.6
71.01376	2.0
71.14577	4.1
78.95911	100.0
83.01395	14.5
98.20003	2.3
110.97613	4.3
110.98570	1.9
111.00893	69.5
112.01188	3.0
112.07707	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	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	9.2
56.77943	1.3
58.99168	1.3
67.01897	47.8
68.02216	2.2
69.94434	4.4
71.01414	2.3
78.95913	100.0
79.95753	3.1
83.01392	23.2
89.65217	1.7
110.97591	7.7
110.98430	1.9
111.00893	68.2
111.04519	1.9
112.01208	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	111.009
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
55.01875	33.5
67.01894	71.9
70.72285	22.5
70.72625	8.0
78.95919	51.2
83.01395	77.3
84.01748	11.3
111.00903	100.0
111.02031	15.9
111.75363	7.3
120.52993	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	1110.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95912	26.4
86.20771	0.2
99.57877	0.2
104.97495	0.2
122.00163	0.9
122.98572	0.2
140.01205	5.8
152.99637	1.7
166.02731	0.3
174.58891	0.2
196.03812	8.7
214.04878	2.2
225.30841	0.2
237.22166	0.2
255.23315	100.0
256.23666	5.3
267.46884	0.2
310.21475	0.2
344.02328	0.2
361.94141	0.2
376.43155	0.2
452.27863	51.7
453.28125	3.4
455.28378	0.2
599.21246	0.4
657.22394	0.5
681.38654	0.2
718.09589	0.2
854.26617	0.3
913.46118	0.6
1002.38611	0.2
1110.50659	32.3
1111.50854	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	1113.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01915	0.3
81.03463	1.0
83.01395	6.2
84.01733	0.4
85.02962	8.6
87.00890	1.4
89.02456	2.1
93.03452	1.2
95.01391	2.2
96.96010	0.6
97.02980	1.4
99.00880	3.0
99.04544	0.4
101.02452	20.4
105.03397	0.3
107.01403	1.4
107.05061	0.4
108.02163	0.5
109.03004	0.4
111.00861	0.3
113.02467	11.6
119.03507	1.5
119.05020	0.4
121.02944	1.2
122.03746	0.6
123.00855	0.8
123.08167	0.4
125.02470	4.4
127.03976	0.3
129.01947	0.3
130.41446	0.3
131.03477	1.4
133.03000	0.3
134.03711	0.9
135.00916	1.6
135.04562	1.8
136.01677	5.0
137.02429	1.1
137.09727	0.6
139.00388	0.3
143.03531	2.7
145.10309	0.6
147.04565	0.5
149.02435	1.3
149.04578	2.5
149.06062	1.5
149.09825	0.4
150.03212	2.4
151.00366	0.7
151.11308	1.8
155.03502	0.7
157.58107	0.3
159.02980	1.1
159.04666	0.3
161.02466	0.6
161.04565	10.9
161.09715	0.5
162.04784	0.4
163.00421	2.7
163.11292	4.3
164.01152	4.6
164.11531	0.4
165.01990	2.1
166.02747	0.4
167.03474	0.6
173.04523	1.4
175.03987	0.6
177.01941	1.1
177.12785	0.7
178.02744	2.9
179.03426	0.5
179.05611	0.7
179.14490	0.4
181.12350	3.6
187.11345	0.7
189.02016	0.4
189.12874	3.0
189.99059	0.5
190.99826	0.8
191.03560	0.8
191.05612	1.8
192.00618	0.7
193.01468	1.8
193.05055	0.7
195.13847	0.5
197.15492	0.4
199.03999	0.7
201.01923	0.3
203.03693	0.3
203.05609	7.9
205.01462	0.9
205.12334	3.1
206.02228	1.3
206.12549	0.6
207.13936	8.2
210.01721	1.8
213.05576	0.4
215.03535	0.6
218.05748	0.4
219.02983	1.2
221.06686	2.0
225.14984	10.7
227.07265	0.5
229.12276	0.4
231.06505	0.6
238.01245	0.4
241.31848	0.4
249.14984	0.6
253.04985	0.3
255.06624	1.1
257.04501	0.5
261.14978	0.4
267.15839	0.4
269.08163	0.6
270.08969	0.4
271.06082	1.0
271.09656	0.7
272.06927	0.5
273.07953	0.4
281.04477	0.4
283.06213	0.6
285.11377	0.5
287.09256	0.6
289.10843	0.3
291.16156	0.7
297.07687	0.6
298.08514	0.3
299.05707	1.5
300.06107	0.4
309.04236	0.4
309.17023	0.8
313.07214	2.8
313.10425	0.6
314.08072	2.5
315.08655	1.3
325.16623	1.5
327.05228	0.6
327.08945	0.8
329.06769	0.6
329.10291	2.2
339.08759	1.3
341.06506	0.5
342.07498	2.6
346.06827	0.4
351.18109	0.7
353.10303	1.0
355.08365	0.5
357.09811	72.2
358.06152	0.5
358.10168	5.8
359.10324	1.1
369.09818	0.8
369.19199	7.8
370.19632	0.4
381.09933	1.0
383.11420	0.3
385.18594	0.3
387.11011	2.5
387.20239	10.2
388.20837	0.4
399.10788	1.9
411.20358	1.3
429.21326	26.2
430.21664	1.4
473.20297	0.4
477.14044	100.0
478.14407	10.6
479.14716	1.8
491.15985	0.6
498.77621	0.3
513.00867	0.3
519.15112	7.3
520.15466	0.6
533.60577	0.3
639.19312	2.8
951.30713	0.7
1017.27313	0.4
1113.34827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02717	0.1
83.01396	0.3
83.05051	0.5
85.02975	0.3
87.00870	0.1
89.03951	0.8
92.04434	0.1
93.03457	0.8
95.05061	0.2
96.95998	0.2
105.03474	0.5
106.04267	0.1
107.01382	0.2
107.05000	0.1
108.02195	0.1
113.02471	0.6
117.03482	10.0
118.03777	0.2
119.05042	27.1
120.05355	0.7
121.02971	1.9
123.04550	0.5
131.05043	0.2
132.02196	2.3
132.05844	0.4
133.02972	3.8
133.06639	0.2
134.03758	39.1
135.04613	2.3
136.01654	0.3
137.02458	1.2
139.03999	0.3
143.05013	0.5
145.02968	13.7
145.06633	0.4
146.03310	0.4
147.04550	0.7
147.08185	0.1
148.05338	0.5
149.02463	0.2
149.06100	4.0
151.00407	0.2
151.04028	0.2
157.06538	0.2
159.04533	0.5
160.01680	7.8
160.05336	0.3
161.02483	2.4
161.04716	0.2
161.06087	0.9
162.03224	0.3
163.04027	23.3
163.11316	0.3
164.04317	0.6
165.12956	0.3
171.10312	0.3
172.05267	0.2
173.04628	0.2
175.04010	5.5
175.07506	0.2
176.04478	0.2
177.02049	0.7
177.05579	4.6
178.02686	1.1
178.05992	0.2
179.03485	0.6
189.05522	0.2
190.06335	0.2
191.05630	0.9
193.05072	24.2
194.05389	0.8
204.04372	0.4
205.08600	0.2
209.11845	17.4
210.12213	0.6
215.49594	0.1
219.06656	2.0
221.04547	0.2
223.09735	0.2
227.12924	2.7
234.05357	1.5
235.06131	2.2
235.08218	0.3
236.70570	0.1
237.07724	1.3
249.07683	1.5
252.06383	0.9
253.09381	0.8
267.08670	1.3
285.03934	0.2
296.03079	0.2
309.04025	0.1
381.09784	0.4
398.10077	1.5
413.12442	100.0
414.12778	6.7
445.20798	1.1
454.11511	0.1
617.58264	0.1
637.32416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
78.92941	0.1
79.95744	14.0
80.96522	8.7
93.03450	0.3
93.97308	0.3
95.05031	0.1
95.95244	30.0
96.96018	100.0
97.95959	0.2
98.19886	0.2
101.53280	0.1
105.03437	0.5
108.57139	0.1
109.02963	0.2
110.97578	0.1
121.02944	0.4
123.00900	0.3
123.04495	0.1
125.02467	0.2
133.02946	0.4
135.04527	0.1
137.02435	0.7
138.03235	0.9
139.00400	0.2
139.04068	0.1
149.02452	1.2
150.03177	0.3
151.04012	1.6
153.01932	0.2
153.05588	1.1
161.02455	4.8
162.02917	0.1
164.04800	1.3
165.01938	7.1
165.05525	0.4
166.02290	0.2
168.04282	0.3
173.04558	0.1
173.78831	0.1
175.00386	0.1
176.01126	0.3
176.03334	0.2
176.04785	2.6
177.01945	2.6
177.05325	0.1
178.02704	0.1
179.03511	8.3
179.07034	0.4
180.04288	10.0
181.04637	0.3
191.03658	0.5
191.05576	0.4
191.07065	0.9
192.04305	3.0
193.01433	1.2
193.04971	0.3
194.05852	6.9
195.06631	15.2
196.06989	0.4
203.55518	0.1
207.06641	3.5
208.03789	1.6
208.06815	0.1
209.08206	5.2
210.08636	0.2
223.06142	3.2
224.06578	0.1
244.00446	0.9
245.01202	0.4
275.02328	21.6
276.02670	0.6
284.03247	0.3
299.05554	0.2
303.01831	7.5
304.02145	0.2
305.03204	0.1
305.73230	0.1
336.01508	0.2
403.25323	0.1
433.15118	0.7
439.10678	0.6
513.10730	46.1
514.10999	3.2
607.16223	0.2
742.99866	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	1123.49
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	62.0
79.95745	1.0
80.96530	3.1
88.10697	0.6
94.98074	0.6
96.96972	4.7
99.38847	0.5
122.88456	0.5
150.98006	0.7
152.99597	65.1
153.99911	0.6
162.64267	0.6
171.00647	18.5
189.10916	0.6
225.00739	1.1
227.03233	3.5
245.04324	80.5
246.04698	1.5
253.21739	40.2
254.22044	1.2
281.24866	1.8
369.72797	0.7
481.25748	100.0
482.26208	6.2
482.32645	1.0
623.13654	0.7
709.37067	0.8
795.22937	1.3
1123.49023	27.4
1124.48877	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	113.0611
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01872	8.9
57.03456	39.3
67.01895	3.0
68.01418	2.7
68.99572	37.5
69.03458	12.5
71.01384	11.0
71.11034	5.8
71.11374	4.2
72.00908	7.0
72.50175	2.6
81.03461	16.5
83.01399	5.4
84.02180	19.5
85.02956	100.0
86.02482	5.4
96.00911	2.5
109.58735	3.1
110.80774	2.4
113.02460	61.4
113.06095	38.3
114.01997	4.6
114.02774	4.6
114.05633	13.6
115.86803	2.6
121.48897	2.4
122.00854	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	1133.6397
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03449	0.1
81.74369	0.1
83.05035	0.2
85.02945	0.2
93.03459	0.3
96.95973	0.1
98.36366	0.1
101.02456	0.4
103.26870	0.1
113.02468	0.3
119.03522	0.1
130.69591	0.1
137.02432	0.1
141.59108	0.1
149.02454	0.1
150.03273	0.6
161.04605	0.1
165.05553	0.6
173.04572	0.1
179.03528	0.1
181.05058	0.2
191.05653	0.2
191.08690	0.5
192.09479	1.1
195.06671	0.2
206.07310	0.7
207.08180	0.6
219.06516	0.2
219.08157	7.4
220.08940	55.9
221.09305	3.1
225.16100	0.1
233.06067	0.2
233.09665	0.1
234.06830	1.2
240.08440	0.1
247.07674	4.5
248.08435	81.5
249.09184	70.9
250.09547	4.0
261.09109	0.2
263.10791	1.7
273.09119	0.7
276.07761	0.1
280.07236	0.1
291.10306	1.7
292.10767	0.2
303.10349	0.2
321.10950	0.1
370.29211	0.1
411.14508	19.4
412.14886	1.4
417.15692	0.2
455.13495	100.0
456.13849	7.1
565.21344	0.1
677.49811	2.7
678.50183	0.4
761.27759	0.2
809.30768	0.2
1171.93237	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	1135.7128
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03466	3.3
81.90495	0.1
83.01392	3.2
83.05031	7.5
84.05347	0.2
85.02956	1.9
89.02467	1.2
95.01402	0.6
97.02962	0.2
98.20657	0.2
99.00880	0.1
101.02451	9.4
107.06153	0.3
108.04578	0.3
113.02464	3.4
119.03516	1.1
125.02451	0.4
125.07217	0.6
126.05597	0.2
131.03474	0.9
143.03523	0.8
143.08279	0.2
149.04573	2.1
150.03328	0.2
155.03497	0.2
157.13457	0.1
161.04575	3.6
165.05641	0.2
173.04512	0.2
178.68695	0.2
179.05609	0.3
191.05647	0.5
192.09396	0.2
201.45702	0.2
203.05614	1.1
207.15036	0.8
219.08202	1.5
220.08932	10.4
221.06754	1.3
221.09274	6.4
222.09598	1.0
224.17676	1.6
225.16096	9.4
226.16432	0.3
234.06725	0.2
242.18828	0.3
247.07651	0.8
248.08427	14.9
249.09018	18.6
250.09470	9.0
251.09894	1.6
263.10898	0.3
264.11273	0.1
268.16858	0.2
290.22379	0.2
291.10284	0.2
309.21783	0.4
324.26431	0.4
333.22995	0.4
341.29282	0.7
351.23981	0.2
367.27011	0.9
371.20792	0.6
385.28058	0.2
407.33673	0.2
411.14514	2.7
412.14822	2.9
413.15213	1.0
413.21881	1.5
433.31732	0.9
450.34598	0.8
451.32944	7.2
452.33224	0.5
455.13495	13.0
456.13828	14.8
457.14096	7.8
458.14343	0.3
466.17804	0.1
468.35596	0.2
550.43665	1.2
559.39569	0.4
559.59521	0.2
565.44843	0.4
567.45776	0.2
593.44196	0.7
659.48560	2.5
660.49005	0.5
677.49725	100.0
678.50000	11.5
679.50537	0.4
867.32825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	1.3
83.05032	1.2
85.02953	7.0
87.00883	6.3
89.03970	0.8
93.03466	38.6
94.03809	0.9
95.01397	0.4
96.96022	1.1
97.02974	0.3
99.00900	0.7
99.04523	0.9
101.02424	0.2
105.03478	0.4
107.05049	0.2
108.02199	0.4
109.02966	1.2
111.00889	0.3
111.04530	5.0
113.02456	0.6
115.04062	0.2
117.03482	1.6
121.02978	0.5
122.67145	0.2
123.04514	0.2
124.01675	1.2
125.02461	0.8
126.03212	0.3
127.04030	2.1
129.01936	0.6
132.02187	2.9
133.02979	2.8
134.03755	5.4
135.04538	21.4
136.04910	0.6
137.02502	1.3
143.03526	0.4
145.02895	0.2
150.03246	0.8
151.04018	1.9
153.01961	0.3
155.03520	1.6
158.03696	0.2
160.01675	9.1
161.02452	1.0
161.06042	0.2
162.03246	2.2
163.04019	0.2
171.02983	0.4
173.04559	19.0
174.04929	0.6
177.01970	1.3
178.02731	1.5
179.03529	3.8
180.04173	0.4
181.05066	0.2
187.04063	0.3
187.07790	0.3
191.05623	100.0
192.05948	2.3
193.06206	0.2
209.11853	0.5
213.09236	0.6
215.05495	0.8
231.10294	0.6
247.43846	0.2
255.03206	0.2
257.08206	5.5
258.08481	0.3
275.09262	5.2
276.09634	0.5
290.07938	0.3
307.08218	1.2
308.09070	2.7
323.07727	0.4
351.07248	5.2
352.07993	6.6
353.08395	0.4
353.13867	0.2
375.24103	0.2
449.14548	67.9
450.14853	5.4
563.21094	0.3
935.37970	0.2
1123.48059	0.2
1141.49939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.6605
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95749	1.5
81.03469	1.6
83.01430	0.2
83.05041	1.5
85.02964	1.1
87.00887	9.4
93.03469	74.3
94.03802	1.2
95.01375	0.3
96.96021	16.9
97.02980	0.2
97.06593	0.9
98.20752	0.3
99.00907	1.4
99.04536	1.1
101.02419	0.3
105.03516	0.2
108.02160	0.2
109.02969	1.1
111.00861	0.3
111.04536	9.4
113.02453	0.9
115.04041	0.5
121.02974	0.3
127.04038	0.2
127.27197	0.1
129.01964	1.9
129.88673	0.2
133.02968	2.5
134.03760	18.9
135.04552	7.4
136.01698	0.2
136.04855	0.2
137.02458	3.4
139.04001	0.5
143.03500	0.6
151.03984	0.2
153.01961	0.2
155.03520	3.6
160.01694	0.4
161.02473	0.2
171.03044	0.2
173.04562	40.2
174.04918	0.5
174.06866	0.2
177.01944	2.6
178.02731	9.9
179.03513	3.7
181.05104	0.2
187.07683	0.3
191.05637	4.9
192.05945	0.2
202.06393	0.1
203.10825	0.2
213.09158	0.2
215.71349	0.2
231.10349	1.1
257.08240	0.4
275.09250	3.0
276.09341	0.2
279.11597	0.2
284.03418	0.1
293.10349	11.9
294.10733	0.5
312.06384	0.2
327.08694	0.4
342.11218	0.2
449.14569	11.3
450.14859	0.7
467.10263	7.6
467.15646	100.0
468.10599	0.4
468.15958	5.9
490.47217	0.2
677.49713	0.3
678.49731	0.2
771.29150	0.4
803.31488	0.7
804.31476	0.2
1113.40466	0.3
1145.42810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Maleic acid
Peak:m/z	Relative Intensity
56.81698	2.2
58.30617	3.0
59.94403	2.2
62.13197	2.1
71.01388	100.0
71.22445	2.9
71.22768	3.8
73.25923	2.3
81.61709	2.7
108.40305	2.3
115.00373	7.9
116.07182	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	115.0039
Annotation	Fumarate
Peak:m/z	Relative Intensity
53.43853	2.5
59.01401	2.9
68.16227	2.7
68.27305	3.1
69.57922	19.2
70.56786	2.5
71.01391	100.0
72.01714	3.0
98.19919	6.6
111.93900	2.6
115.00348	11.7
116.07169	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	115.0767
Annotation	Isocaproic acid
Peak:m/z	Relative Intensity
59.01384	2.9
69.58860	7.0
69.59258	4.0
71.01393	6.5
71.05024	3.5
76.66290	1.5
80.08704	2.3
97.93137	9.6
98.20681	3.4
112.14449	2.1
114.93420	14.5
115.07664	100.0
116.07219	4.0
116.08002	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	1157.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01426	0.9
85.02956	2.1
89.02436	1.6
95.01392	1.5
96.96003	5.2
99.00890	1.2
101.02458	3.0
105.66777	0.9
107.15736	0.9
113.02477	1.8
125.02391	1.0
142.26768	1.0
191.05652	4.2
192.05983	1.4
216.22099	1.0
253.09282	3.3
279.23306	100.0
280.23660	6.0
290.73196	1.0
437.12695	2.1
438.13373	7.5
439.13992	1.8
451.14203	1.7
452.14563	4.5
455.10150	2.2
466.11877	1.2
467.13831	2.2
470.12112	1.8
480.14627	2.8
481.15225	65.1
482.15680	10.8
483.16708	2.2
495.16867	21.6
496.17355	2.5
497.18430	2.8
509.14401	1.1
514.15051	5.2
523.16479	1.6
525.14417	2.0
525.99854	1.0
539.15411	4.3
540.16632	17.3
541.17035	4.6
551.19769	1.5
554.18658	4.7
555.18903	78.5
556.19171	10.5
567.19312	1.8
572.15546	42.4
573.15918	5.8
586.17194	9.4
587.17700	1.4
609.20331	3.7
627.21246	1.4
641.22595	90.8
642.22974	15.5
643.23834	9.8
644.24432	1.6
659.24237	2.0
674.22308	3.3
701.25018	1.4
803.27856	9.3
804.29413	1.2
877.31525	47.3
878.32428	9.4
895.33069	4.3
921.46613	84.4
922.47009	14.9
965.52356	2.2
995.49670	1.0
1157.55884	45.2
1158.55969	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	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01878	1.0
57.26538	0.3
69.43946	2.7
71.01399	0.6
73.02953	100.0
74.03283	2.6
93.24765	0.3
99.00890	7.7
100.01211	0.4
110.75862	0.4
116.92875	0.6
117.01955	12.7
138.25008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13708	0.4
55.01873	0.6
70.35707	1.3
70.36064	0.6
73.02953	100.0
74.03300	2.8
82.75002	0.5
99.00880	7.9
99.92570	1.2
108.80666	0.4
116.92889	4.4
117.01954	11.9
117.91238	0.4
117.92891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.24956	1.0
56.59139	0.9
61.98823	1.5
69.39045	6.1
69.88586	1.0
91.05543	1.3
93.03461	6.0
101.92423	1.8
118.92711	2.2
119.05039	100.0
120.05367	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	1194.7297
Annotation	Unknow
Peak:m/z	Relative Intensity
113.04916	0.2
116.00784	0.1
122.00131	0.4
140.01213	4.0
152.99602	1.9
174.71606	0.2
196.03810	7.8
197.04253	0.2
214.04875	1.6
225.81720	0.1
237.22169	0.4
255.23315	100.0
256.23654	6.5
256.26379	0.3
257.23938	0.2
292.80750	0.1
353.79654	0.2
353.95010	0.2
452.27856	80.4
453.28195	6.6
454.28229	0.3
523.84277	0.2
675.90369	0.2
717.66046	0.2
725.26599	0.2
755.22223	0.2
1033.61255	0.2
1046.30420	0.2
1074.88916	0.2
1075.52466	0.2
1159.53809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.53239	0.2
54.90792	0.3
69.50771	2.0
71.67680	0.3
81.06138	0.4
91.01904	0.9
92.02692	0.3
93.03465	3.2
94.03014	0.6
95.01395	1.0
108.02191	3.9
120.02173	0.4
121.02971	100.0
122.02480	0.3
122.03305	5.5
131.87816	0.3
132.34337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.025
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
51.78561	3.8
54.73729	4.3
57.37532	3.4
66.03501	8.4
70.99248	8.2
78.03503	31.5
79.95746	5.0
94.02988	77.6
95.01393	100.0
95.03338	5.3
112.42262	3.7
122.02489	93.8
122.03323	35.5
122.06087	4.7
123.00900	34.8
123.04493	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	126.0927
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.03759	7.2
55.01882	52.5
55.48405	7.6
58.02981	86.3
71.01118	10.3
82.02989	21.1
85.02996	8.8
92.31048	8.4
99.08167	12.9
125.13877	8.1
126.02815	18.4
126.09271	100.0
126.90498	64.6
127.00390	17.7
127.05143	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	127.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.5
60.87695	5.9
70.00616	10.4
70.01004	16.7
71.01374	11.6
83.05031	7.2
85.02951	21.4
98.20015	9.3
99.04538	6.9
110.90839	6.9
126.90450	100.0
127.00363	19.7
127.02226	6.3
127.04016	23.3
128.03554	15.4
128.07150	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.8
64.13467	1.4
67.01899	10.6
69.47540	8.3
82.02998	4.8
85.02959	40.5
97.98397	1.6
98.20645	1.6
101.02446	8.0
128.03554	100.0
129.02011	9.0
129.03931	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	128.0356
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
52.31100	2.2
57.03443	4.9
67.01904	12.8
68.99830	2.3
70.72534	5.4
82.02997	4.6
83.69701	2.1
85.02966	23.9
101.02443	3.0
128.02608	5.2
128.03554	100.0
128.90182	8.1
129.01944	3.7
129.03888	2.5
141.42538	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	129.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.5
57.03455	27.6
67.01894	60.0
68.99798	7.3
70.98342	11.0
71.01379	7.5
72.99307	5.3
73.02948	4.6
83.01384	8.1
85.02957	100.0
86.00590	4.9
88.04036	5.3
95.47588	4.2
101.02431	21.2
129.01945	30.5
129.03972	7.6
130.08760	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	129.0197
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01875	10.5
57.03455	27.6
67.01894	60.0
68.99798	7.3
70.98342	11.0
71.01379	7.5
72.99307	5.3
73.02948	4.6
83.01384	8.1
85.02957	100.0
86.00590	4.9
88.04036	5.3
95.47588	4.2
101.02431	21.2
129.01945	30.5
129.03972	7.6
130.08760	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	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
56.75739	5.5
57.03445	43.7
67.01905	68.7
69.19699	43.5
69.20104	13.5
72.99289	6.1
83.01382	9.0
83.28204	5.7
85.02961	100.0
88.04028	6.2
88.93896	5.3
91.44001	5.4
99.45119	5.4
101.02469	21.8
110.09335	5.4
128.90184	10.1
129.01939	36.8
131.14732	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	129.056
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
52.55574	2.3
55.01892	5.7
57.03449	7.2
59.01389	3.2
62.85373	2.3
67.01913	2.9
67.52896	2.2
68.99828	3.8
71.00493	2.6
71.00820	3.7
76.21332	2.2
83.05037	16.5
85.02956	12.5
85.06597	100.0
86.06905	3.2
101.02422	4.3
107.72324	2.9
110.33080	2.5
111.04548	23.1
128.90187	18.2
129.01955	7.8
129.05600	36.5
130.08757	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	129.0561
Annotation	2-Oxohexanoic acid
Peak:m/z	Relative Intensity
55.01886	8.8
57.03440	18.2
59.01396	5.0
67.01894	11.1
68.99815	9.8
70.70023	4.1
70.70364	7.7
71.01388	5.1
72.99323	5.6
73.02964	6.3
77.42145	2.9
83.01332	3.9
83.05023	25.2
85.02962	24.9
85.06598	100.0
86.06963	4.4
87.00871	4.9
101.02452	14.2
111.04527	34.8
112.90712	5.3
118.45076	4.1
128.90190	28.6
129.01950	15.0
129.05598	40.7
130.08794	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	130.0875
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.04647	1.2
52.36554	1.2
52.84158	1.1
70.65608	3.2
71.83722	1.1
73.02962	2.9
77.25553	1.2
87.04532	1.8
130.08754	100.0
131.09102	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	131.0716
Annotation	Ethyl 4-hydroxybutyrate
Peak:m/z	Relative Intensity
55.01857	1.1
57.03456	8.8
59.01385	100.0
68.99825	3.7
69.03458	2.7
69.47729	4.9
69.48145	3.0
71.01389	16.1
72.99301	1.3
73.02953	23.5
75.00874	1.4
85.02957	26.0
85.06589	3.1
87.04524	12.0
87.51299	1.5
88.04044	3.7
99.42159	1.2
100.15991	1.4
101.02444	1.6
113.02442	2.9
131.03537	7.7
131.07112	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	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
64.16485	1.0
71.01389	85.9
71.18930	2.4
72.01719	2.1
72.99319	22.6
83.88244	1.2
86.47301	1.1
87.00873	2.2
89.02470	8.1
115.00385	100.0
116.00713	2.7
133.01430	21.8
142.20718	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.1
60.80352	0.9
68.00604	0.9
70.72372	2.3
71.01391	83.7
72.01727	1.4
72.99320	16.6
76.72890	1.0
79.76658	0.9
87.00883	1.2
89.02458	7.9
100.62351	0.9
103.35802	0.9
115.00387	100.0
116.00727	4.5
129.66760	0.9
133.01448	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57088	0.9
51.73770	1.0
55.71079	0.9
59.01371	2.2
61.24778	0.9
61.76643	1.0
70.72142	0.9
70.85226	1.2
70.85586	2.4
71.01391	86.2
71.56246	1.0
72.01721	2.4
72.99319	19.8
87.00869	2.5
89.02451	7.8
101.55563	1.5
107.81746	1.0
115.00387	100.0
116.00715	4.0
120.21773	1.0
121.24519	0.9
122.51236	1.0
133.01448	22.4
144.15636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.029
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.81745	11.0
57.57581	11.1
58.16018	10.5
59.47541	10.4
60.84774	13.8
71.01383	100.0
72.99321	27.1
74.83441	11.1
76.79816	11.1
84.24332	11.7
87.00869	38.1
87.04485	14.3
92.02531	15.3
98.19904	44.9
103.18667	11.5
107.03644	20.4
115.00379	88.5
132.86803	35.8
132.90021	20.1
133.01434	22.2
133.02959	18.4
133.05063	32.9
134.04744	46.9
145.03009	11.8
151.21181	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	133.0298
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
55.51887	1.9
59.01377	2.6
65.00335	4.8
69.31997	2.4
69.32304	18.2
71.01392	58.8
72.01740	2.9
72.99314	11.2
77.03985	22.8
87.00892	7.9
89.02452	5.2
89.03982	6.7
93.03484	3.9
95.05041	25.3
98.08244	2.0
98.20602	5.0
105.02814	4.4
105.03473	57.6
106.03743	2.9
107.03648	3.2
115.00385	54.0
121.03004	2.3
123.04531	4.4
132.02179	17.3
132.86824	16.5
133.01428	8.2
133.02972	100.0
133.05083	9.5
133.86734	2.2
134.03731	27.1
134.04764	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	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02413	1.0
52.73135	1.0
59.01372	1.7
65.00340	4.5
65.33424	1.2
69.29733	6.8
69.30154	3.3
71.01390	19.0
72.99318	2.8
77.03977	23.3
81.44028	1.1
87.00885	5.4
87.04540	1.6
89.02428	2.6
89.03976	9.1
93.03443	3.6
95.05039	27.1
98.19859	1.7
99.69933	1.3
104.02705	2.5
105.03472	65.6
106.03792	3.5
107.03692	1.4
108.43452	1.3
109.59892	1.1
115.00380	16.1
115.01904	1.2
121.02964	4.4
123.04543	4.7
132.02184	22.6
132.86813	5.7
133.01373	3.1
133.02972	100.0
133.05110	4.8
134.03508	4.2
134.04599	5.9
152.14018	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	133.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.0
60.24547	1.9
62.67963	1.7
65.00334	2.8
65.87785	1.7
69.80819	10.2
71.01387	100.0
72.99315	20.8
74.06610	1.7
75.00902	1.7
77.03974	25.6
80.04158	1.7
87.00890	14.2
87.04533	5.9
89.02467	7.3
89.03974	8.4
92.02589	1.9
93.03487	4.6
95.05040	32.4
96.05387	2.1
98.19907	3.2
105.03468	69.9
106.03818	4.1
107.03643	9.6
115.00383	82.4
115.52028	1.7
116.00751	2.3
121.02979	2.5
123.04539	6.4
132.02182	19.3
132.86830	21.4
132.90024	6.7
133.01500	13.4
133.02974	96.9
133.05061	14.9
134.03688	11.9
134.04747	22.2
136.67114	1.9
152.65382	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	134.0376
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
69.50867	14.0
76.87068	2.2
93.03465	38.8
94.74072	2.3
95.01417	3.6
106.04283	5.6
107.03619	2.8
107.05042	2.9
108.02183	15.6
134.03821	45.7
134.04755	10.3
134.86519	7.1
134.89485	22.0
135.04544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Adenine
Peak:m/z	Relative Intensity
50.57905	0.6
65.01464	1.3
69.97497	1.1
69.97889	1.7
71.01363	1.0
72.01711	1.8
75.00875	2.2
75.74427	0.6
92.02560	10.4
96.27105	0.6
107.03648	39.0
108.00834	0.6
108.03994	1.1
116.00721	1.7
121.76320	0.7
122.79030	0.6
134.04741	100.0
134.86610	1.1
134.89505	1.9
135.04478	2.9
135.05229	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	135.0303
Annotation	Threonate
Peak:m/z	Relative Intensity
52.41577	0.6
54.32891	0.5
55.01887	0.9
59.01383	10.5
70.14371	2.8
71.01382	4.7
72.98898	1.0
72.99314	19.4
73.45582	0.5
75.00878	100.0
76.01228	2.3
81.02217	0.9
85.68922	0.6
87.00893	1.0
89.02459	9.7
110.25996	0.6
117.01945	2.6
128.77248	0.7
134.88397	2.3
134.89401	0.8
135.03012	21.9
135.04610	1.4
136.93996	0.8
151.46751	0.7
151.85905	0.6
151.92723	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	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
59.32603	1.7
60.61764	1.7
67.01885	2.0
69.03461	2.9
69.77363	5.6
69.77777	4.8
81.02219	10.2
90.43216	1.9
92.05075	3.5
93.03468	32.0
94.03799	5.2
95.01376	16.4
108.02186	100.0
109.02505	5.2
114.25793	1.7
136.00607	4.1
136.01672	82.6
136.03992	3.4
136.04865	15.2
136.86279	2.3
136.89172	5.7
137.02492	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0247
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
65.03957	0.9
70.75127	0.6
74.99106	1.6
75.09832	0.3
76.80498	0.3
81.03464	1.1
93.03469	100.0
94.03806	4.1
97.35846	0.3
97.85905	0.3
108.02178	2.3
109.02977	1.4
123.03304	0.7
136.01700	2.6
136.86270	0.5
136.89220	1.1
137.02460	26.8
138.01955	0.7
138.02824	1.4
138.05652	1.0
152.46872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
61.45702	0.2
63.03735	0.2
65.03973	1.3
67.89917	0.2
69.53262	0.8
69.53687	0.7
75.34576	0.2
78.79793	0.3
82.31843	0.2
86.68922	0.2
93.03469	100.0
94.03802	4.5
108.02221	1.3
109.02964	0.5
123.03264	0.4
135.73438	0.2
136.89195	0.8
137.02461	14.5
138.01985	1.5
138.02870	0.6
138.05640	0.3
148.26009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
69.41673	4.3
69.42004	0.7
94.89645	0.6
98.20638	1.1
108.02184	79.3
109.02502	3.0
111.00941	0.5
138.01984	100.0
139.02332	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	140.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	9.4
56.98026	7.6
59.01382	51.9
64.50851	1.9
67.01892	3.3
68.99824	14.6
69.03451	8.1
70.83503	4.4
70.99621	4.3
71.01390	3.9
72.04556	100.0
73.04909	2.0
81.03465	6.0
83.01423	2.1
84.97543	60.2
85.02964	7.8
95.01402	7.9
95.05044	24.1
96.99323	2.2
97.02954	2.9
99.00880	3.5
111.00895	6.7
113.02425	3.5
113.09693	2.5
122.97594	2.5
123.00907	2.0
124.24342	1.8
124.67488	1.7
139.00410	1.9
140.01022	1.9
140.03535	2.0
140.10823	29.8
141.01987	10.9
141.05513	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	25.5
55.01886	3.7
59.01383	13.5
59.40775	3.3
60.48671	2.9
67.01908	5.7
68.99831	5.9
69.03497	3.2
69.57196	14.5
69.57603	5.7
71.01392	48.6
71.05016	3.9
80.99832	4.8
81.69599	2.7
82.03020	3.9
85.02966	6.8
87.00884	14.1
96.99325	35.3
97.02947	3.6
99.04549	10.7
111.00914	13.4
112.98829	37.7
115.00380	7.6
115.04016	6.6
119.29639	3.3
123.73820	3.2
124.98820	80.9
125.02448	5.3
140.98322	12.7
142.99881	100.0
143.03505	4.2
144.00232	5.6
144.04573	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	142.9988
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00305	18.2
59.01395	7.8
59.69518	3.6
62.44646	3.6
62.44986	3.3
66.55297	3.4
67.65666	3.9
68.99826	5.4
69.45884	4.5
70.25195	14.0
71.01395	42.1
75.11487	3.8
80.99853	7.0
85.29362	3.4
87.00867	11.9
96.99335	27.9
112.98827	34.4
115.00400	7.7
124.98808	50.4
140.98276	9.3
142.99878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61267	0.7
53.16754	0.5
55.57418	0.6
57.03442	1.3
59.01367	1.9
66.66476	0.6
69.03475	2.8
69.03844	0.6
71.01398	7.3
71.05028	2.5
71.52895	0.8
72.99314	0.9
73.02953	2.4
81.03463	2.0
82.18201	0.6
82.20940	0.6
83.01386	0.8
83.05037	0.9
84.02135	0.7
85.02954	5.0
87.00880	1.5
87.04527	2.2
96.99274	0.9
97.02962	2.8
97.06580	1.1
99.02753	100.0
99.04539	2.3
99.08184	0.9
100.03100	3.7
101.02442	0.9
115.04036	1.5
116.05082	1.5
124.98871	1.4
125.02490	4.4
142.05150	1.3
142.99901	1.1
143.01721	6.1
143.03493	4.5
143.07146	1.3
143.10789	3.2
144.04568	47.8
144.06606	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	144.0457
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
60.99277	0.2
70.00842	0.2
84.60608	0.2
102.05581	0.3
116.05079	2.8
117.03465	0.4
126.03484	1.6
142.03035	0.6
144.04564	100.0
145.04921	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	144.0458
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
61.98838	0.4
65.99857	1.2
69.59952	1.9
71.23576	0.3
102.03514	1.5
116.05059	0.8
131.19147	0.3
141.39961	0.3
144.04568	100.0
145.04936	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	145.0144
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
59.01373	27.1
70.72503	35.6
71.01396	100.0
72.99326	24.9
73.02953	25.1
76.24310	14.5
83.01393	28.5
87.00890	88.7
101.02458	62.8
102.05618	59.2
115.00386	78.5
127.00377	58.0
128.03568	24.1
145.01450	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
60.63977	0.8
61.77528	0.8
70.59069	1.5
71.01363	1.6
74.02455	0.8
83.15141	0.8
85.02985	1.9
100.61932	0.9
102.05618	100.0
103.05978	1.4
128.03549	34.5
129.03833	1.0
146.04607	12.1
146.86679	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	147.0301
Annotation	(S)-2-Methylmalate
Peak:m/z	Relative Intensity
52.72728	2.2
57.03454	48.2
59.01383	12.9
68.09765	2.3
71.01378	4.6
71.27956	4.6
73.02963	4.1
85.02959	100.0
86.03305	4.8
87.00883	67.3
101.02448	41.2
103.04019	39.3
129.01953	98.9
130.02284	4.9
147.03003	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	149.0246
Annotation	p-Formylbenzoic acid
Peak:m/z	Relative Intensity
51.91882	1.1
53.87076	1.2
55.74512	1.2
59.01383	2.1
60.42406	1.1
71.01391	3.2
71.53892	1.4
73.02961	1.9
77.03979	9.7
81.02195	1.8
82.02985	3.1
87.00916	1.4
89.02448	10.1
93.03466	7.7
94.99309	2.0
95.05034	62.0
96.05402	2.0
105.03472	72.7
106.03803	3.0
121.02969	29.7
121.06624	1.4
123.04491	1.6
133.16594	1.1
134.03738	5.4
149.02451	100.0
149.04405	2.9
149.06087	2.2
150.00255	1.3
150.02829	4.9
150.05522	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	149.0456
Annotation	L-ribulose
Peak:m/z	Relative Intensity
59.01395	14.1
62.37602	1.7
69.03446	1.9
69.28000	15.7
71.01018	1.5
71.01385	40.1
72.12083	1.7
72.99317	2.3
73.02614	2.4
73.02956	26.8
75.00886	11.6
77.59942	1.8
85.02933	3.5
87.00893	13.4
89.02452	100.0
90.02770	2.8
103.04043	9.3
131.02582	2.0
131.03447	9.0
149.04562	38.0
168.49741	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	149.0457
Annotation	L-ribulose
Peak:m/z	Relative Intensity
52.02107	0.9
59.01386	13.9
69.03461	2.9
69.76405	5.5
71.01392	38.9
72.99332	2.4
73.02956	23.3
75.00884	6.5
85.02979	1.9
87.00897	11.7
88.06071	1.1
89.02453	100.0
90.02763	2.4
93.76868	1.1
101.02448	1.6
103.04025	5.6
120.77369	1.1
131.03546	9.7
133.73169	1.2
137.32057	1.0
137.94562	1.0
143.52831	0.9
149.04572	35.3
150.04948	1.8
160.89700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
59.01387	100.0
60.01719	2.0
71.01400	3.0
71.54515	2.0
73.02980	2.0
79.83028	1.3
81.02209	2.0
82.03013	1.5
82.94739	1.3
89.02454	5.6
105.03428	1.3
108.04591	1.6
121.02976	5.5
134.03722	2.0
149.02444	2.9
149.06113	2.9
149.09717	2.8
150.00217	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	151.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.3
52.00434	1.1
53.00837	1.1
55.01886	2.3
59.01387	5.2
63.02394	2.4
65.00333	5.3
65.99872	1.2
66.03486	3.8
67.01897	16.8
68.99820	4.8
69.03461	12.7
69.31560	2.5
69.31963	8.6
70.47042	1.4
71.01383	11.3
71.71098	1.2
73.02963	3.1
79.01893	8.7
80.02697	7.2
81.03468	20.7
83.01411	2.1
89.02461	5.3
95.01396	64.6
97.02969	5.1
98.20731	2.1
101.02458	5.3
107.01401	64.6
107.05048	5.8
108.02189	67.4
109.02956	3.3
111.00898	2.3
122.03756	2.8
123.00898	100.0
123.04507	6.7
124.01196	2.3
125.01535	2.4
125.02458	46.4
127.79120	1.5
136.01672	70.7
137.02042	1.9
144.32906	1.1
145.20067	1.2
149.02322	1.1
151.00380	20.1
151.02898	2.1
151.04028	24.2
151.06122	2.7
151.07695	1.4
152.01164	40.0
152.03537	3.5
152.07159	1.9
161.62894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0403
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.97064	0.2
53.34353	0.2
59.01386	0.4
65.97543	0.2
67.01906	0.2
69.03452	0.2
70.83556	0.4
71.01395	0.6
79.01904	0.5
89.02485	0.3
92.02702	0.4
95.01414	1.2
101.02432	0.3
107.05088	0.4
108.02191	7.0
123.00909	0.2
128.18706	0.2
136.01677	100.0
136.16083	0.2
137.02017	3.3
145.26053	0.2
151.04024	7.3
152.04399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	4-Hydroxymethylsalicylaldehyde
Peak:m/z	Relative Intensity
55.01836	1.6
58.14202	1.2
59.01389	8.6
63.02404	2.5
65.00321	4.6
65.03959	3.1
66.03487	6.5
67.01899	13.0
68.99851	1.6
69.03459	2.3
71.01387	17.3
71.28268	2.3
73.02952	2.4
77.03963	4.3
79.05560	1.5
80.02676	3.3
81.03465	57.9
82.02982	8.0
83.01374	2.2
85.02972	1.9
87.00870	1.5
89.02455	8.6
89.03976	5.0
91.01896	1.5
93.03465	86.4
94.02956	1.7
94.03786	2.6
95.01401	9.8
95.05038	17.5
101.02438	8.7
103.07351	1.6
104.61238	1.5
105.03468	13.3
107.01397	1.8
107.05044	15.7
108.02177	26.6
108.04577	4.3
109.02970	10.0
121.02963	26.6
122.03808	12.1
123.00900	4.4
123.04533	38.7
124.04873	1.6
133.02974	22.0
135.50768	1.3
136.01677	100.0
137.02049	2.4
137.04857	2.7
149.02486	1.7
151.00479	1.7
151.04018	65.8
151.06079	4.6
152.01128	3.6
152.03484	6.3
152.07187	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	152.0118
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
51.10096	0.4
65.00313	0.5
65.03956	0.6
66.03495	5.8
67.01908	0.7
68.38253	0.4
69.03454	0.9
69.42601	2.4
69.78226	0.4
71.01413	0.6
72.04546	0.6
80.02686	5.1
80.96567	0.6
81.03459	2.4
82.02969	0.9
91.01907	1.8
95.01399	1.1
96.01730	1.0
97.02967	0.8
108.02194	42.7
108.04601	1.0
108.05386	0.5
109.02969	100.0
110.00121	4.3
110.02502	0.6
111.00899	0.7
118.94377	0.4
122.03765	0.8
122.06127	0.5
123.00911	0.9
123.04494	0.7
124.01223	1.3
124.03974	0.4
125.02437	2.2
126.02796	1.1
127.11575	0.3
136.01678	0.4
137.02072	2.1
137.99611	6.0
151.00409	0.7
152.01176	24.7
152.03392	3.6
152.07181	0.7
153.01961	15.4
153.05591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0118
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
52.26810	0.6
60.40256	0.7
62.44003	0.6
66.03500	5.0
68.51901	0.6
68.99796	0.7
69.03451	0.7
69.30721	5.4
69.36150	0.7
80.02688	7.3
81.03485	1.9
82.02994	0.8
83.01407	1.1
91.01888	0.6
95.01364	0.9
96.01743	1.0
107.01407	0.8
108.02191	61.2
109.02971	100.0
110.00111	4.8
115.19705	0.7
120.04654	0.8
123.00925	1.3
123.04551	0.8
124.01218	1.9
125.02470	1.8
126.02805	1.8
136.50481	0.6
137.02019	1.4
137.99597	4.1
152.01178	32.9
152.03563	2.7
152.07254	0.9
153.01953	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	152.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03499	1.2
69.77203	0.7
69.77615	0.9
76.01970	0.4
77.40514	0.3
78.03498	1.3
89.77658	0.2
91.88728	0.2
93.28165	0.3
104.01437	0.6
105.50483	0.3
106.03003	0.4
107.03789	4.9
108.02193	0.4
109.02957	2.7
110.00098	0.8
121.02988	0.5
122.02439	1.0
122.03756	32.5
123.04089	0.7
125.02401	0.4
134.02505	0.5
137.99596	0.4
141.38081	0.3
152.03552	100.0
153.01970	0.7
153.03929	3.2
153.05060	0.4
153.05516	0.2
154.76778	0.3
167.22234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
66.03501	1.1
69.53848	1.3
93.67493	0.2
97.03009	0.2
108.02187	0.6
108.04599	0.2
109.02969	3.3
110.00101	0.6
121.02988	0.8
122.03754	45.1
123.04049	1.5
125.02469	0.4
137.02007	0.5
137.99611	0.7
152.03549	100.0
153.02084	0.9
153.03905	3.9
153.05249	0.3
153.05640	0.2
159.62386	0.2
173.92998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
55.01880	1.3
57.03460	0.3
65.00306	0.3
65.03954	0.5
65.15398	0.2
66.03470	0.2
67.01884	0.4
68.99791	0.2
69.03449	0.7
70.99226	0.2
70.99555	0.4
71.01376	0.2
72.05239	0.2
80.02650	0.2
81.03473	2.3
82.02991	0.6
83.01392	1.3
91.01904	1.1
95.01418	0.2
95.05106	0.2
97.02953	0.4
101.31109	0.2
108.02189	7.0
109.02966	100.0
109.41752	0.2
110.00113	4.6
110.03297	3.4
116.54923	0.2
123.00889	0.5
123.04540	0.6
124.01706	0.3
124.04057	0.8
124.07681	0.3
125.02436	2.0
125.06126	0.2
126.09264	3.3
135.04491	0.3
136.04066	0.2
137.99600	4.4
138.03235	0.4
151.00340	0.4
153.01961	17.4
153.05490	1.0
153.09227	0.4
153.86887	0.9
154.02304	0.5
154.05121	0.6
154.08788	1.1
157.19566	0.2
160.46611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
58.59372	0.8
58.71259	0.8
59.01394	1.0
59.98518	2.7
61.98828	2.7
65.00332	2.5
65.03960	1.9
66.03494	4.0
67.01868	1.1
68.88982	1.0
68.99826	1.9
69.03471	1.9
71.01389	2.8
71.53555	0.7
74.88418	0.9
77.04730	0.9
78.17548	0.8
80.96524	1.8
81.03465	5.1
82.02988	2.5
83.01402	4.0
84.02172	1.3
85.02960	6.8
95.01402	2.1
96.96027	0.9
97.02948	1.8
98.02512	1.3
108.02190	13.8
109.02969	100.0
109.06616	3.2
110.00114	18.5
110.02565	1.4
110.03307	4.1
110.92605	1.6
111.00950	1.0
111.04558	1.6
112.04065	1.2
123.00909	3.5
123.04527	6.7
124.01688	1.4
124.04046	4.3
124.98848	1.7
125.02453	8.2
126.09276	3.5
135.04536	3.9
135.05457	0.8
135.74579	0.8
136.04060	3.3
137.99611	26.5
138.03262	1.7
138.99982	1.6
142.93178	0.8
151.00388	2.5
152.91785	2.9
153.01959	38.2
153.03165	1.9
153.03889	1.7
153.05577	4.8
153.06673	1.2
153.08269	0.5
153.09222	28.1
153.86880	47.1
154.01404	1.7
154.05092	2.8
160.67967	0.8
169.74454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1287
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
55.01881	3.0
57.03440	1.9
61.98832	1.4
62.43302	1.0
65.00328	3.0
66.03487	3.8
68.99845	2.1
69.03448	4.8
70.85115	3.0
71.01407	1.5
71.05046	1.8
72.99304	1.2
80.96532	1.8
81.03461	7.0
82.02980	3.3
83.01401	4.1
83.04996	1.9
85.02933	1.2
95.01392	2.5
95.05049	1.5
97.02942	1.3
97.06601	26.5
98.02482	2.1
98.06886	1.1
99.08185	8.2
107.05019	1.1
108.01564	1.6
108.02199	14.7
109.02966	100.0
109.06596	2.9
110.00106	19.5
110.02567	2.3
110.03307	5.3
110.92607	2.1
111.04505	1.4
111.08158	1.8
112.04095	1.4
116.96724	1.0
118.89866	1.2
123.00889	3.2
123.04594	4.9
124.04068	6.3
124.67250	1.2
125.02473	10.7
125.06075	1.3
125.09692	2.1
126.09254	4.6
135.04539	2.4
136.04076	2.9
137.09727	2.2
137.99622	23.9
138.03241	2.7
151.00352	2.4
151.11317	2.1
152.91774	2.1
153.01961	36.1
153.03870	2.2
153.05611	5.5
153.09348	2.8
153.12863	77.6
153.85611	2.3
153.86873	44.7
154.01340	1.3
154.02429	1.6
154.05113	5.6
154.08742	1.3
154.13177	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	154.0875
Annotation	Scopoline
Peak:m/z	Relative Intensity
55.01884	41.8
57.03450	9.8
58.02985	1.0
66.03492	1.4
67.01896	2.4
71.01395	1.5
71.52890	0.9
80.05071	0.9
81.02225	2.2
82.02991	6.8
83.01394	31.7
83.05046	1.5
84.01743	0.8
84.02196	2.8
84.04564	3.2
93.03480	3.3
96.04581	0.8
97.06600	0.7
99.08174	6.6
110.02480	3.2
110.03221	0.7
110.06129	1.9
111.00889	5.8
111.02047	1.5
111.03292	4.4
111.04549	2.8
124.07695	18.0
126.09258	100.0
127.09605	2.6
135.27536	0.7
136.07700	1.3
137.02493	0.7
152.06023	0.7
152.07185	2.9
154.01428	1.1
154.05128	0.9
154.08746	30.3
154.99883	2.5
155.03520	0.6
155.09097	1.0
155.11945	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	154.0876
Annotation	Scopoline
Peak:m/z	Relative Intensity
55.01884	38.2
57.03452	12.4
61.51548	0.9
70.98660	2.0
70.99003	1.6
71.01394	1.3
71.55270	1.0
81.02205	2.0
82.02982	4.3
83.00922	1.9
83.01398	25.5
84.02211	2.0
99.08178	8.0
111.03284	2.7
111.04497	1.0
124.07703	15.9
125.12373	1.1
126.09263	100.0
127.09574	2.9
140.18948	0.9
149.96574	0.9
152.07201	1.9
154.07536	1.8
154.08757	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	15.0
58.02758	1.5
58.02985	17.2
58.99812	1.5
67.01897	8.5
68.02547	15.0
68.99804	2.0
69.73238	5.1
69.73644	3.9
70.38999	1.6
71.01384	2.4
77.30648	1.5
81.03481	1.6
82.02540	3.3
82.02993	35.3
83.01398	10.5
83.05032	2.8
84.01738	2.0
84.04557	100.0
93.03465	3.3
98.02477	2.3
101.93884	1.6
111.00890	17.2
111.02019	24.5
111.02758	8.1
111.04519	7.4
114.05636	4.9
126.09325	1.8
127.00378	4.6
127.09618	5.3
128.10806	4.1
137.02405	2.4
138.09279	5.4
140.01201	2.7
151.20110	1.8
153.10374	2.1
154.99940	8.2
155.03546	2.8
155.11917	99.6
156.12288	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	157.033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97991	0.5
57.03443	0.4
59.01376	1.5
61.28572	0.4
69.03463	0.7
69.53397	2.6
71.01375	0.4
77.00323	0.3
84.99328	2.2
98.01981	3.0
111.08192	0.6
113.04323	100.0
113.09721	0.5
114.04685	2.2
127.00379	1.6
141.01804	0.4
157.03288	6.2
157.05197	0.5
157.06569	0.6
157.08713	2.2
157.12360	1.5
158.03668	0.6
158.08200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
55.01879	0.4
57.03446	0.9
59.01387	4.0
60.80524	0.3
68.45497	0.3
68.99806	1.7
69.03471	1.0
71.01392	1.5
71.05026	1.6
71.23957	0.7
72.99332	0.4
73.02932	0.6
75.00881	1.1
81.03500	0.4
83.01430	0.4
83.05046	0.7
84.99313	4.0
85.02957	1.4
85.06596	0.7
87.00890	0.7
95.05022	0.6
96.25592	0.3
96.96038	1.7
96.99326	0.4
97.06578	0.4
99.00888	2.1
101.08328	0.4
102.18257	0.3
111.00907	1.0
111.08141	1.2
112.92262	0.4
113.06101	100.0
113.09686	0.8
114.06424	3.3
114.13143	0.3
115.00397	1.1
127.00399	7.1
128.98346	0.8
130.06619	0.4
139.00415	0.4
139.07657	0.7
156.89450	2.7
156.96948	0.4
157.01430	1.3
157.03767	0.5
157.05083	9.3
157.08702	7.2
157.12369	5.3
157.86292	0.5
158.03580	0.6
158.06172	0.6
158.08246	1.4
158.12665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0246
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
55.01880	1.2
57.03457	2.5
58.00582	1.0
59.01385	12.5
62.68763	0.2
65.00318	0.8
69.03461	1.2
69.40321	0.9
69.40735	0.7
71.01387	11.9
71.19683	0.2
72.01730	0.2
72.99319	1.6
73.02953	8.6
75.00903	1.1
75.96117	0.2
77.03987	0.5
81.03473	1.8
83.01398	3.7
83.55898	0.2
84.02177	0.4
85.02959	15.7
87.00878	3.6
87.04522	0.3
87.64190	0.3
89.02454	2.9
89.03970	1.5
95.01398	0.7
95.05022	1.4
97.02966	1.3
98.20740	0.3
99.00890	1.1
99.04530	0.9
101.02454	2.5
104.92677	0.2
105.03470	0.5
113.02465	1.9
115.04025	0.4
117.03479	3.6
118.03000	0.4
118.03816	0.3
121.65527	0.2
123.04543	4.5
124.04839	0.3
125.02456	0.8
129.02016	0.2
131.03517	5.6
133.02974	20.2
133.06584	0.4
134.03337	0.9
138.84251	0.2
143.03548	0.5
159.03003	0.3
160.84241	1.4
160.89297	0.7
161.02467	100.0
161.04434	10.1
162.02911	3.4
162.04924	0.4
174.31140	0.2
181.50667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01867	5.5
57.03456	41.6
58.00605	3.7
59.01385	72.8
62.19113	1.7
67.78321	1.4
69.03459	6.6
70.51601	3.1
70.51970	3.3
71.01391	58.7
71.05027	49.3
72.99305	10.5
73.02953	35.1
75.00882	4.0
81.03461	6.8
83.01389	14.7
84.02206	1.5
85.02962	56.8
86.03284	2.2
87.00887	64.6
87.04521	3.9
88.04057	1.8
89.02464	10.0
89.04385	1.9
95.01393	3.0
97.02963	9.6
99.00879	4.8
99.04528	79.6
101.02456	28.9
105.05849	1.7
113.02449	7.5
115.04017	33.5
117.04818	2.9
117.05589	35.1
125.02483	2.3
126.35247	1.4
131.03516	19.4
134.06133	12.7
140.59479	1.4
143.03517	74.0
144.03883	3.1
147.03220	3.0
161.02461	3.7
161.04570	100.0
162.01909	1.6
162.05592	5.0
175.25642	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	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01384	0.4
71.01379	0.3
71.18554	0.2
71.18880	0.4
85.02943	0.3
91.05537	1.3
93.03482	1.2
113.40869	0.2
117.03551	0.2
119.05038	100.0
120.05368	3.2
162.83896	0.6
163.00386	0.4
163.04019	5.1
163.06174	0.6
170.66563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1124
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
50.46159	1.3
59.01377	4.4
60.80470	1.2
69.51855	5.3
69.52267	4.7
71.01373	3.9
82.90245	1.3
85.02947	2.5
87.75386	1.3
98.07613	1.7
101.02441	5.8
119.05037	17.1
163.06154	6.5
163.11299	100.0
164.11604	5.5
166.45805	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	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.02382	0.6
51.61605	0.5
60.12122	0.6
70.27645	1.5
71.78271	0.6
72.00916	41.7
75.99432	0.6
91.05561	2.8
93.03461	1.1
99.70669	0.6
103.05535	6.0
113.19367	0.6
119.05042	2.0
120.04604	0.9
120.05363	0.8
121.02953	3.8
147.04536	100.0
148.04900	3.9
150.03275	0.9
164.07184	45.4
165.04158	0.7
165.07481	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	165.0196
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
59.01378	0.8
60.76522	0.4
70.36282	0.6
70.36646	0.8
71.01385	0.9
75.00826	0.4
77.03975	2.4
80.14978	0.3
82.02975	0.6
87.00892	0.6
89.02460	0.4
93.03456	3.5
98.20020	0.3
108.02171	0.6
109.02966	0.6
119.05043	0.4
121.02972	100.0
122.03226	2.7
123.04541	0.6
127.81062	0.4
137.02472	1.6
150.03181	2.1
151.00339	0.4
164.83617	4.1
164.89621	0.6
165.01945	9.9
165.04147	0.6
165.05591	1.5
165.07762	0.5
165.09196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
59.01386	2.4
65.03982	0.4
67.01888	0.7
67.91196	0.3
69.98036	1.5
71.01397	2.4
71.01731	0.4
72.52862	0.3
72.99310	1.7
73.02956	0.7
73.93352	0.4
75.00880	10.2
77.03983	1.2
80.44701	0.4
81.03432	0.5
82.03001	1.1
85.02959	0.8
87.00887	18.2
89.02451	1.1
91.01872	0.4
93.03467	10.4
95.01390	0.5
98.20622	0.6
99.00861	2.1
101.02441	0.6
105.01944	13.7
106.02227	0.4
108.02168	0.7
108.04549	1.5
109.02964	1.4
111.03229	0.5
117.01952	0.6
119.05023	0.5
121.02967	33.5
121.06612	0.6
122.03769	25.5
123.00919	0.4
123.04085	0.6
123.08238	0.7
124.01657	1.0
129.01971	1.0
133.02945	3.1
134.03720	0.8
135.02986	0.5
136.01695	2.1
136.04030	0.4
137.02441	3.0
137.04765	0.5
138.05611	1.6
138.09279	0.6
147.03012	1.7
147.04604	0.5
149.01244	0.8
149.02437	5.4
150.03236	100.0
151.00432	1.0
151.03572	3.8
165.01978	4.0
165.04065	10.6
165.05583	7.8
165.09142	0.8
166.05168	0.8
166.08725	1.3
173.93874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
59.01385	0.4
64.58802	0.2
66.03482	0.6
67.01897	0.3
68.27657	0.2
69.03511	0.2
69.87690	0.9
70.80676	0.2
71.02084	0.2
73.65675	0.2
75.00879	0.2
78.34493	0.2
80.05069	0.2
82.09355	0.2
84.34759	0.2
91.01884	0.3
92.05078	0.9
93.03471	0.8
93.99344	0.2
95.01376	0.5
97.26407	0.2
98.20626	0.3
101.41302	0.2
104.69005	0.2
105.02222	0.4
107.03815	0.4
108.02187	2.9
108.04595	0.4
115.39749	0.2
118.02996	0.4
120.04512	0.4
121.02988	1.8
121.05352	2.2
122.02473	0.7
122.03300	1.2
122.06166	0.4
123.00928	1.1
123.04523	1.6
123.53480	0.2
124.04049	0.3
133.01724	0.3
135.04562	1.4
136.05312	22.2
137.05670	0.7
138.05629	0.4
148.04065	0.5
149.94478	0.2
151.00436	1.1
152.01161	4.0
166.05109	100.0
166.83357	0.6
167.03596	1.4
167.05453	3.7
167.07127	0.4
178.58693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Orthoform
Peak:m/z	Relative Intensity
62.60587	0.2
66.01040	0.2
66.03487	0.5
67.01881	0.2
69.41151	0.2
69.87981	0.2
71.01403	0.2
73.32635	0.2
73.56804	0.2
78.97023	0.2
80.05064	0.5
82.02988	0.2
82.76584	0.2
88.54869	0.2
91.01900	0.4
93.03476	1.1
94.02996	0.4
94.03803	0.3
95.01395	0.5
95.05035	0.2
97.02943	0.2
98.20683	0.5
108.02190	3.9
108.04560	0.6
109.02996	0.3
111.00937	0.3
121.02967	12.8
122.02510	0.3
122.03293	2.3
122.06093	0.3
123.00903	1.0
123.04543	2.0
124.01648	0.3
124.04023	0.3
125.02466	0.4
136.05315	10.8
137.05673	0.3
138.05595	0.7
151.00447	1.2
151.02763	23.2
152.01167	5.7
152.02979	0.9
165.01971	0.2
165.83707	0.4
166.05109	100.0
166.83316	0.9
166.89668	0.2
167.03499	2.2
167.05444	3.3
183.01741	11.1
184.02100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
56.08291	0.3
58.34651	0.4
62.43298	0.3
65.00333	1.5
69.48736	1.3
69.49142	0.9
70.59608	0.4
72.04564	1.7
80.02670	2.0
81.03437	0.5
83.01389	0.4
91.01906	8.9
95.01399	1.3
98.19881	0.4
100.86481	0.4
108.02185	57.6
109.02525	1.2
110.95836	0.3
111.00916	0.7
123.00875	1.2
123.04539	28.6
124.01677	1.2
124.04917	0.7
127.64273	0.4
132.86740	0.4
143.30493	0.3
152.01164	100.0
153.01498	3.0
164.16449	0.3
167.03505	20.8
168.03883	0.7
168.10226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.9
57.03454	5.6
61.60583	0.7
62.84085	0.7
69.86492	1.7
69.86894	2.2
71.01382	1.4
72.04556	100.0
73.04877	1.3
81.02215	2.4
82.02995	18.6
82.06640	1.9
83.01398	23.8
84.02190	0.9
98.02505	1.3
98.19959	1.1
100.04042	5.0
109.02459	0.7
111.03263	3.7
113.09747	3.3
115.77460	0.7
125.02445	0.7
138.09261	11.0
140.07190	1.1
140.10828	46.7
141.11205	1.1
151.16481	0.8
151.36319	0.8
166.08737	1.5
168.10313	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	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	100.0
58.23264	0.3
59.03320	0.6
61.98840	0.9
63.16590	0.3
70.02987	0.8
70.09078	1.1
72.04562	0.4
82.03020	0.4
82.95419	1.6
93.54836	0.3
97.02976	0.5
98.19968	0.3
108.04630	0.3
108.54189	0.3
114.49014	0.4
122.06124	0.5
125.02464	5.4
126.90369	0.8
132.86818	0.9
150.05685	0.4
151.11317	0.7
153.01642	0.7
168.13950	7.6
168.15225	0.5
169.01434	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	169.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
57.03444	3.3
58.02979	13.3
59.01371	1.5
65.00327	3.0
66.03475	1.0
68.99827	1.3
69.03461	3.2
69.57491	4.9
70.02980	1.3
71.01395	3.6
72.04554	6.8
73.04881	2.6
80.96575	1.4
81.03467	3.3
82.02993	23.9
82.06640	2.5
83.01408	7.0
83.05043	1.6
84.04556	88.3
85.02951	2.9
85.04866	1.2
88.13219	0.8
93.03474	1.4
95.01389	1.3
95.05053	1.2
97.01191	4.4
97.02960	16.4
97.06609	2.3
98.00126	1.2
98.02492	1.3
99.00890	3.6
101.07217	66.5
107.01402	3.5
107.05025	2.1
109.02960	1.2
110.02511	1.5
111.00914	1.2
111.04534	1.4
113.02457	1.9
121.02968	3.8
125.00682	3.3
125.02457	32.7
125.06104	9.9
125.09749	2.3
125.99568	2.5
126.02772	1.7
126.05563	0.9
126.09266	11.7
128.03522	1.0
130.87451	0.8
139.00371	5.3
140.03528	1.2
140.10852	1.4
141.01990	1.2
141.11182	3.7
142.12398	2.1
147.00893	1.0
150.97087	2.0
151.00385	13.4
151.04018	1.1
152.07222	4.3
152.10817	2.3
153.99112	4.2
154.02783	1.2
165.01952	1.4
167.11923	1.1
168.98151	1.6
169.01448	18.3
169.05103	2.4
169.10655	2.4
169.13481	100.0
170.04622	2.5
170.08257	2.6
170.13792	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	170.0824
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
55.01886	23.6
57.03462	3.6
59.01355	0.7
69.03482	0.5
70.02985	0.7
71.01400	1.5
71.05038	0.7
71.52781	0.9
73.01186	0.9
78.95897	2.6
81.02932	0.4
81.03470	1.4
82.02995	39.3
83.03357	0.7
83.05013	0.6
84.02225	0.4
84.04559	1.6
85.02960	0.5
87.05177	0.5
96.04547	0.8
96.96043	1.3
97.06605	1.1
98.02502	1.9
99.00890	14.9
99.04594	0.6
99.08165	4.7
100.01247	0.5
101.07234	0.8
109.02960	4.2
124.07711	3.3
126.09262	100.0
127.04018	3.8
127.09603	2.3
140.03563	0.5
145.24432	0.5
152.07187	44.8
153.07507	1.1
170.08241	25.5
170.13823	1.7
170.99629	0.6
171.08699	0.5
171.10355	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	170.0825
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
50.73508	0.6
51.74208	0.7
55.01885	25.6
57.03456	3.6
58.02987	1.2
59.01389	0.8
71.01387	0.8
71.05045	0.6
71.19571	1.1
73.02947	0.8
73.38825	0.6
78.95897	1.1
81.03469	0.7
82.02991	42.9
83.05033	1.0
84.04549	0.9
96.04581	1.5
97.06630	1.8
98.02517	1.0
99.00902	15.5
99.08165	3.5
101.09573	0.6
104.86987	0.7
108.04554	0.8
108.08224	0.8
109.02977	0.8
110.21062	0.6
111.00897	0.8
112.07755	0.6
121.47516	0.6
124.07668	3.7
126.02792	1.4
126.05599	1.4
126.09261	100.0
127.03992	1.1
127.09596	2.8
127.11337	1.2
128.03566	0.7
128.07196	1.3
128.90068	1.1
132.86789	3.5
134.86555	11.0
140.03543	1.8
140.07207	1.8
140.26540	0.6
152.07187	41.0
153.07495	1.4
157.56424	0.5
169.83408	1.9
170.04582	2.3
170.08237	25.2
170.83377	6.2
170.88399	3.3
171.01976	2.7
171.08768	1.1
171.10255	8.6
171.13986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1029
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.29945	0.4
71.30563	0.6
71.30901	0.5
125.09762	2.6
127.11324	6.1
153.09222	0.8
171.10286	100.0
172.10611	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	171.1029
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01855	0.5
69.96143	1.3
69.96545	1.0
70.87627	0.4
83.05066	0.5
98.19965	0.5
99.08175	0.9
109.06625	0.6
123.08115	0.5
125.09736	2.5
127.07658	7.5
127.11304	6.8
144.04550	1.7
153.09200	1.4
171.02061	1.0
171.10289	100.0
172.04054	0.6
172.10678	2.5
173.88275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0981
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03490	0.6
58.03037	1.2
59.01438	0.5
67.01899	3.5
69.03504	0.6
71.01387	1.6
71.08537	0.5
72.79293	0.2
72.99343	0.6
73.02990	0.6
81.03519	0.8
82.06707	0.4
83.01419	0.3
83.05075	0.8
85.03004	0.6
93.03468	12.8
93.64664	0.2
99.00932	0.7
100.07784	0.3
109.02951	0.3
111.00894	2.4
111.04562	2.1
111.08212	0.6
112.04072	0.4
116.05082	1.8
128.07988	0.5
128.10841	2.1
130.08749	100.0
131.09064	2.1
140.07185	0.3
144.04568	7.7
154.99886	0.4
155.03433	0.4
159.16753	0.3
162.05571	0.4
172.02484	0.4
172.03992	1.6
172.09738	13.1
172.83075	0.4
173.00815	0.3
173.02342	0.4
173.04570	2.4
173.05881	0.6
173.08121	0.6
173.09935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0982
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
54.94616	0.3
57.03479	0.5
58.02975	1.8
59.01418	0.5
67.01904	2.6
69.03484	0.7
69.57957	2.0
71.01411	1.2
83.05054	0.6
85.02969	0.5
93.03465	9.5
93.04012	0.5
93.45987	0.3
99.00946	0.4
104.32040	0.3
111.00903	0.6
111.04546	1.7
111.08190	0.8
112.98762	0.3
116.05057	1.8
128.10832	3.8
130.08751	100.0
131.09116	2.0
144.04562	6.2
145.04872	0.4
162.05583	0.4
172.02597	0.3
172.04019	1.5
172.09761	13.9
172.83037	0.6
173.04568	2.5
173.10095	0.4
173.11804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00303	3.9
55.01890	5.0
57.03453	4.1
58.02982	9.4
59.01381	7.3
59.38364	1.0
62.71310	0.9
62.79099	0.8
64.12740	0.9
67.01884	4.4
68.99813	2.8
69.03499	1.5
70.89105	2.3
71.01388	75.1
72.99326	5.2
73.02958	5.4
80.99834	3.0
83.01397	6.8
83.05015	1.4
85.02966	14.0
85.06616	1.1
86.06123	2.8
87.00883	7.4
93.03461	11.4
96.99319	5.6
99.00894	23.2
99.01543	1.5
99.04497	1.2
100.07697	8.6
111.00898	19.4
111.04523	6.9
112.98819	43.3
115.00396	5.3
124.98815	29.8
124.99734	1.1
128.07196	16.3
129.01945	2.1
131.08237	1.3
132.06673	3.4
137.02492	1.2
140.98323	4.0
142.99875	100.0
144.00198	1.4
154.99936	1.2
155.03522	3.1
168.24681	1.1
173.00902	6.9
173.04529	3.7
173.08136	1.7
174.07741	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	173.0092
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00313	1.5
55.01878	6.7
57.03452	6.6
58.02980	6.3
59.01384	6.9
65.03974	1.3
67.01897	14.2
68.99819	3.5
69.03455	1.7
70.02731	3.4
71.01388	73.8
72.01718	1.1
72.99319	6.4
73.02562	1.1
73.02956	16.0
80.99821	1.3
81.03457	2.9
83.01384	8.2
83.05029	5.3
83.42061	0.9
85.02960	20.9
85.06586	5.1
86.06110	2.7
87.00883	5.1
92.61415	0.8
93.03467	38.8
94.62995	0.8
96.99306	4.0
98.20607	0.8
99.00891	27.5
99.04518	6.8
100.01232	1.0
100.07690	7.0
101.02485	1.3
108.77988	0.7
109.02956	1.7
111.00893	100.0
111.04527	51.6
112.01215	2.0
112.04901	1.3
112.98820	36.6
113.02460	1.6
115.00375	3.5
115.03970	1.2
124.98818	20.1
125.02460	2.5
127.04007	0.9
128.07195	16.3
128.08148	0.9
129.01976	4.5
129.05598	4.4
132.06654	3.1
137.02454	5.4
140.98276	1.7
142.99876	50.9
144.00185	1.5
145.01453	1.0
154.94809	2.0
154.99838	1.7
155.03526	22.3
173.00955	8.6
173.04555	16.6
173.08147	1.2
174.07733	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	173.1185
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
54.91373	0.4
60.50335	0.3
67.01895	1.2
69.93692	1.1
70.02400	0.3
71.01382	0.5
75.03523	0.3
78.03598	0.3
93.03468	4.2
111.00902	0.5
111.04515	0.6
120.73049	0.3
125.09726	0.7
127.11306	13.4
155.10780	2.6
171.10298	1.5
173.04556	1.3
173.11842	100.0
174.12198	3.4
179.23199	0.3
181.32626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
59.01382	0.7
63.02401	6.7
65.00332	4.6
65.03985	0.3
70.83298	0.4
70.83634	0.8
71.01414	0.3
77.03963	1.3
79.01894	0.4
81.03461	1.8
83.01389	1.3
89.03973	14.6
90.04304	0.4
91.01900	3.7
93.03477	1.7
95.05036	2.3
105.03469	11.4
107.01397	5.6
109.02969	2.7
111.36297	0.3
121.02969	1.7
123.04557	2.0
131.01385	0.5
132.02191	1.0
133.02969	37.7
134.03374	0.7
135.00900	23.0
136.01236	0.7
139.04015	0.5
149.02460	3.5
150.02718	0.3
151.00392	5.3
153.01965	0.4
159.00911	0.7
162.03236	3.9
172.91010	0.3
176.01155	0.4
177.01939	100.0
178.02293	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	177.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
71.00386	0.4
71.01379	1.0
75.00880	0.3
77.03974	1.0
81.03461	2.4
83.89325	0.2
85.02966	0.2
87.00902	0.3
89.03974	9.8
93.03464	2.2
95.05042	1.4
99.00915	0.5
105.03469	16.6
106.03782	0.3
106.29920	0.3
107.01406	0.6
109.02972	0.4
115.04140	0.2
117.02030	0.3
121.02937	1.7
123.04545	0.6
126.23531	0.2
127.52905	0.3
129.01930	0.4
131.01402	0.3
133.02969	28.9
134.03619	0.8
135.04549	0.7
136.04883	0.8
139.04018	0.7
149.02455	5.0
161.02466	0.5
162.03242	10.5
163.03606	0.6
177.01941	100.0
177.09259	0.8
178.02324	3.3
178.05092	0.9
179.03400	0.2
180.03813	0.5
199.74974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55383	0.1
59.01360	0.2
63.02406	2.3
63.17962	0.1
65.00329	1.8
65.03968	0.4
67.01900	1.1
67.09747	0.1
68.99815	0.5
69.86140	0.6
71.01377	0.2
73.44338	0.1
77.03973	0.6
82.51926	0.1
89.00349	0.9
89.03978	4.3
90.04298	0.2
91.01904	4.6
93.03457	0.5
95.05046	1.0
105.03474	1.9
107.01402	2.1
109.02962	2.5
115.96232	0.1
117.84089	0.1
121.02953	1.1
123.04541	1.1
129.01927	0.1
132.02194	0.3
133.02975	6.7
134.03398	0.3
135.00900	3.0
135.04515	0.8
136.04863	0.5
147.00842	0.2
149.02469	1.4
151.00336	0.3
162.03249	3.3
163.03555	0.2
176.54105	0.2
177.01944	100.0
178.02301	3.4
178.04980	0.2
179.03625	0.3
180.03830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02356	0.6
58.91579	0.4
59.01392	1.1
63.02401	0.7
65.00338	1.1
65.03976	0.7
67.01912	0.8
68.99832	0.4
71.01403	0.8
75.12177	0.3
77.03978	9.4
83.01384	0.6
89.02467	0.5
89.03976	4.8
91.01911	1.4
93.03482	2.5
95.05038	15.0
96.58089	0.4
98.19949	0.9
99.00936	0.6
105.03474	43.1
106.03775	0.9
107.01391	0.7
109.02960	1.3
121.02989	2.4
123.04544	4.2
129.01941	0.5
132.02211	1.7
133.02972	100.0
134.03856	3.5
135.00906	1.2
135.04514	1.2
136.04889	0.6
137.02452	0.6
149.02477	3.0
149.06071	0.5
161.02464	0.8
162.03239	14.4
163.03596	0.4
177.01952	40.5
177.05362	3.0
177.09196	0.7
178.02379	1.4
187.50366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0558
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
57.74397	0.5
58.23172	0.5
58.90582	0.4
59.01374	0.7
59.48285	0.4
63.99398	0.4
69.48818	2.1
69.49242	1.0
71.01404	0.7
81.98868	0.4
82.49713	0.4
93.03477	1.3
95.05019	0.4
98.20638	0.9
105.03475	1.8
108.02186	0.6
108.32780	0.5
117.03478	43.7
118.04337	3.7
121.02969	26.4
121.03868	0.7
122.03320	0.8
123.04536	8.8
123.21325	0.5
133.02963	6.3
133.06612	0.7
134.03754	3.3
145.02971	57.8
146.03302	2.0
147.04506	0.4
149.02431	1.2
149.06120	0.6
159.55513	0.6
162.03239	14.5
177.02010	3.5
177.05582	100.0
178.05981	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	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10650	0.2
51.65052	0.2
59.01379	0.3
61.98839	0.3
65.76961	0.2
69.46491	1.3
76.72849	0.2
95.95224	0.3
119.93632	1.0
134.96101	48.9
135.96173	2.2
136.94020	100.0
137.94096	4.8
146.09973	0.2
151.92732	16.3
152.92786	1.0
177.64319	0.2
178.95079	63.8
179.95184	3.2
186.25345	0.2
196.96172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Aspirin
Peak:m/z	Relative Intensity
50.08770	0.4
51.36836	0.5
55.01888	0.5
58.00552	0.5
59.01386	4.5
63.02394	1.6
65.00333	0.6
69.03450	0.9
69.72941	1.8
71.01391	4.6
72.05074	0.4
72.99316	0.9
73.02956	1.1
75.00868	1.2
80.02688	0.7
81.02198	1.2
81.03457	0.5
83.01398	1.6
83.85041	0.5
85.02966	2.6
87.00884	11.1
89.02449	0.9
90.98598	0.6
91.05543	14.7
92.05863	0.5
93.03494	1.2
95.01400	1.0
95.05045	0.5
96.96038	2.8
97.02934	0.8
99.00909	2.9
101.02450	1.6
107.01393	2.7
107.05044	2.2
108.02193	2.1
109.02950	1.5
113.02438	0.8
117.01965	1.9
121.02989	1.9
122.03762	0.5
123.00944	0.7
123.04525	1.0
125.02458	2.0
129.01863	0.5
134.03729	1.4
135.04541	100.0
136.01646	0.7
136.04848	2.6
136.07693	0.9
136.94025	1.1
137.02440	1.3
137.06108	0.7
139.42386	0.5
141.01961	0.8
146.03784	0.5
149.02481	1.5
150.05602	1.1
151.00369	3.3
151.03984	1.5
151.07602	0.8
159.03052	0.9
161.04579	5.1
161.05931	0.7
164.01178	2.9
164.04852	1.9
169.01424	0.5
177.03978	0.8
178.99847	3.1
179.03526	11.2
179.05630	7.5
179.07130	1.4
179.10808	1.2
182.65034	0.4
187.21620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
59.01385	15.9
67.28220	0.5
69.42181	3.4
71.01387	9.7
71.05021	1.7
72.99313	11.9
73.02956	7.1
75.00879	100.0
76.01215	0.9
81.03458	4.5
83.01395	0.6
85.02952	2.4
87.00889	7.8
89.02460	3.5
90.98613	4.1
91.02225	1.7
97.02972	1.2
99.00899	3.2
99.04539	1.6
101.02435	1.0
125.02444	3.0
135.04536	0.7
136.07715	0.8
143.03516	7.5
151.03946	0.6
161.04581	11.7
162.05602	1.1
164.01146	0.8
179.05621	55.1
180.06038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
50.05057	0.5
59.01388	16.0
71.01393	8.7
71.05031	1.8
71.52719	0.5
72.99316	9.8
73.02957	8.5
75.00881	100.0
76.01225	0.8
81.03474	4.3
82.37929	0.5
85.02954	2.3
87.00883	6.4
87.04514	0.6
89.02466	3.2
97.02969	0.9
99.00906	2.3
99.04536	1.2
125.02454	2.3
143.03522	6.9
161.04572	8.8
162.23479	0.5
168.34122	0.5
179.05627	55.0
180.05911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0144
Annotation	4-Hydroxyphthalate
Peak:m/z	Relative Intensity
55.01890	7.1
55.35173	0.9
56.16940	0.9
57.03460	4.7
58.00598	2.9
59.01387	67.2
62.77822	0.9
63.02416	1.2
65.00332	20.4
67.01909	5.1
69.03467	3.3
69.34513	4.6
69.34926	3.2
71.01390	100.0
72.99318	3.9
73.02958	17.3
80.08544	1.1
80.96525	2.1
81.03469	18.0
83.01390	8.2
85.02966	18.3
87.00901	4.0
89.02459	64.0
91.04028	1.3
93.03460	13.1
93.04601	1.3
95.01398	18.4
97.02954	5.9
98.20608	1.7
99.00898	1.6
101.02454	74.5
103.03996	2.1
105.70091	0.9
107.01372	1.3
109.02960	14.9
111.00909	1.8
113.02478	7.8
115.04009	2.6
119.03519	8.1
120.99345	15.0
122.00130	11.0
122.03770	1.8
123.00900	34.6
123.04524	3.9
125.02456	3.7
131.03497	4.8
136.98842	1.8
137.02463	71.9
137.06075	2.4
137.09703	2.0
138.02834	1.1
138.09241	2.2
143.03552	1.0
149.04539	3.2
151.00391	25.4
151.04083	5.0
153.01935	9.8
153.05563	1.2
155.03513	11.4
163.04034	1.3
163.06143	13.3
163.07494	1.6
166.02733	37.6
166.99892	11.6
179.05658	1.0
181.01491	10.8
181.05125	10.1
181.07201	53.1
181.08638	2.7
182.02203	2.9
182.07721	1.1
192.17999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0985
Annotation	N-Acetylnorloline
Peak:m/z	Relative Intensity
52.01912	0.8
58.02985	0.5
58.66703	0.5
59.01379	4.4
59.64499	0.4
63.96246	4.6
66.03481	0.5
70.70100	1.0
70.70415	0.6
71.01391	5.7
73.02952	1.8
75.00896	0.5
76.28489	0.6
78.98599	14.1
79.95739	0.8
80.03815	0.5
80.96506	1.9
82.02993	59.2
83.03317	0.8
84.04556	7.3
85.02956	0.8
89.02450	4.3
93.03454	1.4
97.02998	0.5
98.01244	0.8
98.02470	0.6
99.00853	0.6
101.02443	5.2
110.02493	4.4
111.03275	14.6
112.04108	2.6
113.02493	0.5
119.03517	0.8
120.08207	1.0
125.03524	0.5
125.07217	12.4
126.05630	1.6
126.09267	0.7
131.03604	0.7
135.09254	1.2
137.02441	0.7
137.10838	0.6
138.05688	1.0
138.09235	1.4
150.18941	0.5
151.00366	1.6
151.08743	0.7
153.06740	2.7
153.10350	2.4
154.08722	3.3
163.06131	0.8
163.08795	1.1
166.02768	2.4
167.19180	0.5
181.01711	2.1
181.07205	3.8
181.09837	100.0
182.10219	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	181.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01908	0.6
55.01877	0.3
57.03447	0.5
58.02974	0.5
59.01387	3.6
63.96244	9.6
66.03492	0.5
67.01894	0.3
69.35943	2.2
70.02975	0.6
71.01387	4.9
72.00946	0.3
73.02972	0.6
78.98597	32.7
79.95756	0.4
80.05099	0.5
80.96528	1.3
81.03505	0.3
82.02991	57.5
83.01379	0.6
83.03320	0.6
84.00921	0.6
84.04552	6.9
85.02962	1.2
89.02452	2.6
93.03470	0.6
96.04572	0.7
97.02953	0.4
98.01207	0.7
98.02498	0.6
98.06105	0.5
101.02445	4.2
108.04539	0.3
109.02950	0.5
110.02495	5.2
111.03274	16.2
112.04079	2.9
112.07700	0.3
116.44724	0.3
119.03529	0.4
120.08183	1.7
120.79456	0.3
125.03563	0.5
125.07215	11.9
126.05627	1.3
131.03452	0.4
133.07753	0.4
135.09293	1.5
137.02361	0.4
138.05618	0.4
138.09244	0.8
151.00401	1.6
151.08755	0.6
153.06720	2.5
153.10368	1.4
154.08740	3.1
163.06131	0.8
163.08797	1.0
164.04347	0.4
166.02679	1.8
179.35315	0.3
180.94807	0.3
181.01755	3.9
181.07187	3.2
181.09836	100.0
182.10181	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	182.046
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
55.56711	0.2
55.84089	0.2
59.01399	0.3
60.01726	0.3
69.03448	0.3
69.67860	0.8
69.68276	0.6
71.01376	0.7
81.02221	0.4
82.03006	0.5
83.05025	0.3
83.25695	0.2
89.02486	0.3
92.05075	4.2
94.02992	1.2
95.01405	0.3
97.48802	0.3
98.19854	0.3
102.02826	0.4
108.04569	55.5
109.04909	1.1
110.06153	0.8
111.04527	0.3
120.04571	6.1
122.02488	1.0
123.00906	0.3
123.03265	1.1
136.04065	0.8
138.05626	100.0
139.05963	2.9
152.03540	1.1
167.03162	0.4
182.04596	21.0
182.10088	0.6
183.04919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0981
Annotation	4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate
Peak:m/z	Relative Intensity
55.01889	7.1
58.76130	0.5
59.01382	1.2
59.55284	0.6
63.12248	0.5
66.20270	0.5
70.02996	2.4
70.67433	0.6
70.98646	1.0
71.01386	1.2
71.05029	1.3
72.04557	100.0
73.04891	1.0
78.79134	0.5
78.95923	0.7
82.02992	37.6
82.06615	1.1
83.05030	0.9
84.04523	0.7
94.02994	0.7
95.05048	1.2
98.02492	1.0
99.00891	20.4
99.01546	1.0
110.06129	0.9
111.08157	0.9
112.00386	0.6
112.04044	2.1
113.09743	2.4
115.08092	0.5
121.02898	0.6
122.06198	0.7
123.08183	0.9
124.04029	1.0
138.09282	4.4
140.07173	1.3
140.10828	72.0
141.09155	0.9
141.11147	2.2
166.08746	50.6
167.09045	2.2
184.06154	1.9
184.09769	34.5
185.10077	0.8
185.11848	0.6
202.07556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97558	0.4
56.98028	0.8
57.03472	0.5
59.01381	1.8
60.29814	0.4
66.40553	0.4
66.74181	0.4
69.35657	0.4
70.19585	1.7
70.19927	0.4
71.01380	0.8
71.05013	0.5
72.99320	0.5
83.01402	2.5
87.00883	0.6
90.97126	1.5
92.13840	0.5
97.01155	0.4
97.06606	1.1
99.02755	100.0
100.03147	2.2
111.00895	3.7
117.03500	0.5
117.37047	0.4
123.08156	0.5
125.06098	0.9
125.09745	9.5
141.09253	0.5
141.86815	1.7
143.01741	32.3
144.02122	0.8
144.04526	0.7
159.04562	1.5
160.04056	0.6
168.88922	1.6
186.95665	0.9
187.00688	1.3
187.02525	0.4
187.04030	1.6
187.06201	0.8
187.07693	1.6
187.09775	4.8
187.13356	0.6
209.57747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76943	0.8
55.01878	2.3
57.03451	0.9
59.01380	3.4
61.98827	0.8
67.01905	0.7
68.99831	0.7
69.03457	1.9
71.01389	2.0
71.05031	16.6
71.12692	1.2
73.25736	0.6
76.79479	0.6
80.02694	4.8
83.01398	1.8
85.06599	25.1
85.07117	1.3
87.02767	1.6
88.97058	0.7
90.97160	1.5
95.05054	2.2
97.06604	10.4
98.78530	0.6
99.00893	2.7
99.04547	0.8
107.05030	1.5
108.02180	2.0
109.06601	6.6
111.00898	2.2
113.06104	100.0
114.06432	2.3
115.05879	4.2
121.94849	0.6
123.04537	2.1
123.08191	0.9
125.06106	22.4
125.09737	11.5
127.04038	2.4
128.90813	0.6
131.05374	13.1
141.05595	38.4
141.86844	4.5
142.89319	0.6
143.07077	2.4
144.04565	10.3
153.05589	13.4
159.03264	2.1
159.04857	10.9
159.87837	0.9
160.04057	3.0
160.05258	0.7
163.58543	0.6
164.36411	0.7
168.88911	2.7
186.85576	1.4
187.03967	1.5
187.06303	1.0
187.07687	1.1
187.09766	4.4
187.13275	1.1
188.03593	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	187.0614
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
59.01384	6.2
69.03455	1.0
70.03140	2.4
71.05026	0.9
71.50053	0.5
79.05526	1.0
81.07102	1.6
83.05044	0.7
90.97172	0.6
95.05040	1.7
95.82982	0.6
97.02960	63.2
97.06596	2.8
98.03299	0.9
99.00885	2.1
99.08159	0.7
111.00916	1.9
113.06096	3.0
115.03981	2.8
125.06097	100.0
125.09738	4.2
126.06413	2.0
127.04051	1.9
139.04028	9.1
141.05550	1.2
141.86826	2.3
143.07132	5.7
145.05057	0.6
146.40669	0.7
168.88902	1.0
169.05077	65.8
170.05392	1.8
186.95490	0.6
187.06146	18.5
187.07805	1.3
187.09734	1.5
187.13376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
55.18192	0.2
57.03452	4.0
58.33058	0.2
69.03457	0.7
71.05038	0.3
74.34440	0.2
80.02705	0.3
83.05042	0.6
94.10541	0.2
95.05051	1.0
97.06601	14.1
98.06945	0.3
98.19865	0.4
123.08177	6.6
124.08493	0.3
125.09740	100.0
126.10065	2.9
128.54451	0.2
143.10788	2.2
151.58673	0.2
163.46626	0.2
169.08716	2.5
187.09776	39.0
188.10146	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	188.0356
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
61.98826	0.2
63.79585	0.1
65.99818	0.2
70.83112	0.2
76.39226	0.1
82.10545	0.1
83.36684	0.1
87.40264	0.1
100.29005	0.1
102.03519	0.7
116.05074	0.4
129.05536	0.2
141.86844	1.3
144.04565	100.0
145.04897	3.8
148.54657	0.1
148.77870	0.1
159.03310	0.7
159.87927	0.2
160.04004	0.2
185.16838	0.1
188.03545	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	188.0565
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
55.01871	1.2
56.72229	1.0
57.03447	4.3
59.01367	3.5
59.21842	0.9
62.74152	1.0
65.56280	1.1
71.05025	2.6
71.52762	1.2
72.00906	2.1
72.04561	8.1
73.02959	1.7
82.03007	4.0
83.01384	10.0
84.00922	1.5
84.04552	1.5
85.02988	2.2
86.02464	2.1
86.06126	7.1
86.93805	1.0
96.04574	8.8
98.02486	94.3
98.06123	3.0
100.04063	2.2
100.07694	1.6
102.05625	7.5
108.04575	3.5
109.88446	1.0
111.43732	1.0
112.04065	5.2
114.05618	96.7
115.05973	2.2
116.07197	16.1
124.04035	12.3
126.05625	15.7
128.03561	7.2
142.05110	100.0
143.05414	2.3
144.06674	43.8
150.64911	1.0
170.04559	2.9
188.05656	55.3
189.06007	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	188.0929
Annotation	Swainsonine N-oxide
Peak:m/z	Relative Intensity
51.03595	0.6
58.02981	16.9
58.77015	0.6
59.01398	0.7
61.11175	0.5
66.03475	0.7
68.05066	5.5
71.00494	0.7
71.00813	0.9
83.05044	0.9
98.02490	2.7
98.06140	1.4
100.07691	21.7
113.68318	0.6
114.05644	3.1
114.09256	57.3
115.09599	1.1
126.09242	0.8
142.05110	2.8
142.08748	90.2
143.09047	2.1
144.04572	0.9
144.06665	1.1
146.08241	6.9
170.08174	1.1
171.19838	0.6
186.07716	1.0
188.05705	2.1
188.09296	100.0
189.09608	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	188.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02658	0.6
55.01886	0.9
55.75895	0.7
57.03442	2.0
58.02981	22.3
59.01368	3.0
66.03486	0.8
68.05054	4.1
69.58275	0.6
70.27661	2.7
71.05021	2.8
72.04543	2.6
73.02951	1.0
82.02993	1.7
83.01396	4.4
83.05020	1.6
84.00916	1.1
84.97134	0.7
85.32568	0.7
86.02515	0.9
86.06123	3.6
88.04057	0.6
96.04561	4.2
97.02956	1.1
98.02484	46.1
98.06107	3.8
100.04070	0.8
100.07690	23.0
102.05623	4.2
108.04565	0.9
112.04059	3.4
112.07699	1.0
114.05618	45.8
114.09254	54.5
115.05981	1.1
116.07188	8.3
124.04047	5.0
126.05630	6.3
128.03598	3.7
140.07198	0.8
142.05107	44.6
142.08743	87.8
143.05475	1.0
143.09059	2.5
144.04553	1.8
144.06670	21.5
146.04634	0.9
146.08237	6.2
167.72377	0.7
170.08261	1.6
171.02985	1.3
186.07687	1.3
188.05681	26.1
188.09288	100.0
189.09624	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.9
59.01379	2.7
61.20875	0.4
66.08183	0.4
67.01901	4.6
69.03465	0.5
70.71943	0.7
70.72282	0.7
71.01385	1.5
73.02946	0.8
81.03481	0.6
83.05054	0.7
83.90359	0.4
85.02959	44.1
86.03289	0.7
87.00884	52.6
88.01222	0.8
92.26071	0.3
93.03456	4.6
99.04552	0.5
101.02475	1.0
103.04034	0.6
109.02963	1.2
111.00893	100.0
111.04533	1.6
112.01218	2.6
127.04020	2.8
129.01958	5.4
130.99873	0.9
138.38545	0.4
154.99857	0.7
171.02995	0.9
173.00932	1.4
173.04530	0.8
177.09033	0.4
191.02014	9.3
191.05632	60.8
192.02242	0.4
192.05937	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	191.0566
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
52.43344	0.1
55.01870	0.2
57.03452	1.1
58.00602	0.3
59.01384	3.4
59.82676	0.1
60.99297	0.1
65.03967	0.1
67.01897	1.6
69.03457	0.8
70.90114	0.2
71.01387	2.6
71.05024	0.1
72.99324	0.2
73.02947	1.0
78.95896	0.2
81.03467	1.3
83.01411	0.3
83.05032	1.1
85.02959	29.0
86.03299	0.5
87.00885	10.4
88.01226	0.2
93.03470	8.7
94.03780	0.2
94.55394	0.1
95.01396	0.3
96.02195	0.2
97.02951	0.3
99.00888	0.4
99.04530	1.2
99.25728	0.1
101.02454	0.3
103.82515	0.1
106.06815	0.1
108.02195	0.3
109.02966	2.3
111.00894	10.2
111.04531	2.4
112.01250	0.2
113.02448	0.4
115.03998	0.1
125.02485	0.3
126.00036	0.1
127.04031	5.8
128.04375	0.1
129.01967	0.5
129.05550	0.1
136.68044	0.1
137.02457	0.5
143.03516	0.2
145.05161	0.1
148.96739	0.2
149.96278	0.2
153.01955	0.3
154.91591	0.5
155.03522	0.3
171.03020	1.5
173.00859	0.2
173.04550	2.4
191.05627	100.0
192.05972	2.7
192.07724	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	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03450	0.6
59.01385	4.0
60.17591	0.3
61.01546	0.2
67.01890	0.9
69.03487	0.6
70.28635	0.9
71.01394	2.2
73.02946	1.2
81.03461	0.9
81.93171	0.2
83.01412	0.3
83.05031	1.3
85.02959	25.7
86.03297	0.4
87.00887	6.2
93.02876	0.4
93.03466	8.4
98.99506	0.3
99.04542	0.9
106.86997	0.2
109.02962	1.9
111.00898	2.5
111.04520	2.6
112.96098	0.3
127.04025	4.9
129.05629	0.3
137.02448	0.5
149.85167	0.3
153.01956	0.2
153.03848	0.3
155.03511	0.3
171.03049	1.4
173.04576	2.5
191.05629	100.0
192.05978	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	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
59.01384	0.3
69.03485	0.3
69.62817	1.2
69.85938	0.2
70.34856	0.2
71.01394	0.4
73.02953	0.3
85.02987	0.4
87.00898	0.3
89.03979	4.4
98.20702	0.2
99.00879	0.4
101.02451	0.7
106.04263	1.5
107.05036	0.2
109.03010	0.4
111.00843	0.5
117.03482	7.4
117.04305	0.5
121.02956	1.3
131.46913	0.2
133.02969	3.2
134.03760	100.0
135.04092	2.8
137.02463	6.8
139.04037	2.2
149.06099	9.1
149.07275	0.5
150.03261	0.9
150.06395	0.4
161.04564	0.8
169.83502	0.3
178.02731	22.3
179.03065	0.7
193.05081	14.5
193.07043	0.7
194.05540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10850	0.3
55.01879	0.4
57.03442	0.7
59.01382	2.6
64.30705	0.3
69.03465	0.9
69.80644	1.6
71.01390	3.3
73.02956	3.2
73.69723	0.3
81.03462	0.5
83.01398	1.1
85.02969	3.0
86.00096	0.5
87.00886	2.8
89.03978	4.0
95.01391	0.6
97.02964	1.8
99.00880	2.2
101.02455	4.8
106.04250	1.2
107.53596	0.4
111.00907	0.5
112.01640	0.3
113.02457	0.7
117.03476	6.5
121.02943	1.1
123.04531	0.4
125.02449	1.1
133.02982	2.6
134.03760	100.0
135.04060	2.8
137.02458	7.4
138.02809	0.4
139.04028	2.5
140.01181	0.4
141.01950	1.1
149.04913	0.6
149.06108	9.7
150.03279	0.5
155.03545	0.6
161.04570	4.6
165.01999	0.6
167.70711	0.3
178.02736	24.9
179.03088	0.6
193.05093	14.8
193.07173	2.9
194.05347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0512
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03469	4.8
59.01385	23.8
70.06815	4.0
71.01389	13.0
72.99310	8.0
75.00882	100.0
76.78544	1.2
78.95905	3.8
83.01394	1.3
85.02955	7.3
87.00877	17.5
89.02457	10.8
90.40689	1.0
94.95749	1.3
96.95473	1.6
96.96034	4.6
96.96985	5.3
99.00887	12.8
101.02425	2.9
105.01942	13.5
109.01914	0.9
111.00901	3.8
113.02512	0.9
129.01964	33.3
129.87376	0.9
130.02264	1.0
139.68805	1.1
141.01988	3.1
144.50179	0.9
147.03076	6.3
152.94456	3.2
159.02992	10.1
160.03351	0.9
160.84247	4.1
177.04079	10.9
195.05113	74.0
195.81148	1.6
196.05370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	4.8
59.01385	23.8
70.06815	4.0
71.01389	13.0
72.99310	8.0
75.00882	100.0
76.78544	1.2
78.95905	3.8
83.01394	1.3
85.02955	7.3
87.00877	17.5
89.02457	10.8
90.40689	1.0
94.95749	1.3
96.95473	1.6
96.96034	4.6
96.96985	5.3
99.00887	12.8
101.02425	2.9
105.01942	13.5
109.01914	0.9
111.00901	3.8
113.02512	0.9
129.01964	33.3
129.87376	0.9
130.02264	1.0
139.68805	1.1
141.01988	3.1
144.50179	0.9
147.03076	6.3
152.94456	3.2
159.02992	10.1
160.03351	0.9
160.84247	4.1
177.04079	10.9
195.05113	74.0
195.81148	1.6
196.05370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01368	0.4
61.98832	0.7
70.08520	0.7
70.08915	0.6
84.00263	0.3
98.78437	0.3
107.26347	0.3
109.06597	3.7
111.08179	3.3
125.09739	1.5
135.11821	0.5
138.06871	1.3
143.63666	0.3
152.91805	3.2
160.84218	8.8
165.01907	0.5
167.14438	7.7
167.90475	1.3
177.12988	0.3
179.10753	4.8
180.04285	0.4
180.11353	0.4
193.13577	0.3
194.92812	1.3
195.13910	100.0
195.81133	3.1
196.09779	1.5
196.14270	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	196.0981
Annotation	ETHYLNOREPINEPHRINE
Peak:m/z	Relative Intensity
50.46663	0.2
52.62906	0.2
68.99791	0.3
70.29697	1.0
76.64494	0.2
83.01394	21.2
84.01733	0.3
96.00954	0.3
98.02477	0.3
106.18803	0.3
112.01617	0.7
113.84185	0.3
123.00918	0.6
123.03249	0.4
136.04019	1.1
136.07684	0.9
138.01981	18.3
139.02771	19.4
140.03441	0.8
150.05664	0.6
154.08830	1.2
160.84181	0.4
163.06372	0.5
171.01723	0.4
178.08733	2.4
182.02234	0.6
196.09798	100.0
197.10127	3.9
197.11873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0457
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
59.88995	0.6
65.00335	0.8
69.18758	6.2
89.00371	1.3
91.56650	0.6
95.01401	16.5
97.02991	0.6
97.78539	0.7
98.19817	1.3
106.00658	1.6
107.34280	0.6
109.03021	1.0
121.02969	22.1
123.00900	64.7
124.01295	1.0
127.00337	0.8
132.42091	0.7
137.02458	0.8
138.03246	17.4
139.00371	0.9
148.50879	0.6
150.56871	0.6
153.01933	0.6
153.05589	14.3
153.06763	1.1
156.23003	0.6
162.83965	2.0
166.99870	45.2
168.00162	0.8
181.01437	1.8
182.02229	100.0
183.02576	2.9
197.04562	25.1
197.11823	0.8
197.80788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.15796	0.4
61.98832	0.9
63.37687	0.4
64.09861	0.4
67.01891	0.6
69.03464	1.1
70.71730	0.7
70.72061	0.8
71.05029	1.1
76.91735	0.5
84.54417	0.5
95.01363	0.8
95.05022	0.5
97.02979	1.0
97.06604	15.7
99.08170	3.6
103.97668	1.0
109.06591	0.5
111.08173	0.6
116.92864	0.8
121.02984	1.0
122.03767	2.3
123.00909	3.3
123.04539	0.5
125.09796	0.8
126.03234	0.8
126.90494	1.1
135.08099	0.4
137.09698	1.4
137.16406	0.5
137.93604	0.5
138.03249	0.8
151.11295	1.1
153.05646	1.0
153.12866	100.0
154.13229	2.9
160.84216	9.4
161.84227	0.7
162.83929	25.5
166.99901	2.1
179.10791	20.9
180.11072	0.8
182.02226	4.0
197.02130	1.0
197.04471	1.1
197.08186	0.8
197.10075	2.0
197.11853	7.6
197.80806	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01386	1.2
65.63828	0.5
69.03456	2.8
70.71457	1.1
83.01436	0.7
83.05045	0.8
97.02979	1.1
101.75282	0.5
111.31613	0.5
113.38251	0.5
123.00893	2.6
126.90533	1.0
141.09230	0.9
151.11353	0.7
153.05589	1.0
153.09187	1.9
153.12883	3.9
159.50854	0.5
160.84239	5.5
162.83934	18.9
166.99849	1.9
169.12352	17.5
179.10760	1.9
182.02229	4.1
197.11841	100.0
197.80804	10.3
198.04185	0.5
198.12148	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	198.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01638	2.2
55.01884	20.4
57.03447	9.2
58.45309	2.6
59.44498	2.2
69.03465	2.6
70.67083	2.4
70.67410	5.6
82.02986	5.4
83.01395	21.8
97.02922	4.1
98.19964	2.5
99.08176	5.8
107.95572	2.7
111.03297	4.1
119.04840	2.4
119.36347	2.5
124.07709	20.6
126.09265	100.0
128.03513	3.6
136.07683	4.1
152.07158	5.0
154.08754	94.3
155.09116	3.0
160.84218	9.5
162.83934	26.3
197.80829	15.5
203.50513	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	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03448	0.7
59.01394	0.9
67.01893	1.1
68.94584	0.5
69.03475	0.8
71.05021	1.1
71.54584	0.6
72.97545	0.8
73.02953	2.9
74.02470	0.7
75.90395	0.5
82.02973	1.3
83.01412	0.7
84.04552	0.9
85.55641	0.5
87.00945	0.5
87.73245	0.5
91.56344	0.6
92.99857	1.5
93.03455	0.5
99.00896	1.4
99.02745	1.0
101.04521	0.5
111.00897	1.3
111.04470	0.5
113.02463	0.8
116.07190	1.1
127.02250	68.7
128.02573	2.1
128.03557	6.2
135.08205	0.8
137.09738	9.4
155.10794	100.0
156.11115	3.4
181.09892	1.4
184.05344	0.7
189.12843	0.5
199.00615	0.9
199.02487	0.9
199.06082	0.6
199.07640	1.9
199.09731	4.8
199.11075	3.5
199.13411	4.7
199.17049	3.1
213.65990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01911	0.9
58.02973	1.3
70.09415	3.3
72.00918	5.5
74.02478	15.8
82.02988	15.7
84.04552	12.6
85.02959	1.2
86.02491	8.0
91.13068	0.6
98.02493	1.2
98.20528	1.0
99.65428	0.7
111.03284	1.3
112.07700	5.1
123.18098	0.6
124.07692	2.7
125.07225	1.8
127.05147	7.0
128.03554	100.0
129.03914	1.8
137.35413	0.7
138.09140	0.7
153.10353	2.3
155.11917	20.6
163.93893	0.7
181.09840	29.5
182.10233	0.8
199.10899	89.1
200.11220	2.8
200.13045	0.7
200.69885	0.7
215.21310	0.6
215.24319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78139	0.6
58.02984	0.6
69.19612	4.8
70.90395	0.5
72.00916	6.1
74.02483	14.0
82.02995	14.8
84.04555	13.2
86.02484	6.4
98.02471	0.7
103.87110	0.5
110.02491	0.8
111.03291	1.6
112.04070	0.7
112.07697	5.3
119.61337	0.5
124.07722	2.8
125.07243	1.9
127.05153	6.8
128.03560	100.0
129.03899	1.8
138.09276	0.9
151.08781	0.9
153.10382	2.7
155.11920	18.4
156.12262	0.6
163.58258	0.6
179.08299	1.1
181.09846	32.6
182.10147	1.1
199.10899	78.3
200.11266	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	199.1341
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03478	0.6
59.01379	1.1
60.88350	0.5
66.68288	0.4
67.01881	0.8
69.21817	3.9
71.01361	0.5
71.05006	0.6
73.02953	0.6
74.02464	0.6
83.01373	0.6
83.05032	0.8
84.04578	0.6
84.39085	0.5
85.02991	0.5
87.97754	0.5
92.99797	0.7
97.02971	0.5
99.00893	1.7
99.08166	0.6
105.68469	0.5
108.02333	0.4
111.00890	1.4
113.02367	0.5
116.07175	0.8
117.35939	0.4
127.00360	0.7
127.07615	0.4
128.03568	2.5
136.98790	0.6
137.09753	0.7
153.12839	0.5
153.78535	0.4
155.10799	1.0
155.11923	0.6
162.82631	0.5
162.83939	2.7
163.11250	0.9
164.83676	2.6
169.12375	6.3
181.09801	1.1
181.12355	23.2
182.12663	0.9
190.60757	0.4
197.11847	1.9
198.98894	0.4
199.13409	100.0
199.17065	2.8
199.80586	2.5
200.13724	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	200.0931
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
51.14486	0.2
55.01866	0.3
57.03459	0.7
59.01388	0.7
61.02431	0.3
63.07772	0.2
64.35767	0.3
70.03082	0.5
70.03494	0.7
72.04561	1.8
82.03009	1.1
83.01409	0.4
85.02959	0.4
87.29319	0.3
95.70034	0.3
100.04050	0.5
114.09896	0.3
116.07189	100.0
117.07542	2.0
126.09286	0.6
128.10829	12.1
129.11201	0.3
138.09248	0.9
154.08746	1.8
156.10336	2.7
164.83592	0.3
182.08234	0.3
200.09293	22.9
201.09642	0.7
203.50714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.56831	0.3
60.01728	0.6
69.84693	1.1
71.19360	0.2
85.04688	0.3
102.60977	0.2
113.04588	0.6
157.02415	0.5
157.03584	6.1
159.01474	2.0
201.02554	14.5
202.02762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03448	1.2
58.00597	2.5
59.01391	4.2
67.82661	0.4
69.03457	0.4
69.45892	0.6
69.46298	2.0
71.01397	0.4
73.02950	0.9
80.70513	0.3
83.05070	0.4
85.02968	0.5
87.04511	0.5
94.77574	0.4
97.06599	0.7
98.19929	0.9
108.37313	0.4
111.08179	4.1
117.38483	0.4
123.08186	0.5
125.09747	6.7
127.11311	10.8
129.03828	0.8
137.09752	1.4
139.11308	2.2
139.22993	0.4
143.29395	0.5
153.09218	0.6
155.10822	4.0
157.06601	2.2
157.12376	0.7
163.04196	0.6
165.09224	4.3
171.10309	4.4
173.06065	1.4
183.10292	3.2
199.09795	3.8
201.05605	2.2
201.11346	100.0
202.11731	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	203.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51432	1.0
51.13421	0.9
57.03445	1.6
59.01387	100.0
69.03470	2.2
71.01366	5.8
71.54532	1.4
72.99303	1.0
73.02934	1.4
81.03457	2.2
83.01434	1.2
83.05045	6.8
85.02943	1.5
103.92027	2.7
111.06918	6.0
113.02478	1.2
126.09261	38.1
128.10820	2.7
131.05017	1.2
154.08690	1.6
159.04610	1.3
170.08221	1.1
174.03227	1.3
175.04034	1.5
188.04472	1.3
203.03635	5.6
203.07114	3.0
203.10689	1.6
203.12949	2.3
204.12418	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	203.0829
Annotation	Tryptophan
Peak:m/z	Relative Intensity
50.87039	0.7
60.64072	0.7
69.79806	1.8
69.80247	2.1
72.00510	1.1
72.00917	23.3
74.02485	32.4
75.43263	0.6
85.06585	1.5
90.34576	0.6
105.82637	0.7
112.77714	0.7
116.05077	100.0
117.05403	2.0
126.09286	1.5
130.06633	2.4
142.06636	28.0
143.06987	0.7
157.07684	1.1
159.09286	15.7
161.04825	0.8
172.62398	0.8
186.05623	3.1
203.08282	63.3
204.08615	2.0
204.12354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41395	0.1
59.01384	21.7
60.01719	9.7
61.01813	2.7
61.02113	0.3
61.98836	100.0
62.02142	0.2
62.98526	0.1
70.90348	0.4
71.01392	0.4
72.99322	0.3
75.00827	0.2
80.33855	0.1
81.03468	0.4
83.05039	1.6
98.19900	0.2
101.12957	0.1
111.06904	1.3
115.00403	0.2
126.09261	8.5
128.10823	0.5
138.66232	0.2
143.86549	0.3
150.58218	0.2
154.08679	0.2
159.03307	0.2
160.03651	1.1
161.01277	0.4
162.01649	0.5
170.08229	0.3
172.09836	0.3
186.11401	0.3
203.99931	0.6
204.02701	3.3
204.12411	12.7
205.12659	0.5
205.15945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
50.16640	2.9
55.01869	10.6
57.03447	13.2
58.02983	19.2
59.01385	77.4
61.98830	3.2
67.01900	5.3
68.99824	7.9
71.01389	100.0
71.05032	7.2
71.52833	3.1
72.99310	41.5
73.02946	19.5
75.00877	40.0
76.18442	2.6
81.03469	5.9
83.01392	20.0
84.99323	3.2
85.02951	44.1
85.24905	3.9
87.00886	62.8
88.04042	4.6
89.02442	6.5
96.99345	8.4
98.65771	2.8
99.00893	48.2
99.04517	8.1
101.02441	18.3
101.71397	3.7
103.00390	7.3
108.60891	2.6
111.00175	5.6
111.00894	66.3
112.98818	25.6
115.00381	79.8
115.04030	4.2
116.42386	2.6
117.01946	17.6
118.03331	22.7
124.98829	15.5
125.02459	39.4
127.00372	11.5
129.01924	19.4
133.02950	2.7
140.08279	2.7
141.07524	4.3
142.99866	25.2
145.01431	17.7
145.05057	4.3
154.99846	19.4
161.04651	3.7
173.00967	6.0
175.02451	6.8
187.02409	4.3
205.03514	24.0
205.07188	3.7
205.09090	10.8
205.12650	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.9
57.03446	4.8
58.00602	2.5
58.02983	3.1
59.01385	56.1
59.43893	1.5
60.99316	3.1
64.33815	1.7
68.99817	7.7
70.25868	5.5
71.01388	72.7
72.99319	36.7
73.02957	10.2
75.00883	25.0
78.84785	1.6
81.03474	1.8
83.01388	15.0
84.99310	2.6
85.02960	14.3
87.00884	30.3
88.98772	2.2
89.02451	10.7
96.99310	4.4
99.00886	44.4
101.02463	5.9
103.00385	3.4
104.29408	1.7
111.00880	21.1
112.98821	100.0
115.00377	55.8
116.00767	1.7
117.01940	8.1
118.25046	1.8
124.98801	7.6
125.02465	5.7
127.00385	8.2
129.01967	12.2
130.67010	1.8
141.07549	2.0
142.99889	12.6
145.00534	2.2
145.01472	18.7
150.19383	1.9
154.99892	7.3
159.08566	2.5
173.00945	8.9
175.02487	4.2
205.03465	4.8
205.09062	4.9
205.12784	3.7
205.15968	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.3
57.03453	22.2
58.25282	0.5
59.01389	5.0
62.13455	0.6
67.01892	5.2
68.99812	1.4
69.46763	3.7
69.86722	0.5
71.01389	28.9
72.99325	4.0
73.02963	2.8
75.00888	7.7
81.03454	1.5
83.01397	18.7
84.02171	2.9
85.02958	100.0
86.00133	0.9
87.00877	3.7
88.01671	0.9
98.19876	0.7
99.00887	2.6
101.02452	11.4
101.37794	0.5
103.04009	1.9
111.00894	39.7
115.00390	3.4
117.03427	0.7
125.02476	3.4
127.09579	1.1
129.01947	9.1
133.06587	0.6
143.03497	1.1
154.99832	1.0
161.04584	5.4
161.05992	1.0
173.00938	0.8
177.01970	0.8
177.05542	0.7
187.02475	2.1
190.02777	0.9
205.03526	26.0
205.05151	1.7
205.12840	2.7
205.15997	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	205.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71981	0.7
53.28125	0.7
57.03456	20.7
59.01393	3.5
64.24101	0.7
65.62061	0.6
69.03452	2.2
71.01386	4.0
72.99315	1.8
73.42010	0.7
75.00881	1.9
79.05546	0.9
79.36885	0.6
81.03470	0.8
83.01390	1.2
83.05022	2.0
84.05374	0.7
85.02956	3.0
85.06593	5.2
87.00887	0.9
93.03469	1.6
95.05046	1.6
96.48390	0.7
98.19876	1.6
99.00944	0.8
101.02461	0.8
106.04289	0.8
107.05042	36.4
108.05332	1.2
109.02969	1.8
109.06598	2.4
111.00893	2.2
115.00375	3.1
119.05013	3.3
120.05809	1.2
121.06609	3.3
123.04539	1.7
123.08141	1.9
124.98841	1.0
127.09622	2.3
129.01970	1.0
133.06616	1.2
135.08183	6.4
137.06090	3.0
147.08159	7.2
148.08929	1.0
149.06094	24.2
149.09724	2.2
161.06036	2.1
161.09700	3.1
162.06871	1.6
163.07622	1.0
163.11311	43.0
164.11617	3.0
171.08202	1.3
175.07646	2.6
175.11374	3.9
177.01984	1.1
177.05559	0.9
177.12869	6.9
187.11299	16.6
188.11597	0.9
189.09171	1.8
190.02779	1.1
190.10005	7.2
205.05063	1.9
205.12357	100.0
205.15991	5.6
206.12709	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	205.1599
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01367	0.3
61.98840	0.3
65.39602	0.2
70.99172	0.5
71.01389	0.3
75.29366	0.2
82.89875	0.2
93.62709	0.2
123.26610	0.2
126.09337	0.3
127.09569	0.5
189.12918	1.5
205.15985	100.0
206.16328	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	206.0825
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
54.58802	0.7
55.01899	0.8
58.02982	60.6
59.01380	1.9
59.03297	0.8
69.53014	5.5
70.02987	9.3
72.00915	3.5
91.05545	9.5
101.91774	1.0
103.05535	1.0
110.40190	0.7
119.05120	1.0
134.76575	0.7
135.04568	2.4
147.04533	33.5
162.09286	1.4
164.07179	100.0
165.07513	3.6
177.01947	5.0
186.36401	0.8
192.04288	3.8
206.08231	43.5
206.16270	0.9
207.08511	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	206.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	37.2
59.03337	0.6
69.47347	5.2
70.02988	13.3
71.31427	0.7
72.00922	6.5
91.05545	12.6
98.20670	0.9
103.05576	1.5
119.05076	0.9
129.61581	0.7
135.04533	1.9
147.04549	41.5
148.04887	1.3
162.09279	1.0
164.07190	100.0
165.07538	2.3
177.01973	2.5
188.24586	0.7
192.04300	2.2
206.08238	34.9
207.06697	1.0
207.08556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83963	0.8
57.03443	4.6
59.01374	3.2
60.42524	0.9
70.49395	1.7
70.49725	1.9
71.05027	1.0
79.19212	0.8
79.95744	0.9
83.05020	4.2
93.03484	1.4
93.85767	1.0
97.06581	1.2
98.19957	1.0
105.07080	1.7
107.05039	1.3
107.61324	0.9
109.06625	1.0
121.03017	0.9
121.06596	2.8
123.04581	1.7
123.08173	17.5
137.09741	16.9
143.04993	1.4
149.02475	5.3
155.08644	4.0
163.03990	1.5
163.11298	8.2
171.11804	6.8
173.09686	9.1
177.01952	25.5
178.02213	1.1
187.67680	0.9
189.12868	100.0
190.13184	4.0
192.00722	2.0
192.04320	22.4
207.01198	3.9
207.03015	3.0
207.06583	6.4
207.10205	2.5
207.12033	1.9
207.13916	27.8
208.14267	1.6
224.42786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0457
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01379	0.5
65.00346	0.3
66.01131	0.4
69.71189	1.3
71.01389	0.3
77.03983	0.2
91.01911	1.4
93.03477	0.6
95.01395	0.4
120.02181	3.3
121.02968	100.0
122.03310	2.6
123.00806	0.3
136.01668	1.0
148.07730	0.3
150.03261	0.8
151.04024	0.9
152.07227	0.3
161.02444	2.1
165.05522	0.3
176.04790	0.8
179.03506	3.8
180.03780	0.3
181.05035	0.6
191.07137	0.4
194.02225	0.7
194.05865	2.5
209.04562	11.9
209.08130	0.8
209.11841	1.6
210.04926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0458
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01382	0.7
66.01109	0.3
69.41335	2.0
73.02962	0.9
83.05050	0.6
88.42478	0.3
91.01919	1.3
91.05534	0.8
93.03471	0.5
95.01409	0.6
95.05028	0.4
98.19946	0.5
103.00124	0.2
108.02174	0.7
109.03011	0.4
120.02190	2.6
121.02969	100.0
122.03285	2.6
123.00932	0.3
123.04485	0.4
124.04119	0.3
128.92055	0.2
133.02943	0.5
135.04558	0.6
136.01700	1.5
150.03189	0.4
151.04030	0.5
153.01965	0.6
161.02454	0.9
163.03989	0.5
165.01962	0.3
165.05577	0.7
176.04787	0.4
179.03499	2.0
181.05061	0.9
194.02196	0.7
194.05855	1.4
198.80017	0.2
208.99146	0.5
209.03064	0.5
209.04562	13.2
209.08119	1.1
209.11806	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	209.0458
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01389	0.8
63.97100	0.2
65.00346	0.3
71.00861	0.5
71.01212	0.4
72.99318	0.7
74.35796	0.2
80.02750	0.3
91.01923	1.5
92.05008	0.3
93.03466	0.8
95.01355	0.6
95.05019	0.3
96.96001	0.4
98.02473	1.6
105.03476	0.4
108.02180	0.6
109.02979	0.4
120.02186	1.9
121.02967	100.0
122.03280	2.7
123.00858	0.3
123.04535	0.4
124.04055	0.6
133.02928	0.4
135.04448	0.5
136.01691	1.4
137.02449	0.3
147.04559	0.8
149.02522	0.4
150.03261	0.8
151.04033	0.9
160.04146	0.3
161.02460	2.4
165.05566	0.8
175.96387	0.3
176.04811	1.0
178.99950	0.6
179.03529	2.8
181.05093	0.8
191.01868	0.3
191.03473	1.4
191.07181	0.4
194.02226	1.3
194.05894	2.6
208.99057	0.4
209.04561	13.7
209.08192	1.1
209.11760	1.8
210.04922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
63.07782	0.3
67.58046	0.3
69.72890	0.8
69.73303	1.3
70.69453	0.3
71.48119	0.3
80.02671	2.5
80.96503	0.3
81.03442	2.1
83.04581	0.6
83.05035	8.6
85.79613	0.3
93.03474	0.9
95.05036	1.4
98.19920	0.7
106.30193	0.3
120.02208	0.5
121.02967	13.4
122.03242	0.6
124.04031	0.8
125.06064	1.1
125.09820	0.5
135.08171	1.6
147.11819	0.4
151.04129	0.4
161.02475	0.6
163.11298	7.8
165.12839	4.5
175.03427	0.3
179.03468	0.9
181.12332	1.6
191.10796	2.0
194.05896	1.2
209.04565	1.9
209.11841	100.0
210.12187	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03445	3.5
59.01386	11.5
69.03468	17.5
69.54197	9.3
71.05034	3.7
74.85141	1.2
81.03445	1.4
83.05050	5.8
93.03474	3.5
94.03036	1.2
95.05043	2.7
96.96011	8.2
97.06564	1.6
108.05807	2.4
109.06602	2.4
111.08163	3.9
121.02975	49.2
122.03329	1.9
124.04049	3.4
124.38187	1.5
127.07642	1.3
130.04259	1.3
147.11830	3.4
153.09209	5.3
153.64893	1.5
163.11290	5.0
165.09233	2.5
165.12843	19.6
179.03499	1.9
181.12341	18.1
182.25311	1.2
191.10789	20.5
194.02090	1.8
194.05833	1.9
209.04581	7.7
209.08549	6.8
209.11845	100.0
210.12193	4.7
211.42310	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1186
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01366	0.6
61.98835	3.6
71.23797	1.0
71.24141	0.5
78.43781	0.5
83.05026	0.9
83.92477	0.5
92.99802	0.6
95.01427	0.5
96.95979	0.5
118.94202	0.7
121.02975	26.7
122.03327	0.7
124.04049	1.4
136.01793	0.7
137.78928	0.6
179.03401	0.7
194.05779	0.9
209.04645	2.5
209.11842	100.0
209.94949	0.9
210.12233	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	209.1184
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
55.01885	2.2
57.03452	2.2
57.27619	0.5
59.01383	2.2
61.98838	6.7
65.00330	0.9
66.01141	0.9
69.23750	3.7
69.24176	2.0
71.01369	1.0
71.05037	1.2
80.02708	1.3
80.96528	0.6
81.03450	5.0
83.01396	25.1
83.01902	1.3
83.05045	4.8
84.02164	1.0
84.04586	0.6
91.01926	1.9
92.99829	2.7
93.03484	1.3
94.02999	2.3
95.01392	0.8
95.05051	2.0
96.96032	2.2
97.06599	4.1
107.05098	0.7
109.02980	1.0
109.06652	0.6
111.08184	0.7
118.94199	3.0
120.02191	1.1
121.02969	97.6
122.03239	2.9
123.00868	1.1
123.04513	0.6
123.08172	2.2
124.04063	4.5
125.02477	0.7
125.06127	0.8
125.09736	22.2
125.10634	1.2
135.08185	2.7
136.01695	0.9
136.98824	1.9
147.11771	1.2
148.93298	0.8
151.04007	1.0
161.02419	1.1
163.11317	11.0
164.11699	0.8
164.94125	1.1
164.98337	2.2
165.02010	0.8
165.05524	1.2
165.09352	0.6
165.12917	3.3
166.02664	0.9
166.94240	0.8
172.88159	0.7
173.09840	0.8
179.03500	2.4
181.05162	0.9
181.12308	1.1
181.58321	0.6
191.10800	7.6
194.02196	1.8
194.05946	1.5
209.00948	1.1
209.04561	13.4
209.11844	100.0
209.94908	1.5
210.04929	0.6
210.12166	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	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
56.61595	0.7
57.03460	3.6
59.01383	2.6
61.98832	8.7
63.24500	0.6
65.00322	1.1
69.03463	1.6
71.01390	10.4
71.05029	0.8
71.53970	1.0
78.71042	0.7
80.02683	1.4
81.03472	2.6
83.01387	7.3
83.05038	3.2
84.02148	1.3
91.01911	1.3
92.99836	2.6
93.03459	2.3
94.03001	3.1
95.01383	1.1
95.05045	2.6
96.95992	1.8
97.06593	4.4
107.05038	1.0
108.02199	0.9
109.02967	0.9
111.08161	0.8
118.94228	1.4
120.02194	1.6
121.02969	100.0
122.03316	3.0
123.08137	1.5
124.04057	5.5
125.02449	1.0
125.09748	8.0
135.08231	1.6
136.01686	2.2
136.98795	1.6
137.02481	1.7
137.06120	0.9
142.15959	0.8
147.11797	1.9
151.03996	1.3
151.11296	14.1
153.12889	1.6
161.02434	1.7
163.11285	8.3
164.98323	1.2
165.01961	0.9
165.05551	0.9
165.12856	11.5
170.17891	0.6
173.09743	1.7
176.04784	0.8
179.03503	2.7
179.10800	2.3
181.05115	0.8
181.10846	1.3
181.12373	20.8
191.10789	10.4
194.02226	2.1
194.05856	2.8
209.04564	12.2
209.11838	75.7
209.95000	3.5
210.04915	0.8
210.07756	0.8
210.12207	3.2
224.48482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.041
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
58.86136	0.5
59.01382	1.6
61.98835	0.7
64.01934	0.8
69.03488	0.5
69.93417	1.4
77.04008	0.9
85.02974	0.5
92.05062	0.9
94.03013	2.1
94.03699	0.7
95.01400	1.0
96.96016	0.6
98.02470	2.9
98.20578	0.6
103.04281	2.3
103.92010	0.5
104.05075	38.7
105.05390	0.8
108.02200	2.6
109.02953	1.8
118.26775	0.5
120.02175	1.5
120.03793	0.7
120.04586	5.8
122.06142	2.0
123.04557	1.3
124.04053	5.0
125.02471	1.4
129.05630	0.6
136.01672	2.9
138.03310	0.5
148.01686	12.2
148.04063	65.3
149.04391	2.0
151.04047	3.8
152.01196	2.0
153.05595	10.3
156.94019	0.9
163.04024	12.3
165.02025	0.6
166.05107	100.0
166.91098	2.0
167.05431	3.1
180.04024	0.5
181.05087	12.9
194.69424	0.5
195.06258	0.5
196.03812	1.5
210.04085	10.6
210.07785	1.9
210.12230	0.8
210.89906	0.6
211.06114	5.1
211.13445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0252
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
55.01880	0.5
55.71553	0.4
57.03430	0.4
59.01386	1.4
67.01897	0.9
68.12754	0.4
70.20360	0.4
70.72185	0.6
70.72526	0.7
72.04556	4.5
72.99321	2.2
75.14395	0.4
78.87825	0.4
80.02689	1.8
81.03506	0.7
82.03004	1.5
83.01395	0.9
83.05048	0.5
85.02980	0.6
91.01911	0.6
93.03498	0.8
95.01402	1.8
96.96026	0.9
97.02980	0.8
98.02505	0.8
100.04014	0.4
103.92049	0.5
107.01440	0.5
108.02188	62.2
109.02506	1.4
109.06599	0.8
111.00888	0.8
111.03291	0.6
121.02970	0.9
123.00915	2.1
123.04546	14.6
124.01723	0.9
124.04082	0.6
124.04929	0.6
125.02447	1.1
129.05638	0.6
134.03757	3.8
135.00882	3.5
136.01662	0.7
136.90028	0.5
137.02460	1.2
138.09267	1.0
139.04066	0.7
140.10841	3.0
148.01678	0.5
149.02444	1.2
149.06108	0.7
150.03246	4.4
151.00372	0.5
151.04028	0.6
152.01169	100.0
152.91814	0.6
153.01793	3.9
153.05563	1.6
156.93906	0.8
163.00394	19.6
163.04041	0.8
165.05557	2.2
166.02728	2.5
166.08760	0.5
166.91060	2.3
166.99922	0.8
167.03514	13.5
167.10756	0.5
168.10315	6.2
178.02725	13.2
179.03166	0.5
181.01453	5.0
181.05038	2.6
183.06639	4.6
192.97768	0.4
193.05055	7.1
196.00133	8.7
196.03723	2.9
211.02505	44.7
211.05939	7.9
211.13379	4.2
212.02789	1.5
212.09265	1.0
223.76543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.31459	0.3
55.90045	0.3
58.72273	0.3
63.84726	0.3
69.03453	0.9
83.05039	0.7
154.35103	0.3
155.10814	0.5
165.12849	0.5
167.10759	0.7
167.14412	1.3
183.13919	14.4
184.14285	0.6
193.12360	4.0
195.92880	0.3
196.03795	0.4
211.13408	100.0
212.13765	4.4
229.76683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.093
Annotation	Omuralide
Peak:m/z	Relative Intensity
51.74537	2.1
55.01868	7.2
56.91286	2.1
57.00954	2.0
57.03436	3.7
59.01361	2.6
70.65746	6.5
72.04554	82.6
72.99303	3.5
82.02991	17.8
83.01397	16.8
90.58889	2.1
93.03474	3.0
100.04044	9.5
104.62916	2.5
106.06583	3.7
107.04975	3.0
107.39539	2.2
111.03243	3.5
122.06104	2.6
124.07635	2.6
125.34136	2.4
136.07713	3.7
138.09258	10.6
140.09724	2.7
140.10828	57.5
166.08708	5.8
168.10312	100.0
179.03340	2.6
212.09254	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
52.95686	0.6
57.03455	4.6
59.01373	1.3
69.03479	1.2
69.76791	3.0
83.05022	1.0
98.20631	1.2
111.08178	6.7
119.08722	0.6
123.08178	44.4
124.08545	1.0
125.09750	5.1
128.03552	0.7
137.09744	8.4
139.11308	68.3
140.11621	2.7
149.09698	0.8
151.11311	10.4
152.08502	0.7
153.09209	0.9
167.10760	2.2
169.12367	6.7
183.13911	0.9
185.11818	1.0
189.34389	0.6
197.99232	1.4
201.61671	0.7
204.01204	0.6
213.01413	1.0
213.11328	100.0
213.14821	2.4
214.11736	3.2
223.54671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1135
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03473	0.5
57.85353	0.4
66.65520	0.4
69.03488	0.8
69.19118	2.1
69.19545	1.8
86.86240	0.4
93.73876	0.4
95.05112	0.4
95.28279	0.4
97.02958	0.5
97.06631	1.1
98.20656	1.0
151.11292	12.2
169.12358	100.0
170.12694	3.2
176.83395	0.5
186.06886	0.7
195.10286	0.8
197.99135	0.6
213.05650	0.7
213.09331	1.3
213.11317	16.5
213.14920	2.1
213.18536	0.5
214.11699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1247
Annotation	(4R,5R)-dethiobiotin
Peak:m/z	Relative Intensity
50.31372	0.6
52.04035	0.6
55.28107	0.6
58.02986	1.7
63.26736	0.6
70.24881	2.7
72.00896	3.3
74.02481	7.4
82.03000	6.5
84.04547	7.2
86.02485	4.5
98.02493	0.9
99.99662	0.7
101.07217	4.0
126.09226	1.9
127.05155	7.2
128.03555	83.6
129.03865	1.5
138.09236	3.0
139.08743	1.3
167.11897	1.8
169.13464	11.4
195.11392	21.1
196.11691	1.0
213.12466	100.0
214.12729	3.7
216.88231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1246
Annotation	(4R,5R)-dethiobiotin
Peak:m/z	Relative Intensity
58.02975	1.8
69.79739	5.0
69.80041	1.2
72.00908	2.5
74.02064	1.3
74.02467	8.4
82.03001	5.3
82.34826	0.8
84.04552	5.7
86.02502	4.7
96.35896	0.9
100.57349	0.9
101.07218	4.4
126.09261	1.8
127.05157	8.4
128.03558	79.5
138.09264	1.8
161.22237	0.9
167.11909	2.0
169.13463	12.4
180.77176	0.9
195.11417	22.5
213.12477	100.0
214.12862	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	2.9
62.78611	0.7
70.24680	1.4
70.25070	1.8
72.00913	5.1
74.02480	14.1
82.02991	9.3
84.04556	10.4
85.02982	0.9
86.02479	7.0
101.07211	6.8
111.03226	1.0
126.09227	3.6
127.05141	9.4
128.03554	97.5
129.03914	1.1
133.77580	0.7
138.09250	3.3
139.08833	1.5
148.53279	0.7
164.38205	0.7
165.10390	0.9
167.11942	2.4
169.13492	15.3
179.41304	0.7
195.11407	22.7
196.11839	0.9
213.12471	100.0
214.12811	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	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01368	0.4
68.01574	0.2
68.32247	0.2
70.08115	1.0
90.12298	0.2
97.78117	0.3
110.38935	0.3
115.54926	0.3
130.87045	0.3
137.28738	0.2
148.52737	0.2
162.60950	0.3
165.12840	0.3
177.12898	0.5
183.13927	29.8
184.14226	1.4
186.06915	0.3
195.13928	25.9
196.14262	0.8
211.13373	0.9
213.14986	100.0
214.15323	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	214.1087
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
54.65038	0.3
57.03450	0.7
59.95063	0.3
69.79086	0.9
69.79501	0.9
71.01447	0.3
72.04552	2.6
82.03013	1.3
83.01387	0.9
85.02984	0.4
93.63564	0.3
100.04079	0.4
112.23444	0.4
130.08751	100.0
131.09081	2.3
140.10828	0.4
142.12379	13.4
144.00905	0.8
152.10847	0.6
168.10330	2.1
170.11856	4.0
171.10307	3.6
176.59457	0.3
214.10863	34.7
215.01013	6.5
215.07451	0.5
215.09241	2.6
215.11183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1088
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
55.01865	2.5
57.03453	4.2
59.01379	0.8
59.98463	0.8
64.45735	0.8
67.01895	1.8
69.69294	2.1
69.69707	2.5
71.01395	1.5
72.04557	32.5
72.99299	1.3
82.02991	7.0
82.06644	1.0
83.01401	8.3
85.02962	32.7
86.03304	1.5
89.02490	0.7
98.19972	1.2
100.04083	4.4
101.02454	17.1
103.38894	0.8
111.03271	1.6
128.03616	1.4
129.01961	75.1
130.02315	1.5
130.08743	2.1
138.09280	6.2
140.10838	29.4
144.00845	2.0
144.82181	0.8
152.10834	1.9
166.08740	1.7
168.10318	81.7
169.10651	2.5
189.35956	1.0
196.09804	7.5
214.10869	100.0
215.00993	17.7
215.11227	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	214.1086
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
59.01401	0.3
71.53410	0.4
72.04550	2.5
82.02993	1.3
82.55544	0.3
83.01412	0.7
85.02940	0.5
100.04076	0.6
130.08752	100.0
131.09131	1.6
140.10834	0.6
142.12384	15.0
143.10876	0.3
143.12762	0.4
144.00935	1.0
152.10826	0.5
168.10333	2.7
170.11867	3.7
171.10297	2.7
171.42120	0.3
180.61043	0.3
186.57126	0.4
214.10873	31.5
215.00998	5.1
215.07338	0.5
215.09233	1.9
215.11160	0.9
228.51929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0715
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
60.07398	0.2
69.64995	1.1
75.02866	0.2
87.00878	0.4
97.02953	0.3
111.04635	0.2
130.92833	0.2
144.00911	1.5
153.12852	3.2
154.13307	0.2
171.01968	0.3
171.08180	0.3
172.05301	3.4
184.38026	0.2
187.07651	0.6
197.11841	4.0
200.04802	30.5
201.05122	1.2
207.71759	0.2
215.01085	9.9
215.07135	100.0
215.12787	6.7
216.01260	0.4
216.07501	4.6
224.10388	0.2
232.03767	10.7
233.04146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
50.82633	0.9
51.67487	0.8
57.03457	1.2
59.01386	2.4
60.21251	0.8
65.00327	1.1
71.01366	1.4
71.40121	1.1
71.54143	1.1
76.25246	0.8
97.02946	2.3
97.06620	1.4
116.24864	0.9
125.09739	8.2
127.11320	3.2
130.08745	13.1
131.09106	20.1
142.12469	1.0
143.10818	6.4
143.12675	4.3
144.00906	8.8
153.09253	3.7
154.08820	1.1
171.01944	1.7
171.10286	100.0
171.46420	0.9
172.10617	3.8
200.04851	1.6
215.01012	58.7
215.03346	2.9
215.07211	4.4
215.09271	73.0
215.11220	11.9
216.01375	2.9
216.09634	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	215.129
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03438	0.3
59.01369	0.4
61.76646	0.3
69.40952	1.8
71.01382	1.1
71.05044	0.7
72.02163	0.8
73.02969	0.7
76.33044	0.2
79.31514	0.3
83.05050	0.3
87.04519	0.4
92.75451	0.2
97.06583	0.4
108.48217	0.3
123.08186	0.3
125.09727	2.2
127.11298	3.2
131.94337	0.3
137.09698	0.4
141.09230	0.4
141.12880	1.1
142.65981	0.3
143.10783	0.9
144.00856	0.4
151.11267	0.6
153.09300	0.4
153.12807	0.4
155.10754	1.3
169.12311	1.0
171.04488	0.5
171.10291	13.4
172.10583	0.6
179.10791	1.9
185.11844	1.7
195.10263	0.5
197.11845	5.1
198.12164	0.4
200.04805	0.4
213.09315	0.3
213.11333	5.5
215.00992	6.0
215.12891	100.0
216.01207	0.3
216.13231	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	215.1653
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
54.39805	0.3
61.29072	0.3
88.87598	0.3
111.88495	0.3
112.13956	0.3
139.11293	0.3
144.00922	0.9
169.15979	4.5
171.02000	0.3
197.15469	1.9
200.04797	0.5
213.14932	0.6
215.01004	6.5
215.07161	2.4
215.16527	100.0
216.01297	0.3
216.16844	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	217.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	6.6
59.01385	52.0
70.24386	6.1
71.01365	2.7
71.05037	15.4
77.89600	2.2
79.90253	2.2
80.02755	3.2
81.03432	3.2
83.05026	8.3
87.00888	62.3
88.04056	12.9
88.97060	6.5
95.05042	21.5
96.96042	7.7
99.04532	95.6
101.04309	21.7
102.98598	5.3
111.04534	21.7
117.03815	37.3
127.04032	100.0
128.04349	2.8
130.08723	4.5
130.93710	2.2
139.04021	39.2
145.03310	58.3
146.08231	6.5
171.01204	5.4
172.09778	2.6
173.02838	14.1
173.04268	3.4
174.99252	13.7
187.10847	6.6
217.00233	9.9
217.02072	18.3
218.10312	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	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
52.85072	0.4
59.01383	12.7
59.81730	0.4
64.44158	0.5
64.55257	0.4
70.99500	1.1
83.03009	0.4
83.05076	0.5
97.62653	0.5
109.06578	0.5
125.09727	1.7
127.11286	3.1
137.09747	3.2
145.03006	0.8
153.09218	1.1
155.10796	40.3
156.11125	1.6
161.44377	0.4
164.94473	0.4
171.10283	53.7
172.10605	2.6
173.06042	0.6
174.99211	3.4
199.09756	7.0
202.02872	0.5
204.55795	0.4
217.00099	2.3
217.04738	2.0
217.10822	100.0
218.11110	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	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.03272	0.5
57.23779	0.5
59.01376	2.4
60.56687	0.6
70.77281	1.1
70.77631	0.5
71.01390	12.3
71.05027	20.3
71.52084	0.5
72.00907	1.1
72.05376	0.6
88.04048	100.0
89.04376	1.1
97.70020	0.6
99.04525	5.8
116.03520	0.5
116.07168	3.4
129.05589	1.0
146.08249	49.4
147.08582	0.7
177.27054	0.6
218.10342	23.1
219.10634	0.7
219.17534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0777
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
57.71612	0.9
59.01388	7.9
59.70758	0.8
61.98842	8.6
62.35896	1.0
66.62193	1.0
71.01394	1.6
71.52879	1.2
72.00924	13.1
74.02483	39.3
74.28291	1.1
75.00880	2.2
79.95736	2.5
83.05043	1.1
85.06606	3.3
86.02483	6.0
90.85542	1.1
90.98607	19.9
90.99154	1.8
92.05135	1.1
96.96051	4.5
98.95628	4.8
101.15943	1.1
105.00162	1.9
106.48917	1.0
107.05112	2.3
113.04324	2.0
115.02255	1.3
116.05099	2.4
118.06634	5.6
127.04041	21.7
130.06693	1.7
131.03815	3.2
132.04578	100.0
133.04950	3.0
144.04573	61.3
145.04962	2.2
147.04605	1.7
151.13992	0.9
157.03383	2.6
157.07733	26.1
158.06126	9.9
158.08104	1.3
159.04626	2.2
160.05330	5.0
163.60950	1.1
175.04062	2.4
175.07550	1.6
175.08839	18.5
176.07141	1.5
176.09042	1.0
181.26746	0.9
201.06871	5.5
202.05164	1.5
204.04340	3.6
206.69341	0.9
219.03304	6.7
219.07840	82.1
219.14398	2.1
219.17543	29.9
219.84837	1.4
220.08153	4.9
220.17969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0094
Annotation	Mompain
Peak:m/z	Relative Intensity
50.28182	1.2
59.01386	32.0
61.79885	1.1
61.98867	1.2
62.56605	1.2
63.02405	5.8
65.00321	5.3
66.05753	1.0
67.01891	1.6
68.99813	1.4
71.01392	8.2
71.12199	2.5
71.74711	1.1
72.99326	1.6
73.02961	4.7
75.00880	1.9
83.01396	2.7
85.02959	3.4
87.00896	1.7
89.02477	1.9
89.03987	11.8
89.34853	1.0
91.01894	9.2
93.03475	1.4
95.05045	2.3
101.02445	5.4
105.03474	3.8
107.01377	6.1
109.02988	7.4
113.02465	4.4
120.99689	3.3
121.02984	3.5
123.04546	4.3
131.05057	1.4
132.02174	1.4
133.02975	25.3
134.03807	5.5
135.00899	19.3
137.24083	1.1
147.04512	1.8
149.02472	5.8
149.06017	1.6
151.00369	7.0
162.03255	3.3
165.01904	1.6
177.01947	100.0
177.05482	8.1
178.02325	2.5
178.98430	1.3
179.10959	1.1
190.99908	2.6
193.01503	1.4
203.10847	1.8
204.03030	1.8
206.02219	14.5
206.05925	2.3
206.09380	2.2
221.00948	67.9
221.04312	12.8
221.08168	1.8
221.11897	7.4
222.01297	3.2
243.45135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0669
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
55.47010	3.1
58.00598	3.9
59.01385	100.0
61.06131	3.1
71.01390	41.6
73.02952	49.2
83.01391	10.2
85.02962	10.0
89.02434	4.2
101.02443	22.6
113.02453	24.7
131.03532	3.6
177.05623	3.9
188.71185	3.0
200.42372	3.3
203.58076	3.3
221.04582	3.4
221.11699	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	221.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94310	0.3
59.01388	3.6
69.94895	0.3
70.74030	0.3
70.91544	0.6
71.01402	0.7
73.02955	0.4
79.25157	0.3
85.02973	0.4
85.61719	0.2
87.00893	0.6
87.02758	2.3
89.69044	0.3
93.38773	0.3
101.02446	0.3
102.14006	0.3
105.03504	0.3
107.31950	0.3
113.02490	0.6
114.90828	0.4
119.05140	0.4
131.05348	1.7
133.06946	100.0
134.07286	2.5
149.06126	0.4
161.04478	0.4
161.09792	0.4
163.04044	0.4
177.05579	0.7
178.80246	0.3
183.64668	0.4
190.02737	1.4
190.99889	0.7
191.01794	0.3
191.03528	5.3
192.55199	0.3
200.75746	0.3
203.10832	0.3
206.02242	0.5
221.04648	5.8
221.08527	16.7
221.11917	1.2
222.08929	0.7
238.46429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
53.00964	0.2
53.19156	0.1
53.56914	0.1
59.01390	0.9
68.08630	0.1
71.13815	0.4
73.56871	0.1
86.55126	0.2
102.73917	0.1
105.47969	0.1
127.07658	0.6
148.05283	0.4
149.06050	0.6
151.07658	0.3
164.08427	2.4
165.09178	0.3
196.07445	0.2
205.12379	1.9
206.12695	0.7
207.13931	1.1
220.14700	4.2
221.15468	100.0
222.15804	5.1
235.13412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34149	0.5
55.01883	5.8
56.11871	0.5
57.03453	19.5
58.00593	0.9
58.03799	0.7
59.01109	1.0
59.01384	12.2
67.01909	1.0
68.99804	1.4
69.03455	0.9
71.01386	15.3
71.52563	0.7
71.52995	0.7
72.99313	13.3
73.02935	3.3
75.00879	6.8
78.95910	4.3
79.02206	0.6
81.03454	3.9
83.01392	11.6
84.02172	2.4
85.02959	100.0
86.03297	1.4
87.00880	6.6
88.01637	0.7
89.02454	0.7
92.95980	3.4
97.02958	1.0
99.00890	4.9
101.02453	13.9
103.00368	1.6
103.04005	1.0
110.92624	3.4
111.00893	44.8
113.02477	1.6
117.01960	0.7
118.97572	0.6
125.02465	9.0
128.89246	1.5
129.01956	37.9
130.02263	1.4
132.95515	3.2
132.99113	1.0
133.65291	0.6
143.03523	2.5
144.95505	7.5
147.03015	10.3
152.91766	0.7
156.95477	0.7
159.02936	0.9
161.04530	3.3
173.00890	0.9
174.96533	4.6
187.02496	3.2
204.97591	1.6
205.03539	45.0
206.03889	1.5
222.98666	3.1
223.04599	52.2
224.04868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.2
57.03449	19.6
58.72023	1.3
59.01380	14.7
62.06176	1.2
66.03488	2.7
71.01391	15.1
71.19270	2.7
72.99301	9.6
73.01174	4.5
73.02956	4.2
74.99113	4.4
75.00871	6.9
78.90829	1.2
80.05058	7.3
81.02209	15.5
81.35453	1.3
82.02975	2.1
83.01405	12.7
85.02958	100.0
86.03308	1.8
87.00881	11.5
87.02730	1.7
89.00700	1.9
91.02238	6.9
98.02480	13.7
99.00900	3.2
101.02458	15.5
103.04003	1.8
108.08226	2.2
109.64851	1.5
111.00892	48.9
112.98834	2.8
117.03852	1.7
120.99664	5.2
121.05355	2.7
122.03318	1.6
124.04036	2.8
125.02409	6.7
125.06197	1.3
129.01958	30.1
133.03329	1.6
134.06134	12.9
135.01218	9.7
135.04880	26.6
136.07703	21.8
136.99152	2.4
143.03513	2.8
147.03035	9.5
152.07185	15.3
155.15926	1.7
162.05624	19.0
180.06656	4.6
187.02437	2.2
193.01494	1.6
196.06210	9.1
205.03540	44.1
208.03862	1.7
223.02834	3.5
223.04610	37.9
223.06483	4.8
224.05431	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.0
56.26118	1.5
57.03457	20.1
57.53344	1.3
59.01386	11.6
67.01863	1.3
70.95200	2.9
71.01387	14.0
71.06464	1.3
72.99326	7.2
73.02941	2.2
74.99129	3.2
75.00880	7.9
80.05043	1.8
81.02225	2.1
83.01392	11.4
84.02191	2.7
85.02959	100.0
87.00899	5.4
91.02237	2.0
95.29503	1.4
99.00893	1.9
101.02444	12.6
103.07149	1.4
111.00896	48.5
111.01688	2.6
112.01270	2.2
112.98822	1.8
125.02461	5.9
129.01959	35.3
135.01250	4.8
135.04837	2.2
136.07651	2.9
136.99141	2.2
143.03532	1.3
147.03023	8.0
152.07170	3.0
159.18997	1.3
161.04582	2.1
162.05632	2.6
187.02509	3.0
187.25861	1.4
193.01521	1.3
205.03554	39.4
214.18463	1.3
223.02773	1.4
223.04591	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	223.0615
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
51.54618	0.7
56.45479	0.7
56.78076	0.7
57.03355	1.0
59.01251	3.3
59.01574	1.7
67.01803	1.1
71.53613	0.8
72.99218	1.0
79.43464	0.7
79.95630	1.1
83.01311	1.3
84.04432	0.7
85.02824	4.9
87.00780	1.2
93.03329	13.3
93.03958	1.2
95.01303	1.7
96.95930	1.0
101.02309	2.0
107.01255	0.8
107.04941	1.2
109.02860	1.6
111.00802	1.4
113.02386	0.7
120.30499	0.7
121.02965	23.3
122.99158	1.6
123.00799	1.4
123.04379	0.8
125.02470	6.0
129.01817	3.1
134.03743	0.8
135.04546	12.3
136.01561	1.8
136.07591	3.1
137.02332	3.2
146.04900	0.8
149.02454	54.0
150.02725	1.4
151.00313	1.9
151.04045	5.6
152.01163	16.8
153.01466	0.9
162.05522	1.3
163.02806	0.8
163.04031	15.2
164.04802	30.0
165.00601	1.0
165.01935	15.5
167.03531	3.6
169.05096	9.3
179.03548	4.8
179.07057	12.3
179.08328	1.7
179.10669	0.9
180.04152	0.9
193.01434	71.1
194.01717	2.7
205.03484	2.0
207.03053	0.8
208.03778	100.0
209.04082	4.5
223.02646	3.5
223.06178	50.7
223.13455	1.0
224.06458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1343
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.79768	1.1
57.03449	2.3
59.01383	9.5
69.03457	10.0
70.99380	3.0
71.05012	2.5
79.05123	1.0
95.05003	1.3
109.06625	1.9
125.09761	1.9
126.08782	1.1
141.09184	1.5
149.09654	1.9
161.13365	1.8
165.01859	1.3
166.06352	1.5
167.10814	12.7
177.12971	2.1
179.10750	5.2
179.14427	11.8
193.01440	2.7
195.13924	30.4
196.14294	1.3
205.12343	20.7
208.03792	4.1
223.02762	3.2
223.13402	100.0
224.13702	4.9
229.06586	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	225.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.4
65.00307	1.0
67.01897	1.4
71.01397	1.4
71.16150	1.9
71.34435	0.8
80.05083	1.3
81.02216	2.6
82.02525	1.9
82.02984	9.2
84.04600	1.5
85.02973	2.0
87.00886	1.4
89.00332	4.5
91.01899	2.6
93.03463	1.9
95.01395	2.2
95.05026	1.0
96.04553	1.5
96.95997	1.1
98.02486	2.6
106.00634	4.3
109.02950	1.1
111.00906	1.9
111.03284	2.4
121.02972	51.8
122.03203	1.3
123.00899	44.1
123.04533	1.6
124.01740	5.2
125.02481	2.6
135.06493	1.7
136.07687	1.5
137.02504	3.1
137.04453	6.3
137.08051	2.6
138.03246	69.1
138.09209	4.4
139.04051	5.9
151.00388	18.3
153.05588	100.0
154.05981	3.9
154.08728	3.2
163.04013	1.2
163.05998	2.9
163.08763	1.2
164.07237	0.8
165.01971	2.3
166.02716	8.4
167.03531	0.9
179.98224	1.0
180.04237	1.5
180.35303	0.9
181.05089	1.1
181.09848	13.6
182.08243	2.6
183.11430	1.6
195.03003	4.9
195.06647	1.0
197.04536	2.5
198.07767	4.3
207.07910	1.3
207.10228	1.1
210.01738	1.4
210.05357	3.0
225.00385	1.1
225.04073	3.2
225.05942	1.8
225.09114	1.4
225.11388	4.2
225.14830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70928	0.9
56.62120	1.0
59.01387	16.6
69.63507	4.8
69.63929	1.6
75.39043	0.9
78.03467	1.0
83.97728	1.0
93.03447	1.2
98.19955	1.3
109.02989	2.3
122.02493	9.1
137.01474	1.9
137.02463	27.6
151.03952	1.3
157.86954	1.3
165.01955	100.0
166.02263	2.7
179.03424	1.7
180.04309	98.4
181.04622	2.8
195.03015	34.6
195.06654	90.8
196.03322	1.7
196.06999	4.4
210.05367	49.3
211.05739	1.9
223.63794	1.0
225.07701	37.9
225.11145	1.8
234.00043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89729	0.6
57.03450	1.2
59.01380	9.8
63.76123	0.6
64.19891	0.6
65.88869	0.6
69.03458	1.0
69.38135	5.0
71.01372	2.1
71.05043	0.9
73.02935	1.8
80.02690	1.0
81.03452	1.8
83.05030	2.6
85.02950	1.4
93.03471	2.9
95.01405	2.5
95.05033	9.0
97.02950	4.6
97.06602	2.2
97.34124	0.6
99.04513	2.6
102.98636	0.6
106.04245	1.6
108.02129	0.7
109.02951	1.8
109.06609	9.7
110.03738	5.7
111.04517	2.0
121.06596	1.5
135.08176	2.6
137.02423	2.2
137.09734	0.8
137.95187	0.7
145.10211	0.9
151.03894	0.6
151.11346	1.5
153.09212	1.1
153.12848	1.3
161.09731	3.1
163.11293	16.6
165.01958	3.3
169.12331	2.1
179.10788	3.4
180.04292	2.6
181.12367	5.8
189.09253	7.2
195.02950	2.3
195.06586	3.2
197.11832	2.7
206.99405	0.7
207.10274	42.5
208.10622	2.2
210.05368	2.7
225.11336	100.0
226.11655	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	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01385	100.0
60.01708	0.9
69.39562	3.6
69.39905	0.5
70.31259	0.4
81.03458	0.8
90.52731	0.5
95.05044	0.8
97.06586	3.8
98.19938	0.8
113.52235	0.4
115.43943	0.5
135.08176	1.9
147.08170	3.7
151.11264	0.9
163.11288	0.5
165.09196	1.8
181.12317	0.9
194.93704	0.5
207.10327	0.8
210.05399	0.7
225.11345	28.6
226.11674	1.7
226.57596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Chloriolide
Peak:m/z	Relative Intensity
54.89729	0.6
57.03450	1.2
59.01380	9.8
63.76123	0.6
64.19891	0.6
65.88869	0.6
69.03458	1.0
69.38135	5.0
71.01372	2.1
71.05043	0.9
73.02935	1.8
80.02690	1.0
81.03452	1.8
83.05030	2.6
85.02950	1.4
93.03471	2.9
95.01405	2.5
95.05033	9.0
97.02950	4.6
97.06602	2.2
97.34124	0.6
99.04513	2.6
102.98636	0.6
106.04245	1.6
108.02129	0.7
109.02951	1.8
109.06609	9.7
110.03738	5.7
111.04517	2.0
121.06596	1.5
135.08176	2.6
137.02423	2.2
137.09734	0.8
137.95187	0.7
145.10211	0.9
151.03894	0.6
151.11346	1.5
153.09212	1.1
153.12848	1.3
161.09731	3.1
163.11293	16.6
165.01958	3.3
169.12331	2.1
179.10788	3.4
180.04292	2.6
181.12367	5.8
189.09253	7.2
195.02950	2.3
195.06586	3.2
197.11832	2.7
206.99405	0.7
207.10274	42.5
208.10622	2.2
210.05368	2.7
225.11336	100.0
226.11655	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30490	0.6
59.01383	3.7
67.36237	0.6
67.57005	0.6
69.03468	1.1
71.33611	0.5
71.48586	0.7
81.03477	0.7
93.03478	0.9
97.02954	12.2
99.00903	3.3
109.02962	0.7
109.06611	6.1
110.03771	5.5
111.04491	0.7
121.06631	0.8
123.04512	1.1
123.49168	0.6
125.09705	1.1
135.08167	1.7
136.05309	2.7
142.02734	4.6
142.93706	0.7
145.10246	0.8
161.09637	0.9
163.11302	11.2
164.11755	0.7
179.10786	1.2
181.12363	27.5
182.12633	1.3
197.11887	1.0
207.10275	74.7
208.10611	3.7
225.11340	100.0
226.11610	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79557	0.7
55.01897	0.6
59.01386	17.8
62.95818	0.8
65.00362	1.4
65.84035	0.8
69.03497	0.8
71.05047	1.6
73.02970	0.8
80.02698	1.6
81.03455	5.5
83.05042	4.8
84.02206	3.0
88.62014	0.7
93.03480	3.9
95.05057	1.2
97.02955	12.1
97.03481	0.9
97.06627	1.2
98.20691	1.8
99.00925	1.4
107.05074	1.5
109.02991	1.3
109.06602	45.5
110.03735	6.0
111.04599	0.8
113.67033	0.7
114.56300	0.7
121.06627	3.0
135.08194	6.4
136.05354	3.0
136.98814	1.5
137.02504	1.7
137.06050	1.1
142.02747	6.6
145.10219	0.9
151.11375	0.8
161.09760	3.1
163.11316	25.9
164.11690	1.4
165.01897	1.8
165.09172	1.1
177.63393	0.7
179.10803	1.2
180.04384	2.1
181.12363	20.5
182.12633	0.7
189.09236	1.4
195.03018	3.5
195.06619	1.8
197.11885	1.6
207.10283	100.0
208.10539	3.8
210.05402	2.2
225.00285	0.9
225.11337	90.0
226.11655	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	225.161
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
53.69159	0.4
54.19762	0.5
58.49978	0.5
59.01390	4.0
70.81470	1.3
73.26038	0.5
80.05058	0.9
81.03468	15.1
83.05034	86.7
84.05354	1.3
93.03450	1.0
96.96021	0.7
108.04522	0.5
109.02999	0.6
109.06639	0.5
113.48332	0.5
123.04513	0.5
125.07175	2.8
137.02429	1.3
143.08257	2.9
150.03146	0.8
165.01959	1.4
180.04204	1.2
195.02986	1.9
195.06670	1.2
197.74315	0.5
207.10439	0.8
207.13181	0.8
207.15031	12.0
210.05347	2.1
225.04132	1.1
225.07655	1.4
225.11618	2.5
225.16101	100.0
226.16466	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	227.104
Annotation	H-Pro-Hyp-OH
Peak:m/z	Relative Intensity
52.71790	0.7
58.02976	2.1
63.79604	0.8
70.02982	3.8
71.01387	2.2
71.05043	1.0
71.17521	1.7
71.17850	0.8
72.04544	0.7
72.99330	0.8
81.90150	0.7
82.02991	36.8
83.01399	0.9
84.00912	0.9
84.04573	4.3
85.02948	0.7
95.89354	0.7
96.04552	1.8
98.02476	3.2
98.06128	4.3
99.00874	1.2
100.04067	2.0
100.07690	1.9
110.02474	1.7
111.00882	2.4
111.03266	2.4
112.04054	11.2
112.07705	2.5
112.98827	3.6
116.07188	16.0
121.02958	1.4
122.04848	2.9
124.02769	0.9
126.09196	0.9
127.05167	5.3
127.08783	22.2
128.03545	8.6
128.10780	0.8
135.67680	0.7
136.01672	1.3
137.07202	3.9
139.07823	1.3
139.08763	6.7
140.07135	1.1
140.10846	1.3
150.03215	1.0
151.04022	1.7
153.01971	0.7
154.07462	2.0
155.08263	2.4
155.11917	2.1
165.08998	1.1
165.10342	16.4
166.08807	1.3
183.11397	100.0
183.14009	2.6
184.10016	0.7
184.11743	3.8
209.09331	37.7
209.11578	1.7
210.07726	1.8
210.09648	1.7
227.10394	81.3
227.20154	2.6
228.01910	0.8
228.08757	1.8
228.10715	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	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.44497	0.3
55.01857	0.3
59.01387	0.4
65.90662	0.4
69.29273	2.2
69.29679	0.6
71.05045	0.5
73.02966	0.3
80.02671	2.8
81.03457	1.8
83.01374	0.4
83.05033	7.8
84.02166	3.3
95.05025	1.5
109.06612	0.7
125.06082	1.0
125.09733	0.6
135.08162	0.9
139.11331	1.7
147.65334	0.3
148.17941	0.4
152.10834	0.4
163.11317	5.5
164.11664	0.5
165.12869	4.4
181.12386	0.9
183.13914	1.3
191.10803	1.9
199.13397	2.1
209.11850	100.0
210.12183	4.5
227.03629	0.7
227.07179	1.5
227.12900	5.9
227.20160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.88468	0.3
57.03448	0.5
57.94196	0.3
65.72321	0.3
66.17548	0.3
69.03460	0.4
72.90154	0.3
83.05058	1.2
84.02178	0.6
111.08160	1.2
136.62834	0.3
137.02519	0.3
139.11313	0.3
163.11334	1.0
165.12863	20.1
166.01488	0.3
166.13176	0.9
169.42583	0.3
171.04498	0.7
173.67685	0.4
181.12350	0.7
183.13916	100.0
184.14262	4.6
191.10901	0.4
199.04042	0.8
199.13306	0.4
209.11844	13.9
210.12242	1.0
227.03535	0.9
227.07158	1.1
227.12906	20.4
227.20107	2.2
228.13258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03421	0.4
59.01388	0.7
69.39268	3.2
71.05026	0.7
73.02953	0.4
78.51894	0.3
80.02673	1.9
81.03442	2.2
83.01412	0.5
83.05032	7.1
84.02185	3.8
95.05026	1.1
97.06585	0.7
98.19886	0.5
125.06061	0.8
125.09715	0.4
135.08163	1.1
147.11810	0.4
149.65204	0.4
163.11310	5.7
165.12833	4.6
181.12395	1.1
183.13969	0.9
184.05278	1.4
191.10800	1.4
198.27158	0.4
199.04041	1.1
199.07695	0.4
200.04756	0.3
209.11842	100.0
210.12224	4.0
212.04788	2.7
227.03578	2.7
227.07204	2.4
227.12874	3.6
227.20201	0.6
235.73169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18977	0.3
69.38597	3.1
69.38939	0.6
71.05037	0.4
72.32634	0.3
80.02695	1.9
81.03477	1.8
83.04574	0.7
83.05034	8.0
84.02171	3.8
88.05887	0.4
90.32618	0.3
93.38196	0.4
95.05036	1.2
95.14946	0.3
97.06584	0.6
109.06621	0.4
112.48096	0.3
113.06107	0.4
115.71207	0.4
125.06072	0.7
125.09709	0.5
130.30812	0.4
135.08182	1.4
155.14444	0.6
163.11301	6.1
165.11835	0.4
165.12888	3.8
181.12343	1.4
191.10727	1.4
209.11844	100.0
210.12189	4.8
227.12909	2.3
249.74672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
69.76123	2.4
76.99932	0.5
80.02683	2.3
81.03470	1.9
82.93311	0.4
83.05031	7.4
84.02161	3.9
95.05022	1.1
97.12205	0.4
125.06089	0.7
135.08162	1.2
163.11325	5.3
165.12883	4.1
181.12283	1.3
183.18570	0.5
191.10710	1.5
209.11838	100.0
210.12186	4.7
227.12901	2.5
237.51582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03444	0.5
57.10335	0.3
63.43408	0.3
69.03484	0.4
69.54440	2.0
73.45062	0.3
80.96288	0.3
83.05032	0.8
92.15137	0.3
95.05080	0.4
111.08168	1.2
119.16696	0.3
161.33484	0.3
165.12859	19.0
166.13104	0.6
183.13910	100.0
184.14308	3.9
209.11850	7.2
210.11934	0.3
227.03612	0.5
227.07159	0.7
227.12898	16.6
227.20203	0.9
228.13197	1.1
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
51.41659	0.5
53.53078	0.6
56.24161	0.7
57.03451	1.5
59.01386	14.9
62.48946	0.6
65.05310	0.7
71.54568	1.1
74.18906	0.6
83.05016	0.7
85.02975	1.2
97.06576	0.8
125.09735	4.8
127.11320	4.7
128.89032	0.7
136.24164	0.7
155.14461	2.0
167.14433	2.0
171.10220	1.0
172.61383	0.7
180.95322	0.6
183.14032	0.6
201.11238	0.7
209.11778	1.7
211.13474	3.1
229.01218	0.9
229.08630	3.5
229.14462	100.0
230.14795	5.1
242.53728	0.6
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	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.59159	0.4
57.03442	1.1
62.22092	0.4
73.02942	1.0
74.68163	0.3
83.05012	0.5
84.02164	0.6
85.02985	0.5
98.19892	1.5
123.08263	0.4
125.09743	2.2
127.11298	4.3
155.14398	0.5
165.12868	0.9
167.14400	2.3
171.10262	3.2
183.13835	1.8
193.12364	0.9
209.11859	3.0
211.11514	0.6
211.13429	10.9
212.13727	0.5
229.14458	100.0
230.14807	4.7
230.21664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03438	0.9
59.08718	0.4
71.54276	0.5
77.49815	0.4
114.73481	0.4
139.11243	0.5
165.12820	0.8
167.14435	42.2
168.14764	1.5
185.15439	1.4
206.08072	0.4
211.13414	61.2
212.13774	2.5
229.14462	100.0
230.14804	4.7
230.16901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90732	2.4
72.04533	2.6
73.01182	8.8
73.04068	1.9
73.32664	1.2
77.81303	1.0
80.05057	2.8
82.02998	10.5
85.02953	1.2
96.04564	30.8
96.96040	1.3
98.02496	1.9
98.99074	5.1
102.05590	1.2
108.04570	25.8
114.00204	87.5
127.02752	1.0
128.03548	7.8
129.03847	4.6
130.08752	8.9
140.07091	1.5
141.05588	1.7
142.03329	100.0
143.03639	2.3
143.11905	3.8
146.04585	1.2
146.08240	3.3
184.09673	1.2
186.02315	35.1
186.07843	1.3
187.10916	10.4
200.11266	1.5
212.11325	1.4
230.01279	76.9
230.10260	6.5
230.12314	4.8
231.01527	2.5
231.13681	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	230.1399
Annotation	isobutyryl carnitine
Peak:m/z	Relative Intensity
50.60799	0.4
52.44803	0.4
63.46835	0.4
70.54587	0.4
70.54946	1.2
71.05027	20.9
71.91571	0.4
91.26803	0.4
99.04547	1.0
101.06081	0.7
114.09267	3.7
115.73976	0.4
116.07176	1.0
130.08748	32.4
131.09105	0.5
168.13936	1.3
170.88348	0.6
173.80862	0.3
177.58078	0.4
184.13457	0.8
186.15012	15.6
194.11838	0.7
196.20757	0.4
212.13033	0.5
230.13977	100.0
231.14310	3.9
231.17502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98608	1.5
70.99189	2.6
71.05025	13.0
80.02685	4.3
81.03433	2.0
85.06600	27.0
87.00883	52.7
95.05029	2.1
97.06606	6.4
102.98602	11.1
107.05022	2.0
109.06593	11.9
113.06097	100.0
114.06404	3.1
115.05875	9.5
125.06094	23.2
131.05368	35.5
141.05588	82.4
142.05898	2.0
153.05600	25.4
159.04863	64.6
167.85797	1.7
185.02820	2.6
187.04358	16.7
231.03349	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	231.1238
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
51.56929	0.6
57.03448	1.6
58.00595	2.7
59.01389	3.3
61.71652	0.6
71.01390	0.6
72.33340	0.6
73.02961	2.5
83.05055	0.7
87.00849	0.6
97.06596	0.9
100.42363	0.6
107.39120	0.7
123.08211	1.3
125.09748	7.7
127.11291	5.9
137.09718	1.5
139.11250	1.9
141.09164	1.9
141.12860	1.2
147.08199	0.7
151.11279	2.8
153.09190	1.4
155.10799	2.6
157.12299	1.0
165.09250	3.0
167.10780	2.0
169.12323	1.6
171.10287	63.7
172.10628	1.9
177.09251	1.2
183.10295	0.8
185.11847	16.9
187.04048	0.9
187.07695	1.4
189.02000	0.8
195.10277	5.7
199.09808	1.9
199.15154	0.6
201.11340	68.4
202.06467	0.9
202.11700	2.6
213.11345	100.0
214.11636	4.7
229.62024	0.7
231.02850	3.7
231.10263	1.2
231.12195	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	231.1239
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
59.01382	16.2
70.94847	0.7
72.63631	0.6
72.99313	14.2
75.00877	53.3
109.03056	0.6
127.11310	1.7
134.03748	1.0
151.11288	1.7
152.03535	3.4
155.10728	0.8
159.04512	1.0
167.10727	1.7
169.12349	16.4
170.12714	0.8
171.10278	56.0
172.05354	0.6
172.10661	1.6
173.06009	0.7
187.07642	1.2
202.06346	0.8
203.03526	1.8
213.09390	1.1
213.11337	5.8
216.04291	1.1
231.02983	2.4
231.12373	100.0
231.16089	2.6
232.12743	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	232.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12039	1.2
59.01382	6.5
70.67194	3.1
71.01408	1.8
71.05029	10.6
72.99318	1.5
73.01162	7.4
74.99099	2.1
75.08118	1.2
78.41176	1.3
79.95728	1.9
83.05030	3.8
87.02752	30.1
88.04043	1.9
88.98807	4.1
89.00723	1.3
90.98615	8.0
93.03469	3.7
96.08233	1.3
96.96035	3.3
97.02962	3.9
98.02493	8.3
98.06111	2.3
98.09756	9.7
99.02739	3.8
99.33596	1.1
113.02471	15.7
116.07215	1.4
118.98089	7.3
125.02454	24.1
142.08749	18.4
143.01773	1.7
144.08548	100.0
145.08873	2.0
158.04593	1.4
173.04541	2.0
174.23985	1.2
188.07510	15.4
191.05583	1.5
205.01746	11.2
228.78197	1.3
232.02971	2.7
232.06508	55.8
233.01276	16.3
233.06694	2.2
233.10286	2.6
233.15482	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01385	29.4
60.99304	3.8
62.74788	1.4
64.84537	1.3
67.01894	2.7
71.01389	4.9
71.04647	2.6
71.05025	43.3
71.07984	2.6
72.99297	4.3
73.01183	9.3
73.47136	1.3
74.99099	3.7
75.00885	2.1
83.05026	11.3
85.02962	2.8
87.00891	3.4
87.02750	3.1
88.98813	14.7
89.02321	1.4
90.98606	34.0
93.03484	8.5
96.95998	10.7
97.02948	20.7
97.03519	2.2
98.09760	1.8
99.02739	9.7
101.02480	2.1
104.03539	4.7
109.02982	1.4
109.65766	1.5
111.04549	2.4
113.02461	54.8
115.02283	2.1
117.03794	7.3
118.98096	33.1
125.02454	82.8
125.06058	1.7
126.02757	2.0
127.02222	3.0
127.46453	1.3
139.04019	1.5
143.01733	5.7
144.08533	4.6
145.00829	1.6
145.06679	2.3
145.08891	10.2
146.08156	3.4
155.03439	1.7
161.02705	2.5
173.04547	9.0
189.01790	1.4
189.07895	2.1
205.01770	33.5
215.00194	7.0
215.09087	1.3
218.02174	1.6
233.01273	57.2
233.06464	8.1
233.10460	7.3
233.15472	100.0
234.01575	1.8
234.09846	3.5
234.15804	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	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88681	0.3
59.01389	1.3
59.96731	0.3
60.97523	0.3
63.57762	0.2
69.79616	0.2
71.01836	0.7
74.99077	8.3
75.96276	0.3
87.83404	0.2
90.59610	0.2
91.02225	1.2
92.28000	0.2
93.00131	2.2
118.96249	1.7
134.99428	7.6
136.65456	0.3
136.97330	1.9
141.07454	0.6
143.05385	1.0
149.00975	70.4
150.00908	3.1
150.98895	0.9
159.08504	1.8
161.06416	3.5
190.00990	0.2
201.04137	0.6
215.05659	1.4
217.07219	100.0
218.07379	6.1
233.10350	99.7
234.10512	6.5
246.00368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.15
Annotation	Huperzine W
Peak:m/z	Relative Intensity
56.93170	0.3
57.01603	0.2
59.01391	1.3
98.19927	0.8
149.97957	0.2
151.07683	0.3
163.00433	0.3
179.07085	0.8
190.99826	0.3
204.10364	0.4
207.13907	0.5
212.10651	0.3
218.11874	2.3
234.14996	100.0
235.06020	0.3
235.12961	0.3
235.15305	5.8
251.11646	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	235.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	10.7
57.03458	8.6
58.00581	1.9
59.01387	77.9
67.01883	1.8
69.03502	1.8
70.12773	8.1
71.01389	95.6
71.05009	2.2
72.99312	7.4
73.02956	40.1
73.06596	2.6
75.00880	2.2
83.01394	22.4
85.02960	53.1
85.03474	2.9
87.00887	5.1
89.02454	8.4
95.01405	7.8
99.00888	17.6
101.02458	100.0
109.93352	1.8
111.00827	2.3
113.02464	36.7
119.05042	54.6
120.05404	2.2
125.02390	2.8
129.01929	3.8
133.03015	2.0
147.04523	9.3
159.03056	3.9
161.02469	3.5
161.04567	17.7
163.04027	8.3
191.03444	7.4
223.22737	1.7
235.02504	2.1
235.06203	5.3
235.11777	15.0
235.15929	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	235.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.8
57.03447	3.5
59.01386	91.4
59.03388	3.0
67.82018	3.3
71.01018	4.9
71.01393	85.1
71.05025	4.5
71.53712	6.6
72.99314	9.6
73.02953	43.6
73.06591	4.1
75.37740	3.1
79.95782	3.6
81.69942	3.0
83.01402	21.9
85.02955	58.5
86.00075	3.5
87.00840	6.0
89.02449	4.0
93.07140	3.3
95.01389	5.0
96.96028	37.2
96.96632	5.0
98.00087	4.3
99.00901	19.0
99.85331	3.2
101.01802	5.6
101.02452	100.0
111.00861	5.2
113.02451	41.9
115.00380	9.4
119.05024	6.7
120.04556	22.5
121.02959	8.8
125.02551	3.1
129.01910	4.5
137.02425	6.8
138.06532	4.1
146.06055	3.5
147.04584	6.7
148.05315	5.4
159.03004	6.2
159.04323	3.8
161.02422	7.1
161.04596	16.7
174.05627	4.2
176.04739	7.3
187.04024	5.6
191.03484	4.9
191.07169	9.4
192.06657	7.6
202.10458	3.4
235.02588	4.9
235.06087	11.1
235.09828	9.1
235.11858	19.0
235.16003	5.8
236.05678	12.0
250.65872	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	235.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32889	1.2
55.01882	9.7
56.98044	27.5
57.03452	6.9
58.00603	4.6
59.01387	68.3
68.99834	1.3
69.03469	2.6
71.01388	84.7
71.05032	3.8
72.99313	8.7
73.02954	34.4
73.03369	2.0
73.06610	2.4
75.00883	2.5
82.65383	1.1
83.01395	22.6
85.01194	1.3
85.02956	48.7
86.00124	3.3
87.00878	7.3
89.02462	3.8
93.03468	12.9
95.01397	7.9
96.96021	1.3
97.02991	1.8
99.00888	12.8
101.02454	100.0
102.02790	1.3
108.02200	1.5
111.00899	3.4
113.02467	31.6
113.42257	1.1
115.04020	1.8
118.98105	17.0
119.05023	3.4
120.99604	1.1
129.00226	5.8
135.04553	2.3
137.02505	1.2
141.01967	6.5
143.03484	2.6
143.07205	1.9
147.01094	1.6
153.37375	1.1
159.03026	5.7
161.04565	15.6
163.04031	3.7
165.02263	2.8
176.01152	11.4
191.03569	3.3
191.07167	3.2
192.04338	2.1
192.10381	1.3
220.03676	1.5
235.02615	6.7
235.06194	10.6
235.09911	0.8
235.11847	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	236.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
59.36771	0.2
71.01392	0.4
71.04417	0.2
71.24191	0.4
72.88786	0.2
73.02942	0.3
85.02974	0.2
87.15878	0.2
101.02497	0.4
117.03490	0.2
134.03755	0.7
135.04546	0.6
136.05302	1.0
145.02962	0.6
148.05327	9.4
149.05984	0.5
149.09764	1.3
162.06868	0.4
170.24574	0.2
175.07660	0.7
176.08463	0.7
177.09238	44.4
178.09546	2.3
180.08020	0.3
190.10016	2.0
191.10873	1.0
192.11595	33.4
193.12003	1.5
201.09262	0.8
203.07181	0.6
217.08725	3.3
218.09505	8.8
219.09952	0.3
229.30080	0.2
236.10568	100.0
237.07491	0.5
237.08527	0.3
237.10977	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	237.0407
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
53.66435	0.5
58.97631	0.6
59.01386	2.5
68.95127	0.6
71.01392	2.3
71.30524	0.9
73.02978	0.9
83.01431	0.5
85.02953	1.1
87.00901	0.7
91.18133	0.5
91.24054	0.6
92.01857	0.5
93.03477	1.9
95.01421	0.5
101.02454	1.7
105.03475	0.7
106.04272	1.4
109.02966	0.6
113.02470	0.7
117.03474	1.7
119.05029	3.7
120.97652	0.6
121.02966	4.9
133.02989	8.2
134.03758	100.0
135.04083	2.4
137.02467	19.6
137.03529	1.0
139.04036	7.2
145.02980	8.9
149.02434	3.0
149.06091	19.4
150.03244	2.3
150.06381	0.6
160.40193	0.6
161.02353	0.6
163.03987	1.2
165.02052	0.7
177.02086	0.6
178.02734	56.7
179.03099	2.4
191.03401	0.7
193.05061	16.9
222.01717	11.4
237.04066	83.1
237.07457	4.4
238.04436	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	237.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15216	0.8
56.59779	0.8
57.03445	2.1
58.99590	1.1
59.01375	3.3
63.96237	0.9
66.03486	0.9
69.82062	3.7
71.01386	3.5
72.99315	1.2
73.01178	0.8
73.02966	1.3
74.99096	9.5
75.00873	2.5
81.02194	1.7
82.02990	7.7
83.01411	0.8
85.02959	4.0
87.00884	62.8
87.02744	9.5
88.01206	1.0
90.98611	5.7
94.06616	3.2
98.02482	7.0
98.20605	0.9
99.00864	1.1
101.02474	2.3
101.04324	3.8
102.98634	0.9
105.03795	5.5
113.02428	1.7
115.00375	1.3
120.04533	1.1
120.99670	100.0
128.03568	1.1
129.01967	10.0
131.01717	1.3
135.01180	2.7
135.06934	1.0
136.99181	4.4
138.05566	1.0
138.96548	0.8
139.07755	1.2
145.02960	2.8
147.03201	1.7
148.07663	5.7
149.02797	44.1
149.06419	5.3
150.09258	8.9
165.99088	2.7
166.08746	7.6
175.04378	2.1
176.07181	9.8
179.00121	1.2
193.25029	0.8
194.08202	2.3
204.04234	2.4
210.05705	1.3
210.07727	4.2
219.03314	0.9
237.04352	41.4
237.06473	16.8
238.04724	1.2
238.07042	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	237.0621
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
50.51307	0.3
52.35913	0.3
57.03458	1.7
58.10214	0.3
59.01389	2.0
61.34357	0.3
66.66060	0.3
70.51201	0.6
70.51572	0.5
71.01387	1.2
72.99347	0.4
75.00877	1.8
78.95908	4.0
85.02984	2.1
87.00882	100.0
88.01231	1.1
95.96489	0.3
98.20685	0.3
101.02485	0.5
110.47704	0.3
111.00866	0.4
112.08975	0.3
129.00983	0.7
129.01952	14.8
130.02237	0.3
135.34718	0.4
141.36861	0.3
187.74794	0.3
218.86909	0.7
219.05127	0.4
237.06163	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	237.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29959	0.7
59.01389	5.5
63.78927	0.6
69.64337	3.3
71.01408	1.4
87.00864	0.6
89.02468	2.1
91.04024	2.9
104.19585	0.7
117.03475	24.7
118.03757	0.7
119.05042	57.0
119.42205	0.7
120.05346	1.9
121.02960	2.4
123.04533	0.7
131.27036	0.6
133.02896	0.7
145.02966	100.0
146.03314	3.6
163.04031	20.9
237.07706	52.8
238.07985	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	237.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.4
71.01398	0.7
76.02012	0.3
82.10703	0.4
89.02446	1.9
89.21629	0.3
91.04015	3.0
111.24045	0.3
117.03483	26.5
118.03755	0.6
119.05040	58.5
119.21017	0.3
120.05387	2.1
121.02963	1.9
123.04552	0.5
145.02969	100.0
146.03310	3.3
162.03242	0.5
163.04022	20.1
164.04321	0.6
216.10841	0.3
217.88499	0.3
226.18201	0.4
226.77876	0.4
237.07695	54.2
238.08022	2.4
246.13538	0.4
248.04985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0771
Annotation	1-O-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
53.06177	0.6
55.87367	0.5
58.00605	0.6
58.16910	0.5
59.01393	7.6
62.26303	0.5
70.65788	1.2
70.66119	0.7
71.01392	1.6
72.99323	0.7
73.23075	0.5
79.87747	0.5
89.02460	2.4
91.04032	2.5
96.60605	0.5
101.02456	0.9
117.03484	27.6
118.03791	0.7
119.05042	59.6
120.05351	1.3
121.02971	1.6
123.04571	0.8
133.03038	0.6
134.03770	0.7
136.01625	0.7
145.02972	100.0
146.03319	4.2
147.04524	0.9
151.04062	1.0
163.04034	19.7
237.03920	1.6
237.07703	53.0
238.08148	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	237.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
69.33609	0.4
71.01403	2.4
72.99294	0.5
73.02957	0.7
75.00912	0.5
75.81983	0.4
78.95943	0.5
83.01373	0.5
85.02964	1.1
87.00885	1.3
89.02449	2.1
91.04020	2.6
93.03458	0.9
93.99577	0.4
101.02452	1.4
105.03457	0.5
113.02445	0.8
117.03475	24.6
118.03799	0.7
119.05041	35.4
120.05374	1.0
121.02985	3.3
123.04554	0.7
126.09125	0.4
133.02989	1.4
134.03760	15.3
135.04245	0.4
137.02467	3.6
139.03975	1.0
145.02966	100.0
146.03297	4.0
147.04575	0.6
149.02444	1.6
149.06108	3.3
151.00415	0.3
152.41791	0.3
162.03246	0.8
163.04028	12.5
165.09299	0.4
177.02086	0.5
178.02727	8.7
179.03282	0.6
191.03526	1.8
193.05066	3.1
193.08797	0.9
219.02924	0.8
222.01770	2.7
237.04120	13.8
237.07693	44.9
237.11484	1.3
238.04460	0.4
238.08202	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	237.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.8
68.15155	0.4
71.01408	2.4
71.53259	0.6
73.02962	0.8
79.95758	0.7
80.85723	0.4
85.02972	0.7
87.00900	0.8
89.02460	1.3
91.04032	2.7
92.91315	0.5
93.03480	1.4
101.02455	1.6
115.97028	0.5
117.03476	26.0
118.03841	0.6
119.05041	22.3
120.05402	0.6
121.02986	4.9
123.04595	0.8
133.02974	1.4
133.06726	0.4
134.03726	1.5
136.76845	0.4
137.61588	0.5
145.02966	100.0
146.03294	3.3
149.02505	0.8
149.06088	0.8
161.02467	1.9
162.03036	1.0
163.02769	0.8
163.04041	9.7
173.04568	1.0
174.04883	0.5
178.02788	0.5
193.08621	0.5
222.01685	0.6
234.25264	0.4
237.03894	1.5
237.07681	40.1
238.08046	1.2
244.79202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.02
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.2
60.50111	0.9
61.98826	2.6
67.92091	1.0
69.03450	1.7
70.71337	2.5
73.01685	0.9
73.02958	1.1
78.95896	1.6
79.01883	1.0
81.47509	0.8
82.02940	0.9
83.01366	0.9
87.00880	2.4
91.57643	0.9
93.03442	3.7
95.01385	1.5
96.96004	6.6
97.02991	0.9
98.02497	1.3
101.04321	1.4
103.03892	5.5
108.02185	62.8
113.02486	1.2
117.48993	0.9
123.00893	4.4
123.04530	15.8
125.02402	1.0
133.04893	1.6
136.01639	4.7
137.02417	3.8
151.04059	1.5
151.05960	6.9
152.01163	100.0
153.01457	1.0
154.08817	1.0
167.03510	56.9
168.03816	1.5
177.07465	1.5
179.03532	4.2
179.05586	6.3
180.00647	18.1
182.96878	1.0
195.03009	10.9
214.31335	0.9
223.02748	2.9
238.87790	1.1
239.01982	4.2
239.05490	3.0
239.07492	2.2
239.12932	1.9
239.16594	1.0
239.20172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0927
Annotation	CMPF
Peak:m/z	Relative Intensity
59.01385	100.0
60.01713	1.0
66.91724	0.6
71.01443	1.5
81.03482	2.6
83.05043	1.0
83.29394	0.6
85.02952	1.7
93.03464	0.9
95.05045	2.7
97.06581	3.7
109.06604	3.6
123.08192	0.8
133.06604	0.9
135.04507	0.7
135.08180	3.0
141.05592	10.5
149.09729	0.7
151.07776	0.7
151.08777	13.6
151.11250	3.6
177.09198	3.3
179.05630	1.4
179.07129	1.2
195.10280	35.4
195.13985	1.0
196.10532	2.2
207.92227	0.6
221.08229	0.7
239.05499	1.5
239.09224	23.1
240.09685	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	239.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67869	0.6
55.24847	0.7
55.66898	0.6
55.68567	0.6
57.03448	0.6
59.01381	4.9
63.47941	0.7
67.01894	0.7
67.03027	0.6
71.01380	1.6
71.53282	1.2
73.02956	1.5
74.99128	1.0
80.96508	0.9
81.02193	1.6
82.02990	32.4
82.06632	0.9
83.01389	0.7
83.03326	1.6
84.04556	2.3
85.02952	1.9
87.00886	1.6
94.06628	1.0
97.02971	0.7
98.02480	2.7
99.02774	0.7
102.05576	1.3
103.03892	1.0
107.04991	0.8
108.02169	5.4
109.04085	4.5
110.02470	2.9
110.06124	0.8
110.12209	0.7
110.53515	0.7
111.03284	8.2
112.04063	1.4
117.01936	0.7
121.02960	1.1
122.99180	1.2
123.00864	1.4
123.04531	1.4
124.07664	0.6
127.05150	19.0
128.03551	2.0
134.09775	5.4
136.01643	1.0
137.02501	0.7
139.04016	0.8
139.08743	5.9
140.07100	0.8
149.08049	1.2
149.10822	2.1
150.09251	0.9
151.02325	0.9
151.04117	1.2
151.05984	1.5
151.08559	3.9
151.09731	1.7
152.01143	8.0
153.05568	0.7
167.03462	4.2
167.09193	1.2
168.10316	0.9
177.07593	3.6
177.10335	9.3
178.08655	1.5
179.05643	3.8
180.00623	1.5
187.88475	0.6
191.42769	0.7
195.02948	1.5
195.11395	100.0
196.11804	4.6
211.08075	1.4
221.04756	0.7
221.06754	2.0
221.09337	7.8
223.02899	1.9
239.05522	1.5
239.07524	2.7
239.10623	3.2
239.12691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2019
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01385	5.7
69.54639	2.3
71.01379	0.6
94.32579	0.4
106.41441	0.3
110.45049	0.4
130.76343	0.4
137.05873	0.4
221.19141	1.7
239.06700	0.9
239.20181	100.0
240.20508	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	241.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98040	100.0
59.01395	4.1
65.76291	0.8
69.53112	0.7
69.57174	5.5
71.01398	5.7
74.99122	0.9
82.02991	1.8
83.01414	0.9
85.02908	0.8
87.00893	0.9
93.03485	1.2
94.32837	0.8
96.96011	5.6
98.20691	1.7
99.00950	1.2
112.04124	0.9
118.98098	22.4
121.02970	42.7
122.03252	1.0
123.02731	4.7
123.04552	1.4
126.09235	1.0
127.04070	0.9
133.02925	0.8
140.98958	0.8
141.10349	1.0
150.03258	1.0
151.02258	8.0
153.07503	1.5
161.02281	0.9
177.54530	0.9
179.01761	2.2
183.06715	1.1
194.09306	0.9
197.06325	2.2
197.12933	2.7
211.06171	1.2
226.06406	12.1
227.03513	1.6
232.06659	1.6
241.00217	6.0
241.05161	1.6
241.08694	3.0
241.11858	4.1
241.14319	1.9
241.18112	1.0
241.21658	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	241.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58732	0.9
54.22419	0.9
54.69183	0.8
56.98043	1.1
59.01380	3.8
66.49426	0.9
67.01883	1.2
71.00667	2.4
77.59282	0.8
90.02507	0.9
95.01445	1.2
95.45930	0.9
96.96021	2.3
97.93358	1.0
98.26514	0.9
108.02198	1.8
111.00877	1.8
111.56471	0.9
114.07493	1.0
121.02988	1.8
122.03803	1.2
123.00909	9.3
123.04543	3.7
125.02405	1.6
135.00897	6.1
138.03238	2.7
139.00410	2.2
139.03972	5.7
149.02432	1.1
150.03229	4.1
151.00391	1.3
152.59148	0.9
153.01965	20.6
153.05583	4.1
163.00394	63.4
164.00824	1.6
166.02902	1.0
178.02736	83.9
179.03244	3.4
181.01448	35.2
182.01955	1.0
183.06650	24.9
184.06943	1.0
187.09534	0.9
193.05072	53.2
194.05521	1.6
195.02895	1.1
196.03799	8.9
211.02621	4.1
211.06140	100.0
212.06503	3.1
214.44038	0.9
226.04837	11.6
241.00266	2.9
241.07207	44.8
242.07561	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	241.0871
Annotation	Pholidotol D
Peak:m/z	Relative Intensity
52.54271	0.1
56.31655	0.1
56.98019	0.2
59.95858	0.1
71.53761	0.2
87.00883	0.2
96.96008	0.4
169.06511	0.3
191.18011	0.1
197.06075	2.2
198.06749	0.4
222.98782	0.2
225.05586	4.2
226.06369	100.0
227.06700	5.3
241.00415	0.7
241.08723	31.2
241.21617	0.4
242.09087	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	241.0872
Annotation	1,7-Dihydroxy-5-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
59.01381	0.2
63.10650	0.2
63.47760	0.2
69.56971	1.0
69.57390	0.4
81.99557	0.2
98.20695	0.2
99.09391	0.2
111.00880	0.2
143.77472	0.2
151.95924	0.2
152.98444	0.3
169.06613	0.3
197.06120	2.1
197.09959	0.2
197.11861	0.6
198.06871	0.4
213.09137	0.2
223.07799	0.4
224.04985	0.2
225.05621	4.2
226.06372	100.0
227.06703	6.0
241.08730	32.4
241.21793	0.7
242.09114	2.1
246.37592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03449	1.1
59.01398	1.1
69.03479	1.7
71.01386	1.2
71.05045	4.2
71.54668	0.7
87.00890	1.0
93.03477	2.2
103.67383	0.7
109.69791	0.6
118.31762	0.6
123.08161	1.1
125.09740	1.4
133.02965	1.6
135.04543	3.7
137.02480	1.0
147.04523	7.5
151.11359	0.6
153.12869	2.8
161.02448	3.4
163.72775	0.6
173.04564	4.1
178.11276	0.6
179.03516	2.4
179.10809	5.6
195.05696	0.7
197.11852	100.0
198.12204	4.6
223.09767	5.1
226.06389	6.2
241.00085	1.0
241.05254	2.4
241.08771	2.7
241.10840	43.7
241.21758	1.8
242.11191	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	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.04774	0.5
55.01891	0.5
56.25691	0.5
57.01969	0.5
57.03435	1.0
69.03476	2.9
70.22214	1.8
71.01371	0.6
71.05031	3.8
81.03481	0.5
83.04993	0.6
100.86418	0.4
116.34863	0.6
123.08173	1.6
125.09739	1.6
134.90263	0.5
137.09723	0.8
137.42043	0.5
139.87830	0.6
151.11368	1.3
153.12877	2.6
161.09770	1.2
179.10806	7.6
184.25221	0.5
197.11844	100.0
198.12183	4.2
223.09767	3.0
241.05496	1.3
241.10835	64.6
241.21788	1.2
242.11182	3.3
263.81937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1085
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
59.01398	0.6
68.59858	0.5
69.74765	2.6
71.01391	0.9
71.77296	0.5
73.02962	1.1
83.01392	0.5
87.00891	1.2
96.96025	4.3
107.21053	0.6
119.61716	0.4
125.09725	0.8
127.11579	0.5
137.09753	0.6
151.11324	2.2
153.09196	1.1
153.12811	0.6
161.09790	0.6
165.09203	0.5
169.12361	100.0
170.12694	3.4
179.10890	0.7
183.10349	0.6
197.06096	0.6
197.11853	17.2
204.97688	0.5
223.09785	1.2
226.06352	7.8
241.00270	6.6
241.08707	3.3
241.10843	35.6
241.21739	1.7
242.11140	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	241.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86690	0.4
57.03448	0.9
59.01392	0.7
69.63486	2.9
71.01406	0.5
73.02957	0.6
87.00888	1.9
96.96019	2.7
101.02471	0.6
109.04027	0.5
137.09761	0.8
149.90709	0.5
151.11314	1.8
153.01935	0.5
163.00308	0.7
164.41759	0.5
169.12360	100.0
170.12724	3.8
178.02759	0.6
179.10760	1.2
190.06961	0.5
195.13951	1.5
197.06081	1.4
197.09999	1.0
197.11852	19.6
198.12238	0.6
211.06117	1.0
223.09848	0.8
226.06383	3.2
232.77252	0.6
237.93123	0.5
241.00266	4.4
241.05186	1.7
241.08803	1.9
241.10838	34.3
241.14351	4.1
241.18120	0.7
241.21808	1.8
242.11224	1.2
244.27693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36546	2.2
55.01882	28.1
57.03452	7.6
66.03485	2.8
71.01381	3.2
71.11109	2.1
71.19676	3.5
73.55492	2.0
74.02494	3.4
74.76149	2.4
79.74094	2.2
81.02207	6.5
82.02989	22.4
83.01383	20.2
84.04563	4.4
86.02493	3.3
98.02505	7.8
99.00882	2.8
99.08183	4.7
99.77879	2.0
109.37818	2.0
111.03269	5.8
112.04071	3.1
112.07700	6.1
114.05648	4.4
124.07712	24.5
125.01315	2.4
125.06136	2.3
126.05602	2.8
126.09261	95.0
127.00397	3.8
127.09656	2.3
128.03537	37.0
134.06139	5.5
136.07683	19.8
151.78558	2.5
152.07195	31.3
154.08755	100.0
155.09068	3.0
155.11938	7.4
162.05609	6.7
170.08223	3.6
180.06679	9.8
181.09843	15.2
196.06166	18.8
198.07738	43.7
199.08023	2.5
199.10912	38.4
224.05672	20.4
242.06688	22.7
258.23807	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	242.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82174	1.4
55.01888	31.1
57.03437	7.1
70.33578	3.7
72.00902	1.6
74.02470	3.7
80.05070	1.9
81.02181	7.1
82.02991	17.7
83.01394	18.6
84.04528	3.5
91.24929	1.4
94.96407	1.5
98.02499	7.6
99.08158	5.5
111.03249	5.7
112.07687	4.5
114.05585	3.9
118.44614	1.6
124.07699	22.3
126.05593	2.1
126.09264	100.0
127.00386	4.5
127.05214	1.8
127.09644	2.0
128.03555	25.8
134.06148	3.1
136.07689	15.7
148.04950	1.5
152.07179	31.0
154.08746	96.4
155.09090	2.9
155.11884	5.6
162.05609	7.1
166.75995	1.5
180.06674	5.9
181.09918	7.8
196.06169	13.3
198.07729	40.7
199.10890	27.2
204.32979	1.6
224.05644	20.5
242.06740	19.1
243.09891	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	242.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26777	0.3
55.01884	3.7
55.11865	0.3
57.03448	1.0
58.02993	0.9
66.03498	1.2
70.27370	0.7
70.27763	0.5
71.01401	0.6
72.00918	4.5
74.02482	13.2
80.05028	0.4
81.02239	0.7
82.02991	21.8
83.01402	2.5
84.04554	14.8
85.02958	0.7
85.06632	0.9
86.02486	6.5
94.03036	0.3
96.04557	0.6
97.02933	0.5
98.02485	2.1
98.06126	0.3
99.00896	0.6
99.08170	0.6
100.04079	0.8
107.05052	2.5
110.02490	6.2
110.06139	0.4
111.02067	0.5
111.03272	3.0
112.04068	2.3
112.07697	11.9
112.98835	0.8
114.05613	4.8
116.07172	0.7
122.02496	0.7
124.04069	1.0
124.07699	6.6
125.06194	0.4
125.07225	1.2
126.05531	0.3
126.09259	11.5
127.00381	0.6
127.05146	6.5
127.09611	0.4
128.03552	100.0
128.10843	0.6
134.06143	0.4
136.07687	3.1
137.06100	0.5
138.05609	0.4
138.09337	0.4
140.03587	0.7
140.07184	3.3
142.99927	0.5
144.99529	0.3
151.08727	0.7
152.03558	1.0
152.07173	2.9
153.03099	0.4
153.06767	0.4
153.10335	2.7
154.08748	11.3
155.11919	17.0
162.05629	1.0
163.08806	0.6
164.07283	0.3
170.08229	1.2
173.00920	0.9
174.01285	0.4
179.08264	1.2
180.06662	1.1
181.08601	0.4
181.09836	31.4
196.06165	5.0
198.07733	8.9
199.10890	96.3
200.05675	1.6
207.07758	1.1
214.07239	1.0
224.05637	2.2
224.64346	0.3
225.08740	0.8
242.06717	10.5
243.06282	1.4
243.09874	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	243.0987
Annotation	CHEBI:73508
Peak:m/z	Relative Intensity
54.83837	1.0
70.69580	2.5
72.00921	5.3
74.02483	12.4
76.33025	1.0
80.03472	1.0
82.02995	17.6
84.04560	13.9
84.46183	1.2
86.02482	7.7
89.39168	0.9
108.23390	1.1
110.02476	1.7
111.03291	2.7
112.07713	4.8
114.05614	4.2
124.07687	3.9
125.07205	1.6
125.62601	1.1
127.05178	6.2
127.09613	1.4
128.03557	99.9
129.03908	2.3
136.93382	1.0
153.10371	2.5
155.09087	2.3
155.11908	19.8
181.09842	29.5
182.10165	1.2
183.18538	1.0
199.10895	100.0
200.11208	4.7
243.09840	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42587	1.6
59.60208	1.7
69.66178	9.2
72.00916	3.6
74.02481	12.9
79.35946	1.4
82.02989	13.7
84.04562	12.8
86.02482	5.4
110.02479	5.5
111.03363	1.7
112.07714	3.4
112.98833	1.8
114.05639	2.5
124.07729	4.1
127.05150	4.6
128.03563	83.6
153.10408	2.8
155.11934	16.5
173.01001	2.1
177.23358	2.0
181.09854	29.7
199.10904	100.0
231.14899	1.6
238.99457	1.6
243.09865	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	243.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42820	2.1
67.94502	1.7
69.37393	1.8
70.02604	8.2
72.00929	2.2
74.02481	13.7
82.02998	11.6
84.04545	9.6
86.02480	3.6
112.07673	4.4
114.05612	3.6
127.05164	5.6
127.09504	1.9
128.03557	95.1
129.03841	2.9
139.84227	1.9
154.08733	2.9
154.83997	1.9
155.11955	15.6
181.09839	24.7
199.10901	100.0
200.11121	3.5
201.78995	1.8
243.09821	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.82199	0.7
57.03436	1.5
59.01379	1.3
62.87608	0.6
69.19536	2.9
69.19962	3.6
71.01379	1.0
71.05026	4.8
73.02948	0.6
83.05022	1.3
92.20518	0.7
92.51668	0.7
97.02959	6.6
97.06580	1.9
98.19920	1.1
99.00888	24.9
99.01539	1.4
102.05608	0.7
109.06593	1.6
110.03717	2.3
123.08158	1.6
125.09732	8.4
127.11282	1.1
128.03566	3.4
135.08154	1.6
136.05298	1.6
142.02713	2.0
153.12798	1.4
155.14423	1.6
161.09776	0.7
163.11298	10.8
179.10754	1.0
181.12349	28.9
182.12637	1.4
197.11882	1.5
199.13428	21.3
200.13736	1.1
207.10271	57.2
208.10620	2.8
213.80093	0.7
225.11328	100.0
226.11670	5.3
243.12378	88.9
244.12720	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.95490	0.8
57.03449	1.3
59.01381	4.5
69.82642	3.6
71.01389	1.8
71.05026	3.4
71.12542	0.8
72.18710	0.8
73.02988	1.0
83.05032	1.1
97.02957	5.0
97.06583	1.0
99.00898	12.3
109.06601	1.2
110.03725	1.1
114.37138	0.8
125.09753	4.3
127.11292	2.8
128.03558	1.1
135.08176	1.1
136.05286	1.1
139.11292	4.1
153.12869	1.4
155.14409	1.1
163.11302	7.0
181.12349	21.1
183.10277	6.4
197.11823	2.3
199.13408	51.4
200.13731	1.5
207.10277	35.0
208.10643	1.7
225.11331	76.6
226.11618	4.3
230.50226	0.9
243.12384	100.0
244.12697	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01366	1.1
71.05030	3.2
71.53813	0.6
71.54211	0.6
74.09341	0.5
80.95257	0.6
97.02955	3.7
97.06564	1.3
99.00891	15.9
109.06589	1.0
110.03730	1.5
123.08170	0.7
125.09725	5.7
128.03584	0.8
135.08206	0.7
136.05276	1.3
142.02718	1.6
144.64680	0.5
146.90007	0.6
153.12790	0.7
155.14445	1.7
163.11310	6.2
181.09853	0.7
181.12354	15.8
181.13927	0.8
182.12654	0.7
197.11745	0.8
199.13412	14.2
200.13741	0.8
207.10275	31.5
208.10571	1.2
225.11340	67.5
226.11671	3.4
243.12384	100.0
244.12753	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	245.0932
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
52.04591	0.9
58.02982	25.1
59.01367	1.0
70.02988	15.6
72.00903	4.8
72.04552	4.7
74.02480	100.0
75.02814	1.0
85.02953	0.8
98.02489	23.7
98.20662	1.9
103.09152	0.9
116.02723	1.1
116.03567	28.4
116.05070	32.5
116.07188	0.8
127.91164	0.9
128.03499	0.9
129.05881	1.0
130.06636	4.8
142.06644	7.5
159.09308	6.2
183.09279	2.4
184.50604	0.8
186.05603	1.8
201.10219	8.9
203.08282	95.4
204.08612	2.9
209.11783	1.8
240.39188	0.8
245.09323	74.6
246.09642	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	245.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38472	0.7
55.52630	0.8
55.91285	0.9
58.96837	0.9
65.08566	0.8
70.51437	1.8
70.51802	1.6
72.00908	0.9
74.02479	1.1
82.02982	3.7
84.04565	1.9
85.02970	2.0
87.00911	1.2
100.99271	0.8
101.02429	1.9
112.04027	0.9
113.86973	0.8
116.07188	97.3
117.07539	1.5
127.08807	2.0
128.03554	100.0
128.10852	1.4
129.01958	7.5
129.03877	2.3
139.08719	1.0
155.11826	1.0
165.10349	2.9
183.11368	7.5
209.09338	9.2
227.10364	9.4
245.11424	11.6
246.09779	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	245.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28928	0.5
74.02489	1.6
82.03005	2.0
84.04549	2.0
86.02489	0.6
111.61202	0.6
116.07188	79.2
117.07541	1.5
127.08810	0.8
128.03554	100.0
129.03885	1.6
137.07230	1.3
139.08766	0.7
150.48781	0.8
157.13513	0.8
165.10371	2.3
183.11362	5.7
189.88376	0.6
209.09348	13.2
210.09647	0.8
227.10393	10.4
245.11426	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	245.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85744	1.0
70.86092	0.8
72.00902	0.7
74.02489	1.3
75.81009	0.6
80.20819	0.5
82.02984	3.0
82.47967	0.6
84.04551	1.7
112.04066	1.0
116.07189	80.6
117.07555	1.7
127.08810	1.0
128.03554	100.0
129.03911	1.5
137.07204	0.6
139.08830	1.6
144.94406	0.6
155.11990	0.7
157.13408	0.6
165.10382	2.7
183.11417	7.3
201.12442	0.7
209.09334	9.3
227.10390	9.5
245.11432	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	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87749	0.8
52.75848	0.7
58.00604	1.3
69.31151	7.2
73.02969	0.8
74.02473	1.9
80.02689	1.8
81.03464	0.9
83.05032	4.2
84.02179	1.9
93.39704	0.8
97.06593	1.3
108.78425	0.8
114.62672	0.8
116.07161	1.1
125.09762	4.1
127.11312	5.9
128.03563	1.3
131.23631	0.8
135.55678	0.7
137.09634	1.0
155.10776	2.8
157.06589	4.3
163.11343	3.7
163.79764	0.7
165.09192	2.8
165.12862	2.4
166.03349	0.9
169.67938	0.8
171.10268	3.4
191.10864	0.9
199.09753	1.5
201.05540	2.9
201.11339	85.2
202.11691	2.7
209.11838	100.0
210.12204	4.4
227.12920	12.2
245.01047	0.9
245.09140	1.1
245.13950	1.1
256.61057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Valinopine
Peak:m/z	Relative Intensity
57.03447	0.9
69.03448	1.8
70.89174	1.8
71.01333	0.9
72.04553	1.9
72.99311	2.3
84.04553	0.8
85.02959	20.1
101.02449	11.6
116.07191	100.0
117.06759	1.2
117.07527	13.7
118.98125	2.0
122.86417	0.8
126.09249	1.5
128.03561	18.1
128.10844	14.3
129.01961	72.1
129.03899	14.4
130.02248	1.3
138.09273	1.2
154.08733	2.1
156.10345	4.6
163.20319	0.7
168.30624	0.7
173.04607	1.4
184.09837	1.3
184.11723	2.0
210.09644	3.1
228.08810	9.1
228.10791	3.2
229.09032	0.8
246.09776	15.4
246.11862	2.3
247.10283	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	246.0986
Annotation	Valinopine
Peak:m/z	Relative Intensity
55.07784	0.6
57.03446	1.2
69.03461	2.2
70.02612	1.4
70.03036	2.2
72.04559	1.5
85.02957	27.1
96.96034	0.7
98.20596	0.6
98.31106	0.6
101.02453	17.3
107.12721	0.7
113.02466	0.8
116.07189	100.0
117.07561	1.5
118.98120	1.8
127.03994	0.9
128.09883	1.0
128.10832	17.8
128.11763	1.4
129.01956	99.5
130.02277	1.5
144.04555	1.3
154.08788	2.5
156.10324	5.6
166.08754	0.9
177.49081	0.7
184.09813	2.0
186.95656	0.9
188.03558	1.3
202.10912	1.1
225.66739	0.7
228.08789	13.7
246.09827	25.4
247.02876	0.7
247.09984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08569	1.4
59.01394	1.6
60.99303	3.2
69.03464	2.6
69.67779	8.6
72.97519	2.0
72.99304	2.9
74.99094	3.3
83.05032	2.9
85.06594	100.0
87.02777	3.3
88.98817	18.9
90.98030	2.1
90.98602	42.6
93.64749	1.4
97.02947	2.2
97.06590	13.8
105.00159	3.2
111.04523	18.8
113.02415	1.6
113.04323	6.5
116.07153	3.9
117.07496	3.6
118.98095	37.1
125.02451	6.1
127.04024	64.4
128.04373	1.6
129.01936	2.9
129.03793	1.5
130.02234	2.6
131.05342	10.0
132.99690	1.9
134.58531	1.7
139.04022	87.0
140.04355	1.9
141.03821	1.7
145.02893	1.4
149.06084	1.3
150.88849	1.5
153.13121	1.5
157.03278	5.2
169.05063	2.8
175.04333	2.0
185.02751	2.0
186.95654	5.3
219.03314	44.7
229.01701	5.2
247.02817	61.1
248.03188	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0767
Annotation	N-FORMYLMETHIONYLALANINE
Peak:m/z	Relative Intensity
52.76283	0.3
54.17502	0.2
54.68807	0.2
57.75180	0.2
59.01369	1.1
71.01382	0.2
71.54041	0.4
72.99284	0.2
79.95724	0.4
84.55271	0.2
89.87662	0.2
90.97202	0.2
94.59182	0.3
115.70057	0.2
121.02960	0.5
126.20433	0.3
132.98224	0.7
136.11130	0.2
174.99228	0.8
186.95607	1.9
203.33717	0.3
204.05801	2.5
205.06580	2.4
217.06631	0.6
218.07384	1.3
219.08115	0.9
232.05328	10.6
233.05597	0.8
241.64334	0.3
245.06114	1.8
246.06877	16.9
247.07655	100.0
248.07993	7.0
248.78107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1129
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
55.02852	0.2
66.90855	0.1
88.85869	0.1
98.20290	1.1
202.85674	0.1
205.10211	0.5
219.11781	0.6
230.07321	0.2
230.11569	0.1
244.08937	0.2
245.09801	1.1
247.11290	100.0
248.11630	6.9
250.44487	0.1
258.93039	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	247.1703
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01377	0.2
71.01616	0.2
78.52512	0.1
78.56105	0.1
78.58598	0.1
121.02946	0.3
150.40698	0.1
165.01880	0.2
174.99214	0.2
184.00183	0.6
186.95609	0.4
205.15993	0.2
220.17035	0.9
231.13919	0.5
247.17039	100.0
248.07945	0.4
248.17375	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	249.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27510	3.1
51.48372	3.1
59.01383	10.4
70.40244	12.1
71.01388	9.8
73.02940	8.4
74.99090	6.0
75.00867	5.1
85.02972	6.8
87.00864	9.4
89.02339	8.2
97.06597	3.3
113.02441	5.9
120.99664	100.0
127.03999	10.4
128.03586	4.3
131.05237	3.3
133.00932	3.6
133.02922	3.3
136.99205	3.7
161.02718	7.7
161.06299	5.2
175.04024	3.5
177.01947	4.6
191.05644	6.1
202.36456	3.1
204.04250	10.3
205.15939	5.0
216.62514	3.8
219.02960	3.8
219.06685	7.1
231.03386	4.5
234.05275	3.9
249.04091	6.2
249.07474	4.4
249.09610	6.4
249.14886	9.1
250.14497	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	249.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35089	1.4
55.01890	1.9
59.01388	5.4
69.87333	7.5
71.01398	4.6
71.05019	7.7
72.99321	8.2
80.02686	6.5
80.96507	5.0
83.01406	1.6
83.04995	1.6
85.02962	2.5
85.06596	18.3
87.00889	32.5
93.03475	2.4
95.04995	1.7
97.06589	15.7
100.00446	2.1
101.02438	2.7
102.98615	6.1
104.74165	1.7
109.06596	12.9
113.06103	47.6
114.94868	1.4
115.04030	6.1
115.05872	3.6
123.04550	2.2
125.06091	15.6
128.03548	3.3
131.05400	27.1
135.16901	1.5
136.01677	2.0
141.00165	6.8
141.04527	3.3
141.05603	67.5
142.05963	3.5
148.06351	2.9
153.05598	29.4
159.04878	54.5
161.02562	1.7
161.06335	2.7
162.03214	1.9
168.99696	28.0
169.17004	1.7
175.04028	3.9
177.05713	2.4
180.81519	1.6
187.04390	34.8
203.03801	3.0
204.04285	5.7
205.12407	1.9
206.08189	2.3
219.02911	1.8
219.06609	2.0
231.03351	100.0
232.03625	3.8
234.37119	1.6
249.04347	13.4
249.07690	5.7
249.11330	3.3
249.15045	3.4
250.14514	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	249.0923
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
67.77216	0.1
75.92453	0.1
88.47550	0.1
94.97981	0.1
101.72515	0.1
120.31713	0.1
147.01422	0.1
178.07854	0.5
205.06526	0.2
206.07382	18.1
207.07893	1.7
219.08162	0.8
220.08936	1.8
221.06213	0.2
221.09653	1.2
222.06862	0.2
233.06047	0.6
234.06885	9.0
235.07179	0.5
247.07655	6.0
248.08397	1.6
249.09222	100.0
250.09564	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	249.0923
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
58.78975	0.1
69.91193	0.3
69.91589	0.3
83.12971	0.1
98.19913	0.1
189.12830	0.1
192.30237	0.1
204.04260	0.2
205.15965	0.3
206.07362	0.4
207.08130	0.9
219.08293	0.2
220.08879	0.6
221.09744	1.5
223.07683	0.3
234.06844	0.6
235.07622	0.2
237.59613	0.1
247.07602	0.3
248.08394	0.8
249.09218	100.0
250.09566	7.4
250.14241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0923
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
52.24173	0.3
64.25995	0.3
67.33620	0.3
71.30572	0.7
82.48872	0.3
85.40415	0.3
104.30119	0.3
205.06604	0.7
205.71062	0.3
206.07317	0.5
219.08192	1.3
220.08835	0.8
231.08070	0.5
232.05292	2.3
233.06047	3.5
234.06870	11.4
235.07280	0.8
247.07660	16.3
248.08434	38.0
249.09213	100.0
250.09645	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	249.1497
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03434	1.2
58.99135	1.6
59.01388	10.1
60.98712	1.6
61.98819	2.6
66.01824	1.2
68.99582	4.3
69.03462	32.8
69.47207	4.7
69.47630	4.2
71.01381	2.1
71.05037	1.3
73.02967	1.9
74.53793	1.3
83.05050	2.2
93.03463	2.6
95.05042	4.9
98.19836	1.2
101.02425	1.5
106.04234	2.1
111.08179	2.0
112.98580	8.4
121.10260	1.3
134.07442	1.4
135.08237	1.2
149.13394	4.2
154.97343	5.6
161.02490	1.5
167.10765	1.8
171.10329	2.1
187.14909	4.4
193.12308	6.4
203.14531	2.3
204.04309	5.1
205.12337	9.3
205.16008	12.1
218.87569	1.4
219.02962	1.3
219.06566	2.6
221.15489	16.3
231.13919	29.1
247.07742	3.0
248.08379	6.6
248.97258	2.4
249.04048	1.3
249.09355	26.1
249.14984	100.0
250.09546	1.2
250.14565	13.6
257.20435	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	250.0724
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
59.01379	4.7
71.01051	1.4
71.01418	2.9
77.68882	1.2
84.86197	1.0
85.02944	2.5
88.04046	6.6
93.03459	2.8
96.96031	2.7
115.00433	1.7
119.05052	1.8
120.03675	2.1
120.04563	52.4
121.02969	83.2
122.03254	2.1
128.03563	7.2
129.03882	1.2
132.03026	11.3
133.02988	1.8
133.06595	2.3
135.04576	1.2
136.07718	1.6
138.36742	1.0
138.50543	1.2
146.06140	2.2
160.04062	2.3
160.07703	5.4
162.03226	3.1
162.09262	42.5
163.03575	8.1
163.09602	2.7
170.06126	2.6
178.05920	4.5
188.07213	8.0
192.88025	1.2
206.08235	57.9
207.08586	2.4
232.06194	18.1
250.07211	100.0
250.14415	10.8
251.07468	4.3
273.45471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.6
69.45674	2.7
69.46075	5.1
85.02460	2.3
85.02959	44.5
85.03479	2.4
86.03260	1.9
101.02454	35.9
102.02795	1.3
121.02969	94.3
121.09444	1.4
122.03233	1.6
129.01958	100.0
130.02281	2.4
138.73038	1.2
170.38396	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	251.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35571	0.1
59.95494	0.1
69.25573	0.3
69.25980	1.1
80.73532	0.1
81.29491	0.1
98.19859	0.2
100.20725	0.2
106.78160	0.1
145.44496	0.1
176.86385	0.2
221.09776	0.2
224.08453	0.2
233.09843	0.2
234.06885	2.3
235.07559	1.6
236.08421	4.4
237.08727	0.3
247.07631	0.4
248.08458	1.8
248.10851	0.2
249.09222	9.2
250.10002	29.4
251.10776	100.0
252.11113	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	251.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00022	0.1
57.73797	0.1
60.65787	0.1
65.00497	0.1
67.37388	0.1
69.65560	0.7
74.89222	0.2
84.54272	0.1
98.20643	0.2
193.06578	0.8
193.41710	0.1
194.07265	0.2
206.07393	1.2
207.08165	0.5
208.08925	0.6
220.09013	0.2
221.06114	0.5
221.09694	0.3
222.06844	0.3
233.06039	0.2
234.06871	4.4
235.07602	1.9
236.08435	5.0
237.08707	0.4
238.06282	0.1
247.07668	0.5
248.08376	0.5
249.09224	28.5
250.09666	1.9
251.10786	100.0
252.11119	7.4
268.04712	0.3
268.07419	2.9
269.07742	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	253.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55073	3.2
55.01894	4.0
59.01385	45.3
64.35202	3.2
65.92219	3.3
69.03479	3.8
70.67983	5.8
70.68310	6.7
70.96350	3.1
71.01390	70.5
72.99316	100.0
73.02952	19.1
74.99113	14.4
75.00868	4.8
78.95908	44.0
81.03506	4.5
83.01395	12.2
85.01180	5.6
85.02942	6.9
87.00882	10.0
89.02443	29.7
95.01445	3.7
97.02967	12.8
99.00912	11.0
99.04530	3.8
101.02463	55.8
103.00391	11.3
110.06480	3.2
110.92630	31.0
113.02471	12.1
119.03539	4.6
125.02443	10.2
129.00208	17.0
131.03505	3.9
132.88655	5.7
133.01434	35.4
136.94058	20.4
136.94955	5.1
136.99146	8.5
137.70720	3.4
137.94029	3.9
143.03502	15.1
148.94930	5.4
152.93669	27.7
154.90532	25.5
154.91693	21.6
154.93388	6.7
155.03600	4.5
162.96613	3.6
163.02528	59.4
165.02260	9.2
168.17107	3.8
174.96577	7.1
178.94838	38.8
179.05560	4.1
179.95157	6.1
192.97621	5.6
193.03557	5.3
230.48582	4.0
252.93765	16.3
252.99821	12.4
253.05753	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	26.5
60.76919	0.8
69.37227	6.0
71.01373	2.8
72.46714	0.7
85.02949	1.0
89.02466	1.8
91.04013	1.5
93.77745	0.7
101.02488	1.0
115.42805	0.8
132.02290	1.0
133.02977	36.6
134.03830	3.8
135.04546	58.9
136.04868	2.3
137.02441	2.8
150.03238	0.8
161.02460	98.2
162.02773	3.6
167.72305	0.8
178.02747	0.8
179.03488	16.5
180.03885	1.2
193.07214	3.0
201.50659	0.7
253.07190	100.0
254.07535	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	253.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	26.5
60.76919	0.8
69.37227	6.0
71.01373	2.8
72.46714	0.7
85.02949	1.0
89.02466	1.8
91.04013	1.5
93.77745	0.7
101.02488	1.0
115.42805	0.8
132.02290	1.0
133.02977	36.6
134.03830	3.8
135.04546	58.9
136.04868	2.3
137.02441	2.8
150.03238	0.8
161.02460	98.2
162.02773	3.6
167.72305	0.8
178.02747	0.8
179.03488	16.5
180.03885	1.2
193.07214	3.0
201.50659	0.7
253.07190	100.0
254.07535	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	253.0874
Annotation	Magnaldehyde D
Peak:m/z	Relative Intensity
51.50122	0.2
55.58163	0.2
59.01390	3.8
98.20609	0.6
108.96809	0.3
110.41930	0.2
121.25744	0.3
122.85343	0.3
135.29059	0.3
139.30307	0.3
155.22806	0.3
193.07146	0.6
209.06094	0.5
210.06865	2.0
213.47873	0.3
222.06856	0.5
223.07704	2.5
224.08429	6.9
224.10524	0.5
225.09253	2.8
237.05621	0.3
238.06383	2.8
251.07135	3.1
252.07925	10.0
252.10588	0.5
253.08717	100.0
254.09055	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	253.2175
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01374	84.3
71.37320	28.2
71.37651	21.5
87.61810	19.4
191.22461	21.3
253.21664	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	254.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
57.03460	3.2
59.01395	4.0
59.40471	1.8
69.57310	11.6
70.02982	3.6
71.05013	2.5
77.15977	1.6
80.05067	10.7
81.02215	2.2
82.02991	32.2
82.06625	5.5
83.01400	7.3
83.05038	14.0
95.05043	2.0
96.04569	12.0
98.02494	7.4
98.06086	2.1
101.71399	1.9
109.37955	1.8
110.03782	3.7
110.06113	24.3
111.03278	45.4
111.04466	2.1
120.08209	5.0
121.06602	3.2
122.06117	5.2
122.09766	6.9
123.03242	2.8
123.08173	5.4
124.07709	2.7
126.01987	36.5
127.04028	52.8
128.04353	2.1
136.07713	3.5
137.04852	8.4
138.05620	21.0
138.09242	20.5
139.07668	5.8
148.07718	6.7
151.06381	3.0
164.07188	6.3
166.08754	33.0
172.83070	1.7
192.06679	100.0
193.06996	4.2
210.07758	3.4
254.06700	26.1
255.23328	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.6
57.67288	1.5
66.23888	1.6
69.03439	1.7
70.06609	2.1
70.60919	5.1
72.00931	2.8
72.04557	20.3
74.02492	1.7
82.02998	20.0
83.01402	5.7
84.04563	2.9
85.11232	1.6
86.53409	1.8
89.27992	1.8
94.50066	1.7
98.02498	3.4
98.06104	2.3
99.08168	5.6
100.04057	8.6
100.40607	1.6
111.03280	4.6
111.04529	4.0
111.08160	2.0
117.06355	1.7
121.06614	22.1
124.07733	2.9
126.05643	15.3
126.09260	59.9
127.09574	2.2
128.03561	22.1
138.05661	5.2
138.09253	7.2
139.07666	5.3
140.10822	6.0
148.07751	2.9
150.09241	17.6
151.07655	2.6
152.07161	2.9
154.08762	21.7
156.06627	3.3
166.08725	5.0
168.10318	10.1
169.08727	1.7
169.13469	2.4
182.08321	1.7
184.09854	9.9
195.11365	3.9
210.07735	29.5
212.09299	40.5
213.09560	2.2
213.12474	19.8
228.08833	7.7
256.08304	100.0
257.08643	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	256.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17517	1.4
53.66184	1.3
55.01883	6.4
57.03432	2.6
58.02974	2.2
59.89516	1.5
67.07959	1.5
70.02994	2.6
70.47787	3.1
70.48156	2.9
72.00920	3.1
72.04558	59.9
74.02486	12.1
81.02194	2.5
82.02993	31.6
83.01400	12.3
84.00941	1.5
84.04556	8.8
84.30722	1.3
84.87081	1.6
85.02972	2.4
86.02492	5.3
86.44641	1.4
98.02504	6.8
99.08163	2.5
100.04051	8.0
101.07211	6.3
110.06165	1.3
111.03278	5.6
111.08150	1.4
115.28733	1.3
121.06585	9.6
126.05620	4.3
126.09271	24.6
127.00332	2.3
127.05133	10.0
128.03555	92.2
128.07184	5.2
129.01952	2.0
138.05640	2.9
138.09279	10.1
139.07683	1.8
140.10826	31.2
148.07747	2.4
150.09258	11.8
154.08772	9.2
166.08745	14.9
168.10313	48.3
168.83505	1.6
169.13470	12.2
176.07187	3.5
180.58919	1.5
184.09813	4.8
194.08229	5.0
195.11406	23.1
210.07715	16.2
212.07286	2.0
212.09302	36.9
213.12469	100.0
228.08777	4.2
233.24794	1.7
238.07187	6.8
256.05627	2.1
256.08295	41.1
257.08774	2.4
257.11292	7.6
279.52362	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	256.0829
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
55.01881	3.1
57.77639	1.1
68.05057	1.4
68.97694	1.2
69.65374	7.9
72.04544	12.3
81.65333	1.2
82.02982	13.5
83.01416	6.2
83.56931	1.3
84.00898	2.4
96.62230	1.3
98.02479	3.8
99.08172	3.8
100.04032	6.5
111.03260	3.3
111.04504	4.2
113.44852	1.3
115.83830	1.4
121.06602	20.2
124.07644	3.0
126.05618	12.9
126.09254	53.4
127.09654	1.5
127.85249	1.2
128.03529	1.8
136.07713	3.9
138.05595	5.4
138.09254	5.1
139.07646	3.8
140.07178	1.9
140.10815	4.6
148.07759	2.8
150.09242	17.7
151.07631	2.3
152.07152	2.6
154.08733	17.9
162.05641	2.0
166.08762	2.9
167.07123	1.5
168.10281	8.0
169.08717	1.7
180.06541	1.4
184.09787	10.6
194.08076	2.9
194.28334	1.3
199.45837	1.3
210.07735	31.9
211.07927	1.5
212.09299	39.9
213.09683	2.0
224.05525	1.6
228.08789	8.1
256.08273	100.0
256.23767	1.4
257.08655	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	256.9763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13242	0.2
59.01379	0.3
60.55836	0.2
63.02421	0.2
63.96455	0.2
65.00333	0.4
71.54057	0.3
81.03481	0.3
81.17914	0.2
89.03993	1.1
91.01891	0.7
93.03494	0.3
95.05047	0.2
107.01402	0.5
108.04597	0.3
109.02969	0.8
110.63968	0.2
123.04525	0.3
128.03561	0.5
133.02980	2.1
135.00906	0.6
135.04533	0.4
141.23766	0.2
149.02425	0.3
161.02496	0.3
174.20271	0.2
176.04048	1.4
177.01942	100.0
178.02264	3.7
179.03578	0.5
184.07675	0.2
187.07724	0.5
190.39041	0.2
212.05919	0.5
213.05534	0.4
213.09169	0.5
213.12460	0.6
227.08270	1.5
242.05695	0.3
242.10635	1.0
256.23642	2.5
256.97644	9.8
257.04724	0.4
257.08264	1.3
257.12936	4.6
257.23953	0.7
257.97980	0.3
258.13120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63539	0.2
56.86374	0.2
69.48192	1.1
69.48600	0.6
72.57476	0.3
79.17525	0.3
92.05074	6.0
93.05389	0.3
94.02994	100.0
95.02791	0.4
95.03320	2.1
110.02496	1.4
118.03004	8.6
133.02994	0.3
135.04565	0.9
136.04053	12.7
137.04329	0.3
138.01994	2.5
144.04567	1.7
161.02429	0.7
162.01981	25.1
163.02295	0.7
167.06146	2.6
169.02921	0.6
169.04219	0.5
169.07756	0.4
170.06134	8.2
171.05635	5.3
176.04044	0.9
176.54247	0.4
179.03561	0.5
187.07677	0.8
195.05656	4.3
197.06187	0.4
211.04958	0.3
213.02170	0.9
213.06720	32.4
213.09059	1.6
214.07092	1.8
221.11900	0.3
239.04713	0.4
257.05716	45.1
257.08063	2.6
257.23965	0.3
258.06000	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	257.0822
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
52.50827	0.5
53.86256	0.5
53.86517	0.4
54.55713	0.4
59.01389	0.5
59.12815	0.4
60.66382	0.4
64.02464	0.5
65.00321	0.5
71.54574	0.7
85.02950	1.4
93.03474	1.7
95.01388	1.0
96.96022	1.1
98.95647	0.5
99.74006	0.4
101.71776	0.5
107.05051	0.6
109.03012	0.9
111.20429	0.5
119.05050	1.2
128.03580	0.9
133.02962	3.3
135.04532	5.5
143.05009	0.9
145.02997	0.7
158.03741	1.3
159.04517	1.8
161.02448	8.2
162.02669	0.5
163.00798	0.5
169.10275	0.8
171.04524	1.8
172.05307	15.4
173.04517	1.0
173.05838	0.6
174.03238	1.7
175.03969	1.4
176.04036	5.3
176.54266	1.2
177.01865	0.5
179.03510	4.2
183.04546	5.3
184.05168	1.4
185.02383	0.5
185.06120	1.0
185.09769	0.5
186.03235	1.5
186.06909	0.6
187.04227	2.7
187.07666	76.1
188.07990	3.8
189.05600	0.9
191.05669	2.6
192.05827	0.6
196.05325	0.7
197.06131	1.8
198.06773	2.4
199.04007	8.2
200.04756	3.8
201.05478	0.6
204.04286	2.3
211.04114	0.9
211.07620	3.5
213.02058	0.8
213.05739	1.4
213.09238	19.4
213.12466	1.0
214.02814	0.6
214.06413	2.6
214.09444	0.7
215.07152	12.8
216.04178	0.8
216.07568	0.8
227.03525	12.7
228.04308	6.7
229.04944	0.9
229.08734	6.5
231.10275	8.5
232.03674	0.6
239.07213	1.2
242.05847	4.3
246.05284	0.6
256.23825	2.3
257.08215	100.0
257.23877	1.2
258.08472	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	257.0823
Annotation	Hibiscoquinone A
Peak:m/z	Relative Intensity
54.36850	0.7
54.42455	0.7
57.00146	0.7
59.01369	1.6
71.53639	1.1
75.51788	0.6
85.02967	2.6
86.47307	0.6
107.97954	0.6
116.95177	0.7
145.06631	0.8
154.91431	0.7
157.06612	2.4
158.07407	1.7
159.08191	4.5
161.06149	0.7
169.06602	7.6
170.07416	1.0
171.04553	2.7
172.05305	6.5
182.03793	0.8
185.06143	4.4
185.09753	22.3
186.06873	2.9
186.10178	1.4
187.07661	100.0
188.07973	4.2
190.06313	1.1
196.63066	0.7
196.92429	0.9
197.06073	3.3
198.03226	6.5
199.04083	5.5
201.09265	1.3
202.06381	20.0
211.07697	0.7
213.05588	65.0
214.06346	25.4
215.06895	1.8
219.84517	1.2
221.84291	3.3
224.04865	0.9
229.08720	13.4
230.08884	1.0
239.07129	0.7
242.02179	0.7
242.05925	1.3
246.05414	4.8
256.23648	3.9
257.08218	79.5
257.17575	1.6
257.23788	3.6
258.08508	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	257.0823
Annotation	Hibiscoquinone A
Peak:m/z	Relative Intensity
55.73244	1.1
59.01384	2.0
70.17687	2.3
83.05046	1.7
83.12837	1.1
85.01764	1.1
85.02969	6.2
98.20618	1.7
123.34943	1.2
157.06581	3.4
159.08084	3.5
161.06117	1.5
162.71118	1.2
169.06609	7.0
170.07349	1.2
171.04538	7.4
172.05287	11.7
182.03767	3.4
185.06104	3.2
185.09734	22.5
186.06909	5.6
187.07666	100.0
188.08012	4.9
196.05331	1.3
196.92375	2.7
197.06073	9.3
198.03246	7.0
198.06833	1.6
199.04013	6.2
200.47546	1.2
201.09114	1.6
202.06381	17.4
203.06844	1.8
205.33252	1.3
213.05586	66.1
214.06348	23.3
215.06915	2.5
219.84529	7.9
220.84650	3.2
221.84241	14.9
229.08690	17.9
239.07144	2.5
242.05904	1.9
246.05353	2.8
256.23749	8.5
257.08218	98.9
257.17578	2.5
257.21652	1.2
257.23901	7.9
258.08511	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	257.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57430	1.3
58.02980	2.2
69.79743	8.1
70.02966	1.8
72.00895	1.8
74.02477	9.7
82.02985	7.5
84.04552	11.4
85.13689	1.3
86.02477	5.8
94.64540	1.4
98.19941	2.0
101.07208	6.0
108.56062	1.6
112.43941	1.3
126.09296	2.6
127.04418	1.2
127.05167	11.1
128.03557	88.6
128.07208	2.8
129.03841	2.3
138.09288	3.2
145.79814	1.5
167.11913	2.9
169.13484	9.8
195.11382	21.6
213.12469	100.0
214.12825	4.4
257.11475	7.0
259.17194	1.7
275.58255	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	257.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43886	1.2
56.57233	1.3
58.02972	3.4
62.98873	1.2
68.56689	1.2
69.79643	5.3
69.80061	2.6
70.02966	1.6
72.00884	3.5
74.02477	15.0
82.02999	11.8
84.04559	9.6
86.02486	7.2
98.19961	1.3
101.07220	6.7
126.09265	2.9
127.05131	9.4
128.03560	100.0
128.07184	3.5
138.09254	2.7
139.08667	1.4
159.86447	1.3
167.11850	1.5
169.13470	12.5
195.11400	23.4
213.12477	94.0
214.12889	3.1
234.39589	1.3
257.11481	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	257.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90256	2.4
58.02998	3.1
61.87640	2.4
64.32896	2.3
69.58238	15.2
72.00898	4.2
72.04568	4.0
74.02473	14.8
82.02972	13.5
84.04558	12.5
84.23769	2.5
84.38510	2.3
86.02483	6.9
101.07214	6.7
101.90491	2.3
102.47084	2.7
126.09297	2.5
127.05122	11.8
128.03552	100.0
128.07166	4.3
129.03856	3.2
138.09273	5.6
141.11163	4.8
164.16415	2.7
169.10638	3.9
169.13470	10.3
175.47151	2.4
195.11403	23.5
213.12463	95.0
214.12790	5.3
246.77614	2.4
257.08508	3.6
257.11417	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	258.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03448	0.7
63.52690	0.6
67.01902	1.0
69.56852	3.9
72.04559	3.9
80.22066	0.7
81.02209	1.9
81.28230	0.6
82.02990	6.8
83.01394	10.4
85.02925	0.9
91.79192	0.6
98.02471	7.5
98.19920	1.4
99.00891	2.5
103.51064	0.6
111.03265	5.6
121.51696	0.8
127.00385	12.8
128.03528	0.8
130.08751	100.0
131.09099	2.8
140.07199	2.7
140.10851	1.1
142.11369	1.3
142.12384	11.5
150.09254	1.0
152.10812	17.3
152.12015	1.0
153.11278	0.7
168.10323	13.0
168.28555	0.7
170.11893	1.2
194.09982	0.8
196.09802	19.6
203.33430	0.7
212.09300	56.0
213.09711	1.9
214.10861	7.6
232.14256	0.8
233.48878	0.8
240.08792	33.8
241.09224	2.0
258.09827	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	259.0228
Annotation	alpha-D-(+)-mannose-1-phosphate sodium salt hydrate
Peak:m/z	Relative Intensity
59.01384	0.3
69.98995	1.0
69.99325	0.3
71.01387	0.3
78.95912	100.0
80.91174	0.2
80.96545	0.3
86.75455	0.2
96.96973	96.6
98.38403	0.2
101.02444	0.5
131.60046	0.2
138.98044	4.9
151.51701	0.3
156.91075	0.4
168.99033	2.5
178.96014	0.7
181.24477	0.2
183.75539	0.2
196.90797	0.2
198.90501	0.4
198.92128	0.5
199.00148	2.9
214.93642	0.3
216.90645	5.9
217.90665	0.5
219.47282	0.2
223.00134	0.7
240.91545	0.6
241.01242	1.5
258.91742	1.5
259.02255	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	259.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20913	1.5
71.31171	3.4
80.02666	2.0
82.71730	1.8
83.05035	5.9
84.02180	3.8
85.02962	5.8
93.03455	6.8
97.05679	1.8
101.06110	1.9
118.62777	2.0
124.82841	1.7
130.15483	2.2
133.02940	2.8
135.04514	8.5
137.02448	4.0
143.86806	1.7
155.03532	2.5
161.02443	6.1
163.11304	4.8
165.12877	3.3
172.05272	2.3
173.04565	7.0
176.04158	2.6
179.03488	5.2
183.10263	5.1
187.07677	40.8
191.11079	2.0
192.87285	1.9
205.47076	2.0
209.11853	100.0
209.54968	2.1
210.12129	4.7
211.64240	2.1
215.07085	2.8
227.12857	8.7
259.05972	2.6
259.07101	2.3
259.09729	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	260.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
69.03452	1.7
69.63416	4.1
70.35641	0.6
72.04556	2.8
72.73022	0.6
72.97555	2.0
72.99290	0.6
77.44194	0.6
85.02960	24.2
98.20671	1.2
101.02454	15.7
105.00150	1.6
111.04531	1.0
113.02479	1.1
116.14845	0.6
127.04066	1.2
128.03511	0.9
129.01958	92.8
130.02307	2.3
130.08751	100.0
131.09102	1.8
132.99623	1.1
139.03987	3.3
140.10832	0.9
142.11258	1.0
142.12379	15.8
152.10847	0.9
155.10776	0.8
164.71825	0.7
168.10344	2.6
170.11899	6.1
180.10304	1.0
198.11424	1.8
233.04932	0.8
241.75595	0.7
242.10350	14.3
260.11426	21.9
261.11652	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	261.0077
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
56.50091	0.6
70.27611	1.3
70.27962	2.0
72.99316	14.5
75.00868	2.3
75.71983	0.6
79.95740	8.0
80.96516	1.1
81.03464	2.1
91.05505	0.6
93.03469	23.5
96.96030	2.1
107.05046	2.2
116.03488	0.7
119.05041	47.6
120.05379	1.7
134.03787	1.9
135.03511	1.6
135.04538	30.7
136.04868	1.1
137.06042	1.1
147.41110	0.6
163.04025	40.0
164.04346	2.0
165.09724	0.7
175.16841	0.7
181.05083	86.8
182.05368	2.8
194.95290	0.7
199.00719	15.9
200.01018	0.9
215.00192	8.3
261.00754	100.0
262.01077	3.5
277.85568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27739	0.7
55.01898	0.6
56.32934	0.7
58.02987	1.1
59.01124	0.6
59.01378	5.2
60.65754	0.7
66.06360	0.6
70.02988	9.4
70.90800	1.6
71.01379	1.7
72.04552	4.2
74.02482	100.0
75.02814	1.2
83.01391	1.2
84.04549	0.7
85.02970	1.0
98.02490	22.6
99.00887	0.9
101.02490	0.8
101.06090	1.3
102.76639	0.8
116.03550	51.5
128.03534	6.6
132.04568	32.3
133.04910	0.7
139.07681	1.1
144.04581	6.9
155.78677	0.7
157.07634	0.8
160.02408	0.8
173.07257	1.2
175.08789	1.5
201.06731	12.4
217.09953	0.7
219.07840	3.0
235.02922	0.7
243.07849	0.7
261.00650	1.2
261.08841	21.6
261.13217	1.7
261.22260	1.2
262.09177	1.5
270.78473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
60.13910	0.4
61.98846	0.4
63.40796	0.4
71.01409	0.5
71.54624	0.4
90.47930	0.4
93.72798	0.4
104.42636	0.4
118.94214	0.8
125.09703	0.9
134.48402	0.4
136.93991	0.6
178.95090	1.6
187.09741	0.7
204.01848	0.4
204.05835	1.6
217.06587	1.3
218.07361	2.4
219.08080	1.9
231.08215	0.9
232.08766	0.5
245.06065	1.9
246.06882	19.0
247.07224	1.6
259.07718	2.7
260.08429	11.2
261.09216	100.0
261.22125	1.0
262.09558	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	261.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.7
58.56903	0.4
59.01386	4.1
69.28020	2.1
69.28446	1.6
71.01389	18.2
73.02959	0.6
74.02476	1.4
74.79519	0.4
76.65385	0.4
79.69028	0.4
85.02952	0.5
87.00884	1.0
89.02448	1.7
93.98396	0.4
101.02457	1.1
116.03519	0.6
117.09225	0.5
122.52374	0.4
122.97278	0.4
125.09746	3.2
127.11275	2.5
132.03035	0.7
132.04523	0.4
133.06944	0.6
153.09221	0.5
161.04587	0.4
171.10284	100.0
172.10623	2.8
181.12425	0.4
183.10266	0.4
185.11809	0.5
201.11351	11.1
201.13266	0.6
207.10254	0.5
213.11266	2.3
215.12875	1.2
225.11404	3.2
243.12378	1.1
261.04138	0.4
261.13498	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	263.0715
Annotation	R162
Peak:m/z	Relative Intensity
56.35754	0.3
59.01363	0.9
59.89465	0.3
64.91750	0.3
70.34064	0.3
70.52515	0.4
70.52857	0.8
71.01397	0.3
100.53138	0.3
109.06667	0.6
113.83534	0.4
119.08279	0.4
121.03027	0.3
135.43210	0.4
189.07112	0.4
204.05812	3.3
217.06635	1.9
218.07382	60.8
219.08148	88.1
220.05344	2.5
220.08467	5.2
228.17517	0.3
234.06949	0.4
235.07629	1.4
244.08963	0.6
247.04111	0.4
248.04802	3.1
261.09348	0.4
263.07153	100.0
263.10461	3.5
264.07516	6.2
264.11517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.108
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
51.23176	0.2
69.26809	1.9
98.20615	0.4
98.49983	0.2
104.97705	0.2
204.05688	0.3
219.08116	0.5
220.08936	0.3
232.05215	0.5
233.06100	3.9
233.09729	0.7
234.06352	0.3
234.10411	0.2
235.11264	0.2
245.09734	0.4
246.06859	3.0
247.07623	5.1
248.08427	16.6
249.08812	1.1
257.23117	0.3
259.07715	0.3
260.08423	1.7
261.09222	17.6
262.09985	22.9
263.10770	100.0
264.11218	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	263.1079
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
53.95532	0.3
59.01377	0.8
61.77533	0.3
65.65302	0.3
69.27116	2.8
71.01378	0.5
71.43810	0.3
85.02959	0.3
87.47369	0.3
98.20654	0.7
104.10625	0.3
125.27534	0.3
136.53673	0.3
180.94769	0.4
204.05653	0.3
218.07442	0.3
219.08192	0.7
219.13927	0.4
220.08910	0.3
232.05240	0.4
233.06172	0.4
233.09700	0.8
234.10495	0.4
235.11176	0.3
245.09718	0.6
246.06865	2.1
247.07619	4.5
248.08438	10.0
249.08839	0.6
261.09216	13.4
262.09982	27.8
263.10760	100.0
264.11130	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	263.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41539	0.1
56.81728	0.2
59.01372	0.4
60.28181	0.2
62.12636	0.2
70.81234	0.3
70.81570	0.3
101.02486	0.2
112.57632	0.2
116.63369	0.2
140.99301	0.2
160.08940	0.6
162.10551	0.3
200.59541	0.2
205.15944	0.6
211.23604	0.2
219.08249	0.7
219.17577	0.8
220.08907	1.8
221.09750	0.8
233.09779	2.2
235.11281	3.9
235.17009	0.6
236.11905	0.2
245.15421	0.2
247.07664	4.6
247.85927	0.3
248.08432	3.4
261.09213	6.8
262.09827	0.9
263.10791	100.0
263.16513	9.4
264.11133	7.2
264.16922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1079
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
50.56980	0.1
53.72795	0.1
59.60451	0.1
60.52608	0.1
122.89670	0.1
126.44943	0.1
219.08228	0.8
220.08952	4.4
221.09659	1.7
233.09665	0.3
234.10468	0.6
235.11290	1.7
246.06859	0.9
247.07652	10.3
248.08374	4.1
249.08801	0.4
259.07535	0.2
260.08463	0.6
261.09222	5.9
262.09644	0.9
263.10782	100.0
264.11121	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	263.1501
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.13403	0.9
55.01884	11.3
56.02213	1.0
57.03453	7.3
58.00597	4.1
59.01386	61.6
69.03445	1.7
71.01389	82.5
71.54597	1.3
72.99309	6.8
73.02955	37.2
75.00883	2.5
83.01392	26.7
85.02957	50.4
86.00113	3.2
86.03328	1.2
87.00890	4.7
87.09495	1.0
87.87949	0.9
89.02461	6.1
94.86800	1.3
95.01403	4.7
96.96024	1.9
97.02991	1.3
97.23548	1.1
99.00889	16.7
99.08179	2.2
101.02454	100.0
101.09749	2.0
102.02820	1.9
111.00888	2.8
113.02461	37.5
119.03507	1.6
125.02469	2.2
129.01955	2.8
133.18777	1.2
143.03561	2.4
145.08713	1.4
159.02974	7.1
161.04578	19.4
171.10339	1.3
186.26100	1.1
247.66096	1.0
263.07089	2.2
263.10934	1.2
263.14987	21.2
264.15625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02957	0.7
59.01385	3.3
68.56863	0.7
69.65689	3.6
71.01379	2.6
73.96790	0.7
78.03492	0.7
85.02962	2.1
88.78789	0.7
91.01915	0.8
93.03458	1.8
96.96030	1.6
99.04514	1.4
101.02456	2.2
106.04258	1.8
109.02961	1.6
111.00893	1.0
113.02446	1.1
119.05069	1.2
121.02967	3.0
121.13036	0.7
122.02491	8.6
122.62183	0.7
123.04509	1.5
133.02972	8.0
134.03761	100.0
135.04089	1.8
137.02460	18.3
139.04010	5.7
143.03528	8.7
147.04596	1.0
149.02466	2.1
149.06107	23.3
150.01794	0.9
150.03268	1.9
161.02432	1.4
161.04640	0.8
162.03241	6.9
163.04002	0.9
165.01953	3.3
167.03491	1.1
174.03238	5.6
175.11061	0.7
177.01915	1.3
177.05573	4.1
178.02730	50.9
179.03137	2.1
189.05598	23.8
190.06039	0.9
193.05077	77.4
194.05414	2.7
196.16289	0.7
203.03392	1.0
206.02228	21.1
221.04588	18.6
221.09103	1.4
222.04979	1.0
247.06067	0.9
265.03534	5.4
265.07071	7.2
265.12341	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	265.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69909	1.0
54.52227	1.0
54.99398	1.0
57.20435	1.0
59.01387	2.0
77.92243	1.2
80.17767	0.9
96.96010	1.2
98.20718	2.1
99.04528	12.0
115.04049	5.2
121.02972	53.7
122.03259	1.8
143.03519	100.0
144.03883	2.4
150.03075	1.1
152.63364	1.3
201.98331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01333	0.8
66.67735	0.3
71.01329	0.3
71.54102	0.4
72.99249	0.3
77.80788	0.3
79.84431	0.3
85.02895	0.3
89.41795	0.3
96.95834	0.3
163.03976	0.9
163.83812	0.4
177.01950	0.4
180.05826	0.5
193.06570	0.6
194.07356	0.4
197.80496	0.3
204.05756	0.8
205.06912	0.3
207.04547	0.6
219.04399	0.5
219.08128	0.5
220.05304	0.5
221.06053	2.8
221.09659	0.4
222.06808	0.8
223.07747	1.0
232.05307	8.3
233.05888	0.9
235.03978	4.9
235.07680	0.4
236.04106	0.4
237.05580	0.8
246.07080	0.3
247.07680	2.1
248.04816	6.0
248.08423	1.9
249.05582	68.3
250.06351	100.0
251.06717	5.9
264.04300	2.2
264.07886	0.9
265.08725	37.9
265.12198	3.5
266.09131	2.1
282.05374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0872
Annotation	Typharin
Peak:m/z	Relative Intensity
59.01379	1.8
69.29945	3.6
71.01385	1.1
98.20713	0.7
111.04507	0.7
135.04512	0.5
163.04018	1.2
204.05832	0.6
206.07397	2.0
211.07610	0.6
217.06554	1.0
219.08127	1.6
220.08949	19.6
221.09720	94.4
222.06848	1.4
222.10059	5.9
230.07387	1.0
231.08138	3.9
232.05267	1.7
232.08948	20.4
233.09253	1.1
235.07610	2.7
236.08350	1.0
237.09206	6.7
244.09006	0.9
245.09729	7.6
246.06813	0.9
246.07753	0.7
246.10507	14.0
247.07608	1.7
247.11266	20.9
248.04803	2.2
248.08408	3.8
248.11496	0.9
249.05559	13.1
249.08350	0.8
249.09268	0.9
250.06352	23.2
251.06703	2.0
263.07135	5.5
263.09866	0.7
264.07898	7.3
265.08719	100.0
265.12332	90.4
266.09088	6.8
266.12680	5.2
278.09512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0872
Annotation	Typharin
Peak:m/z	Relative Intensity
69.43492	0.4
71.53053	0.5
82.02396	0.4
84.28288	0.4
193.10158	0.5
220.08989	3.0
221.09720	100.0
222.10046	4.6
223.07600	0.8
224.08325	0.5
235.07625	8.1
235.11205	0.8
237.09244	0.6
247.11287	14.3
248.11543	0.8
249.09201	1.3
250.10025	1.8
252.07877	0.8
253.08710	0.9
263.10767	1.4
264.11557	3.6
265.08707	55.9
265.12305	30.2
266.09091	3.6
266.12668	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	265.1237
Annotation	Magnolol
Peak:m/z	Relative Intensity
61.18597	0.2
64.81303	0.2
70.79020	0.4
70.79371	0.3
74.49781	0.2
85.58104	0.2
101.37705	0.2
117.15655	0.2
194.07550	0.2
203.08591	0.2
210.10558	0.2
211.07697	1.0
217.06537	1.0
220.08926	1.1
221.09726	3.3
222.10497	1.3
225.09279	0.9
230.07376	1.1
231.08134	3.3
232.08940	29.0
233.09253	1.9
237.09413	0.2
244.08891	0.6
245.09723	7.8
246.10507	19.9
247.11276	36.2
248.11604	2.4
250.06288	0.2
250.09979	0.4
254.09479	0.2
263.10757	0.3
265.08936	6.3
265.12335	100.0
266.09424	1.5
266.12643	8.2
278.09500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1235
Annotation	Juncutol
Peak:m/z	Relative Intensity
58.28331	0.2
59.01363	0.2
71.22671	0.1
71.53510	0.2
78.95890	0.2
147.36531	0.2
221.09831	0.2
232.08911	0.2
234.06908	0.5
235.07649	4.1
236.07988	0.2
247.11253	0.7
248.08424	2.4
249.09132	2.7
250.10014	12.3
251.10410	0.8
254.39645	0.2
261.09177	0.8
262.10071	2.0
263.10812	8.6
264.11560	30.2
265.12338	100.0
266.12692	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
64.67627	0.1
71.08738	0.3
89.02476	0.1
96.96033	0.2
101.02480	0.2
163.04024	0.2
221.09721	0.2
222.06982	0.2
232.08922	0.2
234.06863	0.5
235.07713	0.6
245.09586	0.2
247.07640	0.2
247.11235	0.9
248.08437	2.8
249.09096	2.3
250.10007	5.5
251.10309	0.3
261.09280	0.6
262.10065	1.9
263.10776	7.7
264.11566	23.9
265.12338	100.0
266.12689	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	265.1236
Annotation	Magnolol
Peak:m/z	Relative Intensity
55.62639	0.1
63.99949	0.1
69.93104	0.4
69.93519	0.2
77.85892	0.1
80.45892	0.1
132.12341	0.1
133.18831	0.1
138.99007	0.1
193.06554	0.2
194.07433	0.3
206.07353	0.1
207.08167	2.2
208.08891	0.5
209.09637	0.2
220.08916	0.4
221.06137	0.3
221.09734	5.6
222.06853	0.3
222.10481	4.5
223.07593	0.2
223.11104	0.6
233.09651	0.1
234.06856	0.8
235.07654	2.1
235.11349	0.4
236.08333	0.4
236.12038	0.4
237.09085	0.2
237.12804	0.8
238.09949	0.1
247.07607	1.0
248.08392	1.3
249.09227	13.2
250.09981	9.8
251.10382	0.8
261.09171	0.2
263.10788	5.3
264.11401	1.1
265.12347	100.0
266.12689	8.4
281.64035	0.1
282.08887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1235
Annotation	Magnolol
Peak:m/z	Relative Intensity
59.01377	0.5
69.29092	0.2
69.29398	1.6
71.01363	0.3
73.76711	0.2
76.77044	0.1
82.36683	0.2
85.02988	0.2
101.02447	0.2
104.70610	0.2
123.13761	0.2
135.04536	0.3
163.04062	0.3
203.14597	0.2
207.08176	0.5
219.08147	0.2
220.08865	0.3
221.09789	1.1
222.10443	0.5
235.07683	1.4
235.11517	0.2
236.08365	0.4
237.09299	0.4
241.57809	0.2
247.07622	1.4
247.13371	0.2
248.08408	3.2
249.05411	0.3
249.09209	4.5
250.06358	0.5
250.09998	2.5
261.09189	0.6
262.09900	0.4
263.10788	17.1
264.08188	0.3
264.11084	1.6
265.12341	100.0
266.12683	7.3
282.09052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	9.6
56.34755	1.1
57.03464	7.0
57.03690	1.2
58.00586	3.8
59.01387	92.8
63.54205	1.1
70.98294	2.7
71.01392	100.0
72.99313	5.5
73.02955	24.3
75.00882	2.3
83.01390	12.4
84.02167	1.4
85.02963	42.7
87.00883	5.3
87.02782	1.9
89.02458	38.2
95.01405	9.4
97.02974	3.2
99.00882	12.8
101.02456	86.0
103.07648	1.9
107.03666	1.3
111.00893	2.2
113.02464	45.3
113.29114	1.3
119.03495	16.0
122.02509	2.6
134.04745	26.3
137.02472	1.5
143.03511	5.1
159.03029	8.4
161.04575	35.4
173.08234	1.5
176.79929	1.3
179.05640	1.4
221.09171	4.4
265.12885	33.5
266.09207	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	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16464	1.2
55.01883	8.3
55.49385	1.1
57.03466	5.9
58.00592	3.8
59.01386	100.0
70.80616	3.2
71.01389	96.8
72.01743	1.6
72.99316	3.4
73.02958	27.3
73.92381	1.1
74.01536	1.2
75.00888	2.9
83.01398	16.3
83.23113	1.1
85.02957	39.4
87.00893	3.6
89.02457	39.2
91.43921	1.2
95.01409	8.7
97.02959	1.4
99.00900	10.8
101.02451	82.5
102.02858	1.2
103.07656	3.0
111.00876	2.9
113.02460	37.1
119.03522	15.1
125.02484	2.0
129.01941	3.0
131.03578	1.3
134.04730	7.8
143.03523	4.9
159.02972	7.3
161.04573	36.9
164.38431	1.2
184.39026	1.1
202.78226	1.2
221.09145	1.5
265.12939	28.5
266.13205	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68865	0.3
67.52572	0.2
70.82990	0.4
70.83337	0.6
77.11524	0.3
79.95740	2.2
80.96503	0.3
81.92472	0.3
83.80126	0.3
95.95232	0.6
96.96022	100.0
141.53096	0.3
198.89629	0.3
265.14798	89.4
266.15131	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	265.2176
Annotation	Hydroprene
Peak:m/z	Relative Intensity
51.22336	0.7
53.80995	0.9
59.01381	2.1
70.59930	0.8
70.60291	2.2
71.01379	1.2
79.95747	0.9
96.96023	42.8
101.02438	1.1
101.57760	0.7
134.25400	0.7
135.04549	1.1
141.58934	0.8
163.04007	2.3
178.06345	1.3
196.57556	0.7
197.53055	0.8
249.09172	1.5
250.10051	1.6
265.12311	18.7
265.14832	29.5
265.21735	100.0
266.15100	2.0
266.22037	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	266.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
63.27403	0.7
64.25417	0.8
70.72526	2.3
71.01389	1.9
71.96486	0.8
76.25697	0.8
78.03498	3.8
79.95744	4.9
82.03004	1.6
85.02963	1.6
94.02949	0.7
95.95250	2.2
96.96023	34.9
98.02475	0.9
99.00943	1.0
99.04530	10.2
100.04054	1.5
101.02444	0.9
108.02172	4.2
110.97557	1.4
111.04597	0.8
115.03986	1.0
121.02999	1.9
122.02496	97.2
123.02852	2.5
123.04536	2.3
129.01964	1.7
132.02063	0.8
133.02968	4.1
134.03732	7.0
134.04736	1.7
135.04076	8.7
136.01697	1.5
137.02454	2.4
143.03514	100.0
144.03810	2.3
149.06100	2.2
150.06462	2.1
151.03990	1.0
160.01663	2.6
163.03679	1.3
175.03990	2.5
177.01939	2.2
178.02695	1.3
179.03172	3.9
190.05856	2.1
193.05043	2.6
194.05405	6.1
196.32159	0.9
207.02556	2.1
220.09818	5.3
222.04904	1.7
248.09299	2.2
252.06416	3.1
259.03015	1.4
266.06851	1.3
266.10413	4.3
267.02771	5.7
267.06509	2.6
267.08804	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	266.0895
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01384	0.4
70.48382	0.5
71.01402	0.3
72.99306	0.2
75.00856	0.2
80.02563	0.2
89.02469	0.2
92.02550	1.7
94.62891	0.2
107.03645	4.9
113.02480	0.2
122.02466	0.2
128.03543	0.2
134.04742	100.0
135.05215	1.6
150.01770	0.2
171.77164	0.2
223.10587	0.2
249.08569	0.5
266.08966	9.0
267.07129	0.5
267.09579	2.1
289.95135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0727
Annotation	formycin b
Peak:m/z	Relative Intensity
53.27956	0.4
55.01878	1.0
57.03452	4.6
57.45415	0.4
58.00587	1.0
58.05686	0.4
59.01383	28.8
67.01901	0.9
67.22066	0.4
68.99804	0.7
69.03446	0.7
71.01389	39.8
71.22015	0.5
71.22343	0.4
72.99310	4.6
73.02955	1.0
75.00877	17.9
78.95892	2.0
83.01403	1.0
84.02190	0.6
85.02958	38.3
87.00884	15.7
89.02454	12.7
91.04000	1.7
95.01393	6.5
96.96013	0.8
99.00275	0.7
99.00894	10.9
99.04553	0.6
101.02443	1.4
103.00381	3.4
105.01915	0.6
111.00877	0.6
112.01668	1.2
113.02462	49.6
114.02782	0.7
115.00412	2.7
117.01948	3.7
129.01947	2.2
131.03511	1.6
132.02985	0.7
137.66342	0.5
149.04555	0.7
152.91745	1.3
157.01451	1.4
159.61635	0.5
169.01674	0.5
175.02475	1.8
178.96088	0.6
205.07202	0.8
207.05095	2.1
216.87294	0.5
248.84596	0.6
249.06133	5.5
267.07224	100.0
267.94507	0.9
268.07544	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	267.0876
Annotation	Disperse Blue 1
Peak:m/z	Relative Intensity
57.44680	0.6
59.01393	4.7
59.37406	0.7
69.42194	2.5
69.42625	2.2
71.01366	1.0
72.00150	0.6
91.04015	2.3
95.05033	1.1
98.20641	0.9
105.03456	8.4
114.37667	0.7
117.03478	1.1
119.05024	0.7
121.02976	3.3
123.04472	0.8
132.02193	10.4
133.02968	75.9
134.03766	39.7
135.04468	2.0
137.02415	2.1
146.03714	0.8
147.04573	1.2
148.05309	4.8
149.06094	29.4
150.06387	1.6
160.01668	52.8
161.02153	1.9
175.04010	48.1
176.04431	1.6
177.01952	21.3
177.05550	1.3
178.02452	1.2
179.03485	4.6
193.05072	32.5
194.05434	1.2
221.04485	3.4
224.93855	0.6
239.06978	0.8
244.95924	0.7
249.07640	0.9
252.06386	64.2
253.06711	2.7
267.08728	100.0
268.09106	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	267.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.4
64.63485	0.3
69.79190	1.3
69.79587	0.6
71.01420	0.5
73.46100	0.4
79.95758	0.5
86.94344	0.4
96.01173	0.3
125.86080	0.4
133.02968	0.6
149.06100	0.4
160.01683	0.5
160.05260	0.7
166.44508	0.4
170.58838	0.4
175.04022	0.6
183.08168	1.0
193.04982	0.5
193.50426	0.4
197.09744	0.8
205.06444	0.6
206.07304	0.6
211.07791	0.5
219.07977	0.4
221.09744	0.8
222.06969	0.7
223.07617	2.0
224.08426	2.6
225.09178	0.9
232.05328	0.8
233.06058	1.5
234.06848	6.2
237.05638	0.7
237.09192	5.3
238.09874	1.1
239.10765	2.1
247.07631	5.3
248.05757	0.6
248.08432	19.5
249.09213	46.2
250.07130	0.6
250.09488	2.8
251.07152	4.8
252.08023	0.9
265.08640	0.5
267.10281	100.0
268.06671	0.3
268.07498	0.4
268.10648	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	267.1029
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
52.52260	0.2
55.47412	0.2
69.21262	0.2
69.47200	0.9
69.47608	0.3
69.53738	0.2
97.02962	0.2
125.65046	0.2
128.34875	0.2
130.80249	0.2
170.23373	0.2
174.24425	0.2
183.04576	0.3
183.08087	0.2
187.07666	0.2
195.08025	0.2
196.05313	0.5
197.09666	0.3
206.07423	0.6
207.08138	0.5
209.06093	0.5
210.06863	1.2
211.07648	0.9
212.04890	0.3
213.05598	0.8
219.08167	0.6
221.09737	0.7
222.06833	0.6
223.07674	1.6
224.04868	0.4
224.08508	0.4
225.09219	1.4
232.05324	1.1
233.06071	2.6
234.06868	8.1
235.07314	0.4
237.09157	1.1
238.06290	0.3
238.10048	0.2
239.07135	1.0
239.10817	1.5
246.06969	0.2
247.05223	0.4
247.07648	5.1
248.05743	0.4
248.08434	19.4
249.09209	44.3
250.06581	0.4
250.09544	2.2
251.07170	0.8
252.07884	0.6
265.08749	1.0
266.09235	0.5
267.10275	100.0
268.10611	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	267.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
59.19199	0.1
61.16287	0.1
69.36369	0.7
69.36784	0.4
72.17512	0.1
78.77203	0.1
92.80412	0.1
105.08189	0.1
113.02438	0.2
118.21186	0.1
121.03005	0.2
161.04547	0.2
185.18309	0.1
209.06161	0.2
209.09821	0.1
222.06839	0.2
223.04111	0.2
223.07712	0.9
224.08434	1.6
235.07683	0.2
236.08411	0.4
237.05595	0.2
237.09196	2.1
238.09990	5.3
239.10728	2.0
249.09102	0.3
250.06332	0.4
251.04550	0.1
251.07124	1.3
252.04353	0.3
252.07896	4.8
253.08234	0.3
264.07828	0.3
265.08725	4.3
266.09479	9.2
267.10266	100.0
268.10608	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	267.1029
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
64.01211	0.2
69.86970	1.0
113.18941	0.2
120.07613	0.2
204.77740	0.2
221.57683	0.3
223.07693	0.8
224.08466	1.9
236.08415	0.6
237.09206	1.8
238.10002	5.6
239.10742	1.6
244.12404	0.3
245.49019	0.2
250.06314	0.3
251.07060	1.2
252.07979	4.7
264.07892	0.2
265.08701	4.2
266.05121	0.3
266.09509	9.2
267.10278	100.0
268.10623	8.4
272.06870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.103
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
57.03449	0.3
59.01377	0.6
78.29685	0.3
89.02453	0.3
95.91821	0.2
107.01383	0.3
109.02893	0.3
118.09399	0.3
121.02979	0.6
130.07559	0.2
133.03003	0.4
149.06216	0.2
159.08185	0.3
175.03955	0.4
195.04565	0.3
205.12370	0.4
206.07448	0.3
207.08057	0.3
221.09773	0.6
222.06856	0.5
223.07576	1.0
223.13416	24.4
224.08424	3.1
224.11824	0.3
224.13629	1.2
225.09198	0.9
234.06880	0.8
236.08482	0.3
237.09216	2.2
238.10008	12.7
239.07237	0.4
239.08119	0.4
239.10788	8.1
240.11139	0.5
249.09163	2.5
249.14879	0.7
250.06451	0.4
250.10040	0.7
251.03731	0.3
251.07246	1.3
252.04277	1.1
252.08023	5.0
253.08241	0.4
265.08627	0.5
266.09512	3.8
267.10269	100.0
268.10605	7.0
268.13361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50937	0.3
51.52685	0.2
53.63943	0.2
55.91696	0.3
57.03449	0.3
57.29261	0.3
83.95135	0.3
88.33518	0.3
88.34676	0.3
89.27761	0.3
90.72791	0.3
93.02274	0.3
98.96209	0.3
133.03011	0.3
206.68515	0.3
208.05341	1.3
219.04573	0.8
221.06068	0.9
221.09738	0.5
222.06885	4.9
223.07671	14.8
224.08070	0.7
225.09256	2.0
233.06076	2.3
234.06865	11.6
235.07298	0.8
237.09212	0.6
247.07660	1.4
248.08434	8.4
249.09224	24.8
250.09663	1.6
251.07173	6.6
252.04291	0.6
252.07918	3.7
266.09476	0.4
267.10287	100.0
268.10611	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	267.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
69.61365	0.2
83.85517	0.2
83.99439	0.2
85.36166	0.2
99.55544	0.2
101.02451	0.3
105.84214	0.2
133.03000	0.3
180.05800	0.3
194.07297	0.2
195.08237	0.4
198.30704	0.3
205.06761	0.3
206.07277	0.3
208.03673	0.2
208.05286	1.5
219.04550	0.9
221.06110	1.0
221.09515	0.2
222.06879	4.8
223.07658	13.6
224.08092	1.1
225.09242	1.8
229.00821	0.2
233.06102	1.6
234.06873	10.6
235.07202	0.7
237.09195	0.4
239.07076	0.3
239.10854	0.4
247.07642	1.4
248.05829	0.2
248.08429	8.8
249.09219	24.3
250.09610	1.5
251.07130	4.9
251.09557	0.4
252.04297	0.6
252.08025	2.0
265.08716	0.3
266.09515	0.5
267.10284	100.0
268.10648	7.0
282.28055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Genistein
Peak:m/z	Relative Intensity
53.38704	0.1
59.01398	0.2
63.02402	6.7
64.02727	0.2
65.00013	0.3
65.00329	2.9
65.00629	0.1
69.80445	0.7
79.01877	0.2
80.89094	0.1
81.03478	0.2
83.01393	0.5
85.02982	0.1
85.46554	0.1
89.00349	0.2
90.44261	0.1
93.03474	1.1
102.09181	0.2
104.29788	0.1
105.03461	0.5
107.01400	3.9
117.03477	12.0
118.03815	0.3
121.02945	0.8
135.04530	1.0
141.03485	0.2
149.02448	2.6
151.00377	2.6
155.05055	0.6
157.06543	0.3
158.03714	0.2
159.04552	3.8
160.04909	0.2
161.02448	1.9
169.06586	0.7
171.04492	0.4
171.10388	0.2
173.06084	0.3
179.94618	0.2
180.05789	0.7
181.06583	1.1
182.03690	0.4
183.04517	1.6
185.02458	0.2
193.81094	0.2
195.04488	0.2
196.05327	0.8
197.06146	1.5
199.04007	0.4
201.05603	1.0
203.03564	0.2
213.05624	0.3
224.04729	0.7
225.05615	2.6
227.03525	1.0
227.05411	0.2
241.05171	0.2
251.09879	0.2
254.05850	0.2
262.90695	0.2
268.03983	0.2
269.04572	100.0
269.21207	0.6
270.04901	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	269.0458
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.66496	0.1
63.02402	1.5
65.00331	3.6
81.03459	0.2
83.01395	1.8
93.03466	0.4
105.03471	1.2
107.01401	6.4
108.01739	0.2
117.03477	25.3
118.03808	0.8
121.02982	1.4
139.04056	0.2
141.03491	0.2
148.01637	0.2
149.02454	9.6
150.02806	0.3
151.00383	11.2
152.00752	0.2
157.06606	0.3
159.04559	2.3
161.02469	0.1
169.06604	0.4
178.18596	0.1
180.05798	0.7
180.07208	0.1
181.06580	1.7
182.03772	0.2
183.04518	1.7
185.02463	0.5
196.05327	0.4
197.06177	0.7
199.71785	0.1
201.05595	2.0
210.20467	0.1
211.16119	0.1
213.05626	0.2
224.04799	0.6
225.05591	4.1
225.14973	0.2
226.02663	0.1
226.05946	0.1
227.03471	2.0
241.05092	0.4
269.04568	100.0
270.04892	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	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36750	0.2
59.51243	0.2
63.02403	5.4
65.00008	0.3
65.00327	2.7
69.34887	0.4
69.35292	1.2
83.01401	0.6
85.36395	0.2
89.83213	0.2
92.27274	0.2
93.03477	1.1
98.19936	0.4
105.03462	0.5
107.01400	4.3
109.02944	0.2
117.03480	12.6
121.02937	0.6
133.02956	0.6
135.04550	0.8
141.03500	0.2
149.02460	2.9
151.00381	3.0
155.05081	0.4
157.06612	0.2
159.04530	3.4
161.02483	1.5
169.06625	0.9
171.04614	0.5
175.00510	0.2
180.05853	0.4
180.75246	0.2
181.06586	0.8
182.03728	0.6
183.04504	1.4
184.04977	0.3
196.05290	0.5
197.06071	0.9
199.04037	0.3
201.05591	1.5
213.05702	0.3
224.04805	0.7
225.05597	2.6
225.09200	0.2
226.02727	0.5
226.05959	0.3
227.03545	1.0
228.14536	0.2
241.05260	0.3
254.05814	0.3
269.04572	100.0
269.21167	0.6
269.24844	0.3
270.04907	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	269.0823
Annotation	3,4
Peak:m/z	Relative Intensity
53.86547	0.3
59.01371	0.3
66.90697	0.3
68.99839	0.4
87.00886	0.4
98.20668	0.8
128.40280	0.3
162.95117	0.3
180.05760	0.7
181.06560	0.4
185.06160	0.3
194.07307	0.5
195.08183	0.8
196.05363	0.4
197.06099	0.5
198.06851	0.6
199.07655	1.3
207.08246	0.3
208.05295	3.3
211.07657	0.9
213.09148	0.4
221.05994	0.9
222.06886	6.5
223.07664	6.7
224.04762	0.6
224.08105	0.7
225.05600	0.9
225.09439	0.3
226.06284	1.0
227.07190	0.6
228.98386	0.4
236.04807	4.2
239.07126	4.9
240.07730	0.7
241.08716	3.5
250.06364	6.0
251.07150	44.8
252.07489	2.9
254.05774	0.6
267.06665	0.6
269.08212	100.0
269.21289	0.8
269.24747	0.6
270.08563	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	269.0822
Annotation	3,4
Peak:m/z	Relative Intensity
58.40696	0.3
59.01366	0.7
60.11423	0.3
71.54963	0.5
85.02903	0.4
88.08969	0.4
96.95985	1.5
117.03461	0.6
137.02463	0.7
162.03160	0.5
181.06621	0.4
182.03775	0.4
185.06053	0.5
186.95665	0.3
188.08411	0.3
194.07449	0.5
195.08073	0.7
196.05219	0.4
197.06091	0.5
199.07664	0.8
205.06430	0.4
208.05278	1.8
209.06003	0.4
211.04060	0.5
211.07706	2.0
213.09106	0.9
218.96506	0.3
221.06010	0.6
222.06862	5.1
223.07649	8.0
224.04863	0.5
224.08160	0.9
225.05635	3.1
225.09219	0.6
226.02710	1.0
226.06282	1.3
227.07024	0.6
233.06010	0.4
234.06512	0.3
236.04900	1.8
239.07127	3.1
240.07707	1.2
241.05040	0.4
241.08688	4.4
242.09111	0.6
249.05530	0.5
250.06346	3.3
251.07141	47.2
252.07500	3.0
253.04990	1.0
254.02444	0.4
254.05836	1.6
255.03242	0.4
255.06633	0.4
262.51724	1.1
267.06665	0.4
269.04764	5.5
269.08206	100.0
269.21289	1.7
269.24802	1.4
270.02863	1.0
270.08539	6.9
284.03268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1186
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
50.52861	0.1
57.03463	0.2
63.53013	0.1
71.54266	0.1
79.34939	0.1
92.16156	0.1
115.42449	0.1
185.09781	0.2
194.93091	0.1
207.08270	0.2
209.06088	0.1
209.09750	0.3
210.06886	2.9
211.07608	1.9
212.08177	0.2
221.06110	0.7
221.09807	0.2
222.06863	0.2
223.07648	1.4
223.11206	0.2
224.08440	11.8
225.09218	18.6
225.37418	0.1
226.09621	1.3
227.10730	0.8
234.07062	0.2
235.07655	1.5
236.08437	12.0
237.08830	0.8
239.10887	0.2
248.08504	0.2
249.06804	0.2
249.09238	2.2
250.09988	7.5
251.10782	26.2
252.11118	1.9
253.08711	3.0
253.11375	0.1
254.09187	0.5
267.10193	0.2
267.50671	0.1
268.11026	0.2
269.11835	100.0
270.12186	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	270.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	2.2
69.50891	11.5
79.10265	1.8
81.02212	18.5
82.02993	62.8
86.14404	1.8
87.00900	2.7
91.32247	1.7
94.06644	11.4
98.02490	39.7
99.00871	2.9
101.02434	2.2
107.05038	2.0
121.05338	4.4
122.06150	2.6
122.09776	5.3
135.06912	7.3
137.04871	5.2
138.05626	3.5
139.07623	7.2
147.03259	10.4
148.07681	37.5
150.09261	100.0
151.09622	3.6
155.42566	1.8
166.07393	3.5
166.08759	45.8
176.07181	84.1
177.07556	3.1
184.09790	3.2
194.08266	27.6
210.07738	52.6
226.10873	27.8
238.07219	53.1
241.05072	2.8
243.86850	1.9
256.07449	3.0
270.09836	8.0
270.21292	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	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01362	0.4
69.99174	0.2
70.66272	0.6
98.20389	0.5
108.02187	0.6
125.02437	0.7
135.44394	0.3
172.51207	0.2
209.19189	0.3
211.20760	1.6
211.80202	0.2
225.22220	1.2
253.21689	1.6
269.21249	1.0
271.22794	100.0
272.23129	7.9
287.84357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0772
Annotation	fusarubinaldehyde
Peak:m/z	Relative Intensity
58.16860	0.4
59.01369	0.7
70.62723	1.0
70.63099	1.0
71.01384	1.3
89.03976	2.3
93.03484	1.2
117.03507	0.6
118.04233	2.2
130.04250	1.6
132.02214	0.7
134.03770	0.9
148.01663	3.9
160.01634	1.5
161.02460	9.7
162.03265	2.7
173.02441	2.4
174.03250	4.6
175.03929	1.0
176.01175	12.3
177.01793	0.5
187.04034	1.1
188.04829	0.7
189.01958	4.0
190.02728	16.7
191.03156	0.8
191.05627	1.1
198.03229	0.9
201.01949	30.1
202.02725	11.1
203.03186	0.7
203.07080	0.5
205.01427	0.7
211.04024	0.8
213.05501	0.7
215.03519	24.5
216.00763	4.6
216.04271	14.3
217.04843	0.8
217.08540	0.5
218.02121	0.6
222.01706	1.3
227.07149	0.8
229.04991	2.4
243.06548	0.5
244.07368	0.5
245.08197	100.0
246.08537	6.0
255.06607	1.0
255.72858	0.4
259.79059	0.5
273.07706	80.0
274.08072	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	273.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55370	1.9
50.55649	1.9
55.01862	2.0
55.05484	2.0
58.02961	2.8
69.58212	4.8
69.58614	9.3
71.01375	3.4
72.00916	7.8
72.04556	3.4
74.02470	9.6
77.14034	2.4
78.95909	7.4
82.02988	13.1
82.06629	5.7
83.05033	19.3
84.04556	9.3
85.02928	2.7
86.79115	2.2
96.96012	2.2
98.02498	2.8
98.19890	2.7
99.05649	3.2
100.04077	2.9
101.07197	4.6
109.04081	9.1
110.02432	2.2
110.06132	4.6
110.27738	2.0
110.98559	5.0
111.67770	2.0
125.03513	4.7
126.05639	2.4
127.04019	87.3
127.05133	34.5
128.03563	100.0
128.04402	3.4
144.06697	20.0
145.06213	58.2
153.60805	1.9
155.11935	4.7
157.87442	2.1
181.09814	7.3
185.02777	2.0
185.09392	3.8
193.09830	8.8
199.10858	10.6
204.21695	2.0
211.10902	22.2
229.08546	2.7
229.11966	42.4
237.08772	6.2
255.09816	3.5
256.08331	2.9
273.03809	9.4
273.08261	2.5
273.10797	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	273.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	4.0
59.01377	3.2
67.01894	2.5
69.23969	3.0
69.24374	12.6
71.01384	4.3
72.00917	6.6
72.04560	3.1
74.02488	5.4
78.95913	20.3
81.03488	1.9
82.02985	11.6
82.06636	4.2
83.01402	1.7
83.05027	14.1
84.04538	8.1
85.02985	6.9
86.02499	2.3
87.00877	2.8
89.99232	1.6
96.04556	3.6
97.03002	1.6
99.04527	3.0
99.05667	1.9
100.04093	1.6
101.02447	3.4
101.07211	6.4
107.02533	1.8
109.04107	7.8
110.06141	4.3
110.98549	14.0
112.04068	2.7
113.02495	1.5
116.07169	2.1
120.99612	1.6
125.02486	1.7
125.03559	4.3
126.05622	4.3
127.04036	79.8
127.05140	30.5
128.03554	100.0
129.01985	12.8
141.06689	1.7
142.05080	1.8
144.06699	18.8
145.06209	52.4
146.08263	3.2
153.91197	1.5
154.08693	2.1
155.11911	5.3
167.12000	2.6
173.04565	5.0
181.09837	4.4
193.09775	10.2
195.03282	1.7
199.10992	8.8
208.70271	1.8
211.10928	20.2
229.11971	28.0
230.12491	1.8
237.08820	4.0
241.01260	3.7
255.09970	3.8
256.08337	13.5
273.03870	22.8
273.07037	1.9
273.08325	2.3
273.10846	11.5
274.09390	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	273.1348
Annotation	oscr#7
Peak:m/z	Relative Intensity
56.06574	0.9
57.03458	2.1
59.01378	2.1
65.49487	0.9
69.71613	5.4
71.01373	3.3
71.05014	2.2
73.02930	1.4
79.17188	1.0
79.57143	1.1
83.01376	1.8
83.05016	1.1
85.02947	3.0
87.21944	1.1
88.59045	1.0
93.03478	1.4
97.06603	1.9
101.02450	1.8
121.02956	1.5
122.97585	2.8
125.09710	3.8
127.11275	1.4
155.10770	1.2
165.09163	1.1
171.10284	13.6
173.04524	3.1
193.12309	4.4
199.13350	1.7
201.11349	4.8
209.11845	4.5
211.13408	28.2
212.13779	1.9
213.11320	2.9
219.10240	5.1
227.12950	4.4
229.14474	14.8
237.11349	15.9
238.11739	1.4
255.12407	36.7
255.15111	2.0
256.12506	1.8
273.03882	1.8
273.07755	2.8
273.13464	100.0
274.13791	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	275.2019
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
54.73900	3.2
59.01375	6.9
71.43467	2.9
72.13789	3.4
80.99324	2.7
106.64882	3.2
116.50690	3.2
123.33418	3.3
220.69975	3.6
231.21196	100.0
232.21500	8.7
257.90939	3.5
275.09375	4.8
275.20242	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	276.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33201	1.5
59.01381	6.5
71.54349	1.8
80.99323	1.4
91.05544	2.4
97.02974	1.8
118.06654	2.2
121.02942	2.4
128.07193	37.1
152.91756	8.6
156.70570	1.6
194.92810	13.6
232.13435	100.0
233.09738	5.3
233.13733	6.1
241.69110	1.3
249.09308	2.3
276.93170	2.5
277.08740	15.2
277.21643	8.4
299.95172	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	276.9183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33878	0.3
59.01377	0.5
60.97873	0.3
63.90454	0.4
69.21999	2.4
69.22408	0.8
72.99290	0.3
78.63699	0.4
78.95911	19.0
90.98078	0.4
92.96017	0.6
96.96018	8.1
96.96958	5.1
132.99097	0.5
134.96196	1.1
134.97069	22.9
135.97124	0.8
136.94022	100.0
137.94096	6.0
158.92537	0.7
176.98117	7.0
177.98283	0.6
178.95076	3.4
179.01169	0.9
194.93039	0.6
201.47433	0.3
216.89682	78.9
217.89745	4.8
218.93060	0.8
220.94719	0.8
232.99809	0.4
234.90742	17.6
235.90869	1.1
247.87000	0.7
248.87056	0.4
258.91635	0.5
276.91907	1.7
276.98587	20.6
277.21686	0.9
277.98392	1.4
294.94769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0871
Annotation	Caledonixanthone B
Peak:m/z	Relative Intensity
59.01390	0.7
70.80890	0.3
70.84768	0.8
71.01395	0.5
78.95924	0.4
80.69543	0.3
87.82320	0.3
89.00342	0.3
93.40160	0.3
105.00829	0.3
119.07477	0.3
121.02971	1.0
136.93898	0.3
152.91783	4.1
167.90413	0.6
191.08636	0.6
194.07433	0.5
194.92812	5.8
194.95529	0.7
205.10286	0.5
209.06168	1.9
210.06865	0.4
212.93974	0.6
218.07436	0.4
219.04536	0.9
222.07005	0.4
233.09734	49.1
234.06747	1.5
234.10080	3.0
235.07672	0.8
237.05666	0.4
247.04091	0.3
249.05609	0.4
249.09258	0.9
256.96259	0.3
261.05768	0.4
262.06393	3.2
277.08716	100.0
277.21695	4.1
278.09048	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	277.0871
Annotation	1,2-Dihydrotanshinone
Peak:m/z	Relative Intensity
55.31297	0.3
59.01367	1.2
60.93675	0.3
71.01373	0.7
71.53505	0.5
72.34984	0.3
78.51105	0.3
78.95906	0.4
94.77032	0.3
101.00245	0.3
101.27045	0.3
103.84562	0.4
120.25755	0.3
121.02959	1.3
125.75822	0.3
127.06049	0.3
152.90656	0.5
152.91783	5.3
167.90482	0.8
194.92822	9.2
194.95573	0.6
195.93227	0.4
196.09793	0.4
207.08156	1.3
210.30746	0.4
212.93848	1.0
221.09711	2.6
235.07625	5.5
242.09715	0.3
247.07750	0.8
248.08430	3.4
249.09216	35.6
249.32130	0.4
250.09607	1.9
251.16437	0.3
275.07205	2.6
276.07855	1.3
276.93134	0.9
277.08710	100.0
277.21750	6.3
277.48233	0.4
278.09052	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	277.123
Annotation	Pantetheine
Peak:m/z	Relative Intensity
51.79930	0.3
55.58798	0.3
58.02979	3.6
59.01366	0.8
60.08635	0.3
69.17319	3.2
70.02985	11.4
70.90973	0.3
71.01404	0.8
71.05029	21.4
72.00922	1.0
72.05372	0.4
80.49384	0.3
85.02962	0.6
87.05650	8.2
97.04088	0.6
98.06133	0.4
98.20723	0.6
99.04527	7.2
104.10249	0.3
115.05180	2.2
116.07188	4.0
120.99676	0.7
121.02957	1.0
122.02493	0.5
129.05598	1.6
130.03342	10.1
130.63914	0.3
139.67136	0.4
146.08246	100.0
147.05991	5.7
147.08607	2.8
176.04027	0.6
179.03416	0.4
189.09532	0.5
198.53029	0.4
208.24960	0.3
217.11946	25.2
218.12283	0.9
243.13562	1.0
277.12280	38.8
277.21756	4.2
278.12704	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	277.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
57.74097	1.2
58.02971	3.6
59.01387	100.0
62.65533	1.2
65.57478	1.1
66.10976	1.0
71.01391	13.0
71.53562	1.1
71.53936	1.6
72.99300	1.3
73.02962	4.4
74.99098	3.7
79.63380	1.2
83.01383	1.6
85.02952	5.0
89.02446	1.9
93.03469	5.7
96.96038	2.5
99.00890	1.6
99.04521	1.8
101.02447	8.4
109.02949	1.5
111.00835	1.3
111.04523	1.6
112.93679	1.5
113.02444	4.8
119.05053	1.5
120.99686	8.2
121.02960	4.8
128.05084	1.5
128.96362	1.2
130.06660	22.3
131.03777	2.0
135.04552	11.5
137.02477	1.3
138.05568	1.8
139.03993	1.4
144.04601	8.5
146.06187	7.4
146.08212	2.6
152.91734	1.7
159.03207	1.6
161.04602	3.1
172.04047	1.3
173.04567	2.9
174.05614	25.3
176.04037	20.8
176.97853	1.2
179.03537	11.1
190.05112	15.8
194.92844	3.0
218.04628	2.3
235.11848	13.9
277.08017	3.6
277.12167	2.7
277.21741	15.2
284.35730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
59.01387	100.0
62.44157	1.9
69.31419	9.2
69.31823	3.4
71.01405	8.1
71.05032	1.4
73.02937	4.0
83.01396	2.3
84.64861	1.4
85.02959	6.2
101.02478	8.1
110.02505	1.5
113.02445	4.3
130.06627	2.3
161.04596	3.4
173.04524	2.1
174.05475	1.9
175.05000	3.0
235.11942	11.1
270.72528	1.4
277.07117	2.8
277.12415	2.4
277.21738	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27142	0.9
59.01385	100.0
70.02974	1.1
71.01390	9.2
71.53357	1.5
73.02942	3.6
74.62427	1.0
83.01384	3.0
85.02959	4.8
87.00863	1.0
87.53194	1.0
89.02452	1.9
95.01390	1.2
97.76089	1.1
99.00893	1.6
101.02446	7.4
113.02434	4.0
121.02943	3.0
132.35716	1.1
138.05614	1.1
146.08224	3.2
152.91653	1.6
161.04526	3.6
162.35858	0.9
173.04622	1.2
175.04071	1.0
176.04025	1.0
189.09492	1.3
194.92816	2.0
215.61723	1.1
235.11885	10.4
235.54666	1.0
263.35638	1.1
276.96091	0.9
277.07278	2.2
277.11899	1.9
277.14798	1.8
277.21771	12.4
280.51685	1.0
299.29074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01390	2.1
67.53306	0.2
69.17183	0.4
69.17596	2.0
70.48644	0.2
71.01385	0.6
81.17809	0.2
84.31076	0.2
88.54813	0.2
89.40125	0.2
127.07644	0.5
205.15945	0.4
233.22719	0.5
259.20593	0.4
275.20224	0.5
277.21722	100.0
278.18945	0.4
278.22049	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27398	0.1
56.81539	0.2
59.01115	0.3
59.01385	3.6
69.17403	1.6
71.01392	0.5
79.95778	0.2
83.05007	0.2
84.12888	0.2
87.56227	0.1
88.39133	0.2
89.00322	0.2
114.03436	0.1
121.02953	0.5
127.07664	0.4
148.46588	0.2
152.91751	0.5
161.16620	0.1
194.92816	0.8
194.95534	0.2
201.75606	0.2
205.15964	0.6
233.19128	0.3
233.22749	0.4
259.20660	0.5
275.20132	0.5
276.93149	0.1
277.18436	5.8
277.21732	100.0
278.18573	0.4
278.22083	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.33080	0.4
56.44431	0.4
59.01380	0.9
63.78312	0.5
71.16164	0.9
71.96829	0.5
155.21310	0.4
256.49448	0.5
258.22363	0.5
259.20673	0.5
277.21747	100.0
278.22092	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	279.0665
Annotation	Neodunol
Peak:m/z	Relative Intensity
71.54671	0.7
96.95930	1.2
101.02347	0.6
119.04973	0.5
119.89652	0.5
138.80510	0.5
161.02394	0.7
187.03923	1.1
195.04578	0.6
196.05226	1.3
196.92422	0.5
205.69347	0.5
207.04478	3.2
208.05365	4.7
211.02234	0.6
211.04045	9.3
212.04520	1.8
219.04564	1.2
223.03978	2.5
223.07649	1.2
224.04681	1.6
227.72845	0.5
233.09729	3.6
233.94604	0.5
235.04001	7.5
236.04800	21.4
237.05235	1.7
239.03471	3.7
240.03870	0.5
247.04027	1.1
251.07053	1.1
261.09161	0.9
263.03470	3.0
263.64090	0.5
264.04279	100.0
265.04663	7.2
279.06650	77.4
279.10086	5.2
279.13016	1.1
279.15234	0.6
279.23251	4.0
280.06992	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.0
58.02941	0.6
59.01385	16.5
69.32523	4.4
71.01390	10.2
72.00898	0.8
72.55967	0.5
72.99302	1.1
73.02947	1.3
82.02990	4.2
85.02960	3.8
87.00878	1.0
89.02457	10.9
90.06464	0.6
97.02907	0.6
99.04526	2.6
100.04033	1.6
101.02464	5.4
113.02477	3.9
113.03136	0.6
117.05596	5.0
119.03510	4.7
127.05145	0.6
128.03551	2.9
134.06140	0.6
150.01740	23.8
161.04504	1.1
163.08784	0.6
165.10371	3.3
167.04411	12.1
167.11903	2.3
168.01530	0.8
168.02786	1.5
180.78302	0.6
191.05559	0.8
197.47609	0.6
201.37439	0.6
208.09612	2.1
211.03596	0.7
212.01756	1.2
235.10657	100.0
236.10916	4.9
255.28242	0.6
261.08072	0.6
278.16223	0.6
279.06024	0.8
279.11002	14.5
279.23428	2.7
280.11282	0.6
297.15039	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	279.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98365	0.3
55.32162	0.3
55.87720	0.3
56.29462	0.3
57.02303	0.4
69.93386	1.6
78.58084	0.3
147.57657	0.4
193.06659	0.9
194.07423	1.2
198.00848	0.3
207.08199	1.5
208.08847	1.6
209.06001	0.5
209.09694	0.4
220.05185	0.4
220.08975	0.6
221.06093	8.5
222.06842	4.2
223.07562	0.9
224.08484	0.8
225.05658	0.4
233.09689	0.3
234.06912	0.8
235.07654	16.5
235.11380	0.7
236.08432	40.1
237.09129	12.1
246.06865	0.6
248.04764	1.1
249.05588	2.5
249.09238	3.2
250.09979	2.0
251.10788	17.0
252.08199	1.7
252.11147	1.4
261.09241	1.4
262.06537	1.7
262.09857	1.1
263.04221	0.7
263.07141	31.8
264.07913	54.5
265.08243	4.2
277.08731	3.6
278.09384	2.3
279.10278	100.0
280.10614	7.6
301.72406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
60.39761	0.5
62.11418	0.5
69.59607	3.0
77.48861	0.5
96.96014	0.7
98.20557	0.7
130.14380	0.5
137.06358	0.6
137.78452	0.5
141.34538	0.5
182.99883	0.7
200.01239	2.1
200.29955	0.6
204.05807	0.9
205.06636	1.2
207.08276	0.6
219.08134	1.2
220.05367	1.1
235.07619	1.8
236.08421	0.7
237.09250	1.5
245.06128	1.9
246.06863	6.5
247.07657	15.2
248.04805	24.4
248.07504	1.2
249.05536	7.9
249.09187	2.0
250.06247	0.7
251.07076	4.0
251.10915	1.6
252.07942	2.6
261.05646	1.6
261.09137	2.7
262.06265	3.8
262.09976	1.6
263.07141	66.7
264.07910	100.0
265.08264	7.5
277.08630	1.0
278.05844	5.7
278.08923	0.8
279.06766	1.9
279.10281	55.3
279.23291	2.7
280.10660	4.1
281.04306	0.8
282.80914	0.5
296.06866	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	279.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85640	0.3
57.62022	0.3
58.80352	0.3
60.21228	0.3
63.92584	0.4
71.01080	0.6
73.19019	0.3
73.76090	0.3
77.86075	0.3
154.12576	0.3
207.08247	0.4
209.09776	0.7
211.07652	0.5
219.08174	1.0
220.08919	1.7
233.09758	9.2
234.10182	1.2
235.11299	100.0
236.11620	8.4
249.09174	0.7
251.10889	0.6
263.07245	0.4
264.07849	0.7
267.10229	0.9
279.10291	68.6
280.10608	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	279.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90760	0.2
71.01395	0.4
71.01735	0.2
112.33454	0.2
128.34633	0.2
134.27954	0.2
205.10175	0.3
207.08153	0.3
219.08144	1.3
220.08942	1.2
229.53760	0.2
231.08211	1.1
233.09726	17.4
234.10109	1.2
235.11290	57.4
236.11617	3.7
249.09216	0.6
251.10782	0.5
264.08057	0.2
267.10205	1.5
268.10553	0.2
279.10278	100.0
280.10614	8.2
280.13770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1029
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
57.92382	0.4
69.92465	1.5
74.38838	0.4
80.40757	0.4
95.79165	0.3
193.06633	0.7
194.07338	1.1
195.08151	0.7
207.08163	1.2
208.08949	3.5
209.09700	2.6
219.08319	0.4
220.08997	0.9
221.06116	2.1
221.09688	0.6
222.06839	0.7
222.10477	0.6
223.07686	0.7
223.11308	4.5
225.25885	0.4
233.09755	1.1
234.06992	0.5
234.10385	0.5
235.07654	4.9
235.11366	1.2
236.08427	12.0
237.09018	1.7
246.06853	1.6
248.08415	0.6
249.05496	0.9
249.09242	4.6
250.09995	6.0
251.10794	43.8
252.11061	3.8
261.09247	4.9
262.06332	0.6
262.09940	2.7
263.02911	0.5
263.07159	12.9
264.07928	18.6
265.08267	1.6
270.06274	0.4
277.08810	3.2
278.09497	6.1
279.10287	100.0
280.10641	9.9
303.11060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.103
Annotation	PHENPROCOUMON
Peak:m/z	Relative Intensity
59.01363	1.1
70.20009	0.3
70.20348	1.2
70.60312	0.3
71.01395	0.5
75.65249	0.3
96.96002	0.3
109.39549	0.3
142.93605	0.4
147.50951	0.3
164.86972	0.3
193.06659	1.7
194.07304	0.9
203.51759	0.3
205.06677	0.3
206.07408	2.8
207.08145	2.2
207.09863	0.4
208.08966	2.6
209.09694	0.4
217.06564	0.4
217.56311	0.4
218.07367	0.7
220.08937	1.2
221.06139	1.1
221.09653	1.7
222.06841	1.1
222.10461	0.6
223.11253	1.0
231.08273	0.4
232.09030	0.8
233.06155	0.7
233.09776	1.8
234.06900	3.7
235.07704	3.6
235.11263	0.4
236.08437	7.5
237.08873	0.6
238.06145	0.3
246.06795	0.4
247.07666	0.6
248.08478	0.3
249.05418	0.5
249.09224	12.7
250.09854	1.8
251.10782	12.3
252.11154	1.1
259.07639	0.3
260.08295	0.4
261.05560	2.1
261.09082	0.4
261.18646	0.8
262.06396	5.4
263.07104	2.5
264.07898	3.4
268.07236	0.7
275.07150	0.5
276.07919	0.4
277.08716	10.6
278.09268	1.3
279.10275	100.0
279.19662	1.7
279.23285	2.1
280.10611	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	279.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.1
57.03450	8.4
58.00594	4.7
59.01387	77.8
64.59893	1.4
68.70040	1.4
68.99821	38.8
71.01390	99.6
71.52679	1.8
72.99314	7.3
73.02956	24.9
75.00890	2.6
82.02953	1.4
83.01395	17.4
85.02963	43.5
87.00893	5.6
89.02454	37.0
93.03474	4.0
95.01385	6.9
96.95995	1.6
96.99323	56.1
97.02962	2.7
97.99664	1.4
99.00888	13.0
101.02453	79.9
107.05047	2.0
111.04561	1.6
113.02465	40.5
114.05617	1.6
117.09255	3.4
119.03506	15.6
119.05047	6.7
119.15583	1.4
120.99699	2.7
121.02967	100.0
122.02489	4.7
122.03278	2.4
125.02427	2.8
129.02010	2.1
133.06570	2.4
134.44424	1.3
135.04573	8.6
137.02429	3.4
143.03500	4.9
147.04549	8.1
147.05559	1.3
150.05640	1.5
159.02989	9.8
159.04271	2.2
161.02492	2.5
161.04576	39.1
161.05914	2.7
163.04047	5.5
173.02493	1.5
175.03996	1.8
176.54166	2.5
189.05562	3.5
191.03540	8.4
219.03055	10.1
235.10680	2.8
252.67958	1.7
279.05127	47.3
279.08426	3.0
279.14539	24.5
279.23254	11.9
280.05441	2.2
280.15152	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	279.1452
Annotation	Hexane-1,5-diol 1-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.09412	0.8
54.95629	0.8
55.01887	7.0
57.03448	6.3
58.00594	4.5
59.01386	84.5
60.34217	0.9
65.96796	0.9
68.99826	16.4
69.03432	1.2
70.94218	0.8
71.01390	100.0
71.24200	1.8
72.19187	0.8
72.99314	6.7
73.02952	25.7
73.73237	0.9
75.00867	1.8
83.01399	13.4
85.02959	45.8
87.00888	4.0
89.02451	40.6
93.03466	2.0
93.99479	1.0
95.01405	7.8
96.96041	1.2
96.99321	23.3
97.02962	2.7
97.06987	0.9
99.00883	11.5
101.02454	81.7
102.02694	1.1
107.05003	1.1
111.00880	1.7
113.02460	41.1
117.09224	3.2
119.03510	13.5
119.05032	3.5
121.02968	37.9
122.03242	1.7
125.02479	2.7
129.01929	1.4
131.03548	1.3
135.04568	4.2
137.02480	2.6
143.03506	5.9
147.04547	2.8
151.03946	0.9
159.03076	8.5
161.04576	43.7
161.05922	2.2
163.04024	2.4
175.03993	1.3
176.54172	1.4
179.03532	1.1
179.05560	2.8
189.05588	1.4
191.03484	3.5
191.05183	0.8
219.02968	3.2
279.05139	20.7
279.08264	1.7
279.14526	28.0
279.23349	5.2
280.05353	1.6
280.14749	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	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.56414	0.3
54.08708	0.3
59.01383	1.2
70.02934	1.0
71.01375	0.5
92.51264	0.3
96.96023	0.7
98.20003	0.4
98.48892	0.3
105.43116	0.3
105.50447	0.3
117.77199	0.3
120.88035	0.3
121.02991	0.3
151.32976	0.3
174.36911	0.3
199.60535	0.3
228.22156	0.4
261.22217	0.5
279.23306	100.0
280.23633	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	279.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86065	0.3
54.60775	0.4
59.01370	1.6
70.34609	0.3
71.01351	0.6
71.54377	0.5
89.02473	0.4
94.16984	0.3
96.72393	0.3
96.96027	4.4
102.35201	0.3
103.75069	0.3
110.99075	0.4
118.00756	0.4
118.96514	0.4
119.05022	0.4
164.20845	0.4
235.10008	3.2
261.22311	0.5
279.16742	6.5
279.23303	100.0
280.23669	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	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.24414	0.5
59.01374	0.7
67.24263	0.6
70.84625	1.2
89.27151	0.6
95.07011	0.7
98.20239	1.0
208.16373	0.6
211.35112	0.7
228.35004	0.7
261.22302	0.7
279.23300	100.0
280.23648	9.5
289.52457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30159	2.0
55.01886	17.7
57.03457	2.3
58.00584	7.4
59.01388	17.0
71.01385	18.9
71.53187	4.2
72.25640	2.3
73.02950	9.2
79.95729	2.2
81.98238	2.2
82.02998	24.1
83.01402	49.0
85.02964	5.7
86.00121	3.1
89.02446	4.1
93.03446	2.0
96.96022	16.2
98.02470	9.7
99.00883	31.3
100.04063	10.0
101.02432	6.2
112.93774	2.7
113.02464	9.5
115.04028	19.8
115.05534	9.3
116.07141	3.0
117.03442	2.7
121.02975	100.0
123.00912	2.2
123.05303	2.0
124.07691	5.8
125.96555	1.9
126.20567	2.4
131.05063	12.8
135.04514	7.4
136.01672	7.0
136.07678	9.4
137.02473	4.2
147.04491	4.9
148.05295	14.4
149.05998	2.3
151.04007	9.5
159.02985	35.6
159.04514	37.4
175.04033	4.2
175.07663	2.3
177.05556	3.1
187.04057	5.0
192.04306	2.3
193.05089	5.0
198.96756	2.2
200.09267	4.7
219.06622	4.0
235.10870	4.7
237.07707	13.9
253.05092	2.2
281.06631	12.8
281.11398	13.7
281.24863	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	281.0821
Annotation	Eutypoid B
Peak:m/z	Relative Intensity
52.84956	0.3
53.06302	0.3
55.26385	0.3
59.01384	2.2
71.01384	0.8
73.02949	0.7
77.54271	0.4
78.41660	0.4
79.95750	0.6
85.02952	1.1
87.00887	0.6
93.03465	1.5
101.02448	0.5
111.92946	0.9
124.27824	0.4
129.01889	0.6
135.04549	0.6
137.02425	1.2
161.02512	0.6
173.04482	1.0
179.03590	0.5
191.05646	1.7
193.06612	0.9
194.07376	2.4
195.08012	0.6
201.05609	0.4
204.05792	1.4
207.08128	1.7
208.08908	0.9
209.06339	0.5
209.09747	8.0
211.07710	0.6
217.06531	0.5
218.07372	19.6
219.08151	39.1
220.08562	3.1
221.06093	3.8
222.06789	2.7
223.07466	0.6
224.08353	0.4
235.07666	1.1
235.11485	0.4
236.08357	2.4
237.09219	69.6
238.09563	4.6
251.07010	0.5
251.10832	0.5
253.08720	0.7
253.12386	0.4
263.07135	14.6
263.10220	0.7
263.10864	0.9
264.07428	0.7
266.02246	1.6
266.05801	0.8
281.08206	100.0
281.24915	1.9
282.08600	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0823
Annotation	Eutypoid B
Peak:m/z	Relative Intensity
57.45817	0.4
58.02419	0.4
58.78490	0.5
59.01385	2.2
59.14031	0.4
71.01379	0.5
85.02959	0.9
87.00921	0.6
90.08893	0.4
93.03468	1.8
96.96006	0.4
98.20725	0.7
111.04512	0.7
133.02959	0.8
135.04578	0.7
137.02499	0.5
172.25534	0.5
173.04640	0.9
175.53630	2.1
191.05643	1.7
207.08163	100.0
208.08502	7.2
209.06139	0.6
209.09763	2.1
211.13344	1.1
212.31024	0.5
218.07364	2.0
219.08128	1.5
220.08911	4.6
223.07639	2.5
234.10249	0.6
235.07666	4.0
235.11374	0.7
236.08362	0.6
237.09225	37.3
238.06627	0.5
238.09540	3.4
251.07141	1.7
251.10750	1.6
252.07869	0.7
253.08545	0.6
255.10475	0.6
258.10016	1.2
261.09204	1.8
263.10791	18.4
264.11136	1.6
266.05725	1.0
281.08221	29.5
281.11835	18.1
281.24973	1.3
282.08530	2.9
282.12006	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	281.0878
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
55.01871	3.5
55.72816	1.0
55.97152	1.0
57.03460	13.3
59.01107	1.8
59.01385	19.9
61.50185	1.0
67.01891	3.2
69.03455	2.0
69.92527	4.8
71.01389	66.7
72.99300	1.8
73.02953	2.4
81.03444	1.2
83.01413	3.3
84.02168	1.6
85.02959	86.7
85.83699	1.0
86.00090	1.3
86.03294	2.1
87.00882	24.6
89.02468	1.6
95.01409	9.8
98.02473	1.7
101.02445	3.4
103.00382	6.7
103.04021	2.1
111.00887	3.4
112.01661	3.2
113.02463	100.0
114.02788	3.2
122.89459	1.4
124.61060	1.1
124.89135	1.3
127.04017	1.5
129.01961	6.2
131.03503	2.4
135.63341	1.1
136.01685	2.0
139.00337	1.9
148.05360	2.9
150.04253	1.2
151.04019	2.4
157.01411	2.5
168.77061	1.3
188.54250	1.1
189.04062	1.4
191.05310	1.1
205.07207	14.0
207.06389	1.2
237.06296	6.1
249.06139	4.0
258.95795	1.1
281.08786	87.6
282.09009	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	281.0882
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
55.01865	2.0
57.03448	10.9
57.55644	1.4
59.01387	16.7
61.83850	1.3
67.01882	3.1
68.99823	2.4
69.03445	1.1
70.67710	2.6
71.01389	65.1
72.99329	1.6
80.28333	1.2
83.01385	3.8
85.02961	66.4
87.00883	22.4
95.01385	10.4
99.04514	1.5
103.00363	5.9
103.04015	2.0
110.31689	1.4
111.00900	3.0
112.01686	2.2
113.02459	100.0
121.21348	1.2
129.01968	7.1
129.47206	1.3
130.88947	2.4
131.03476	3.0
139.00380	3.2
142.97591	1.5
157.01442	2.5
205.07169	12.2
249.06148	5.0
250.86649	1.3
281.08789	97.4
282.09103	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94226	0.8
59.01395	0.7
70.76133	1.2
70.76469	1.2
75.23948	0.7
84.53155	0.6
89.93833	0.6
103.41175	0.6
111.17572	0.6
130.04305	2.3
132.31628	0.6
135.04506	4.5
145.06647	1.3
159.08224	1.1
161.06026	1.0
194.37077	0.7
207.08202	1.3
209.06264	0.8
219.08205	2.9
219.89026	0.8
220.08952	13.2
221.09698	9.8
222.10303	1.5
223.07671	1.8
231.30521	0.7
233.09734	0.9
235.11292	4.2
236.04712	0.7
236.08461	0.7
236.11876	0.8
237.09190	2.0
237.12825	3.6
238.09856	0.8
239.10788	2.4
246.06967	1.6
247.07658	39.0
248.08423	37.1
248.11098	1.1
249.08900	3.2
250.06273	0.8
251.07109	4.6
253.12445	1.7
261.09222	4.9
262.09998	1.8
263.10782	100.0
264.11301	13.7
265.08719	11.5
266.09457	16.6
266.12149	1.3
267.09900	0.9
280.07523	0.8
281.11844	71.8
282.12143	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	281.1185
Annotation	CHEBI:69248
Peak:m/z	Relative Intensity
70.85095	0.5
70.85430	1.1
99.29906	0.6
130.04251	1.7
135.04529	4.9
145.06577	1.4
159.08191	1.1
161.06038	1.0
171.08226	0.9
207.08136	0.9
209.09732	0.7
219.08147	2.0
220.08937	16.7
221.06023	0.5
221.09692	12.2
222.10298	1.5
223.07671	1.3
224.08412	1.3
233.09628	0.7
234.10519	0.8
235.11278	4.4
236.08475	0.9
237.09174	2.5
237.12810	4.2
238.06291	0.7
238.09982	2.2
239.10736	2.4
246.06956	1.4
247.07645	40.3
248.08401	36.9
248.11113	0.7
249.08908	2.9
250.06389	1.2
251.07211	3.5
252.07712	0.9
253.12286	2.3
261.09158	3.4
262.09949	1.3
263.10776	100.0
264.11282	12.4
265.08707	12.7
266.09451	18.7
267.09778	1.1
280.07507	0.9
281.11835	73.8
282.12177	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	281.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18024	0.2
69.35981	1.4
81.03451	1.0
107.05035	0.6
119.05042	0.9
121.06599	0.5
130.04277	1.1
131.05040	0.4
133.06607	1.9
135.04547	1.1
144.05823	0.7
145.06609	1.0
146.03767	0.4
147.04498	0.3
148.05287	0.4
157.06557	0.4
159.04535	1.4
159.08148	0.8
160.05376	1.1
161.06090	3.1
171.04564	0.5
171.08080	0.4
172.05296	1.9
173.05840	0.2
174.06946	0.4
180.05847	0.3
182.07355	0.5
183.07959	0.3
185.06117	0.4
187.07677	1.5
194.07465	0.3
195.08171	0.9
197.09727	4.1
198.06883	1.7
199.07472	0.2
206.07382	0.4
207.08124	1.9
209.06131	0.5
209.09723	0.9
210.06822	0.5
210.10506	0.3
211.07652	1.2
211.11288	0.3
212.08450	0.4
213.05589	0.3
219.08228	0.5
220.08966	2.5
221.09735	7.0
222.07034	0.4
222.10484	4.4
223.07678	2.0
224.08475	2.2
225.09193	0.7
226.10004	0.3
233.06079	0.3
235.11327	2.4
236.08446	0.7
236.12149	0.3
237.05621	0.4
237.09218	5.4
237.12863	9.1
238.06415	0.4
238.09987	5.3
238.13208	0.4
239.10779	5.2
240.11115	0.3
246.33250	0.3
247.07652	5.8
248.08430	6.5
249.09138	0.9
250.06308	0.5
251.07216	2.0
251.10765	2.9
252.07817	0.6
252.10936	0.2
253.08607	0.4
253.09496	0.3
253.12366	3.1
254.09386	0.3
254.12631	0.4
261.09143	1.2
262.10019	0.5
263.10794	11.1
264.08560	0.4
264.11331	1.8
265.08749	5.2
266.06476	0.3
266.09485	9.8
267.09860	0.7
279.10324	1.1
280.10910	0.8
281.11844	100.0
282.12198	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	281.1186
Annotation	CHEBI:69248
Peak:m/z	Relative Intensity
59.01395	0.5
69.37415	2.1
69.37830	0.8
77.96278	0.4
84.87913	0.3
93.03436	0.3
96.95998	0.3
98.20629	0.7
175.53601	0.5
183.08133	0.6
183.70091	0.4
186.80702	0.4
191.05644	0.5
207.08142	0.5
210.65219	0.4
211.13324	0.5
219.08165	0.9
220.08940	0.5
221.09726	1.2
232.05313	0.8
233.06073	0.4
233.09760	1.6
234.06868	1.1
235.07639	0.9
235.11301	1.7
236.08386	4.4
245.09837	0.5
246.06860	1.0
247.07664	3.9
248.08437	8.5
249.09167	3.2
250.10005	26.4
251.10776	58.1
252.11089	4.7
260.91821	0.3
261.09253	3.5
262.09998	5.7
263.10782	31.1
264.11136	1.9
279.10284	28.0
280.10611	2.6
281.11838	100.0
282.12164	7.3
294.08960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1186
Annotation	CHEBI:69248
Peak:m/z	Relative Intensity
51.47752	0.3
56.38288	0.4
59.01381	1.6
59.99645	0.3
63.36190	0.4
67.01926	0.6
68.99872	0.4
71.54812	0.6
80.16421	0.4
85.02975	0.4
89.55764	0.4
93.03470	0.9
96.96027	2.2
133.02942	0.7
135.04564	0.4
137.02473	0.5
175.53571	2.0
191.05582	1.0
194.07379	0.5
209.06068	0.7
209.09662	0.5
211.07629	0.5
211.11406	0.7
211.13432	1.6
221.06061	0.9
222.06792	1.3
223.07689	2.0
224.08446	1.3
225.09229	0.5
233.09837	1.0
234.06894	0.8
235.07655	0.9
236.08430	6.4
237.09242	13.6
238.09879	3.1
239.10684	0.4
247.07704	2.3
248.08440	5.0
249.05591	0.6
249.09236	3.7
250.10016	21.2
251.10796	39.5
252.11475	10.4
253.12363	42.6
254.12630	3.8
261.09253	4.5
262.09970	7.1
263.10779	19.2
264.11142	1.7
265.08636	0.9
266.09451	0.8
279.10291	8.9
280.10565	0.7
281.11841	100.0
281.24905	1.3
282.04819	0.5
282.12186	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1186
Annotation	Juncunone
Peak:m/z	Relative Intensity
59.01374	1.4
61.98845	0.4
63.62955	0.4
71.01395	0.8
79.76622	0.4
79.95742	0.6
85.02943	0.6
85.81895	0.4
93.03464	1.4
102.60027	0.4
109.06665	0.4
121.62004	0.4
135.04532	0.5
137.02464	0.8
151.91779	0.3
163.11316	1.4
176.03786	0.4
179.08604	0.4
179.81139	0.4
189.09242	0.5
191.05632	0.7
198.03232	0.8
202.07910	0.7
207.08243	0.5
207.10201	0.7
209.05995	1.9
219.04454	0.6
219.08089	0.5
220.08824	2.1
221.09665	0.8
222.03242	1.5
223.07687	1.6
230.07393	11.1
231.07837	0.5
233.09758	2.4
234.10524	0.4
235.11229	0.9
237.05560	2.2
237.09254	1.0
237.15050	0.5
243.08057	0.5
244.08936	13.3
245.09718	25.9
246.10016	2.0
247.07603	2.5
248.08391	1.5
251.10744	1.4
252.07916	0.5
253.05055	1.2
253.12369	0.5
261.08963	0.4
263.10785	35.6
264.11072	2.7
265.08762	2.8
266.05884	0.4
281.04587	4.9
281.11838	100.0
281.24860	1.4
282.12161	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	281.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84592	0.9
55.01847	0.9
56.95193	0.8
57.03459	1.0
59.01384	100.0
69.10351	0.9
71.01390	11.0
71.53066	1.4
75.03715	0.9
77.94156	0.9
83.01376	1.2
85.02950	8.9
87.00866	2.8
89.02457	2.3
95.01381	1.6
97.22977	1.0
101.02435	2.1
113.02471	10.4
117.65054	0.9
117.73344	0.9
122.02466	1.1
150.04198	3.0
160.05263	4.6
161.04520	1.6
173.04155	0.9
175.07568	1.5
192.05533	1.2
205.07152	1.0
221.10326	2.2
237.06369	1.5
237.11064	1.4
253.05206	1.5
272.71024	1.1
281.04153	1.2
281.08865	8.7
281.24988	3.0
282.08270	1.4
299.76132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0845
Annotation	Guanosine
Peak:m/z	Relative Intensity
58.81120	0.3
59.01388	0.8
61.78041	0.3
66.00988	0.5
70.72620	0.7
71.01396	0.9
72.01718	0.3
78.00993	0.3
82.04124	1.0
85.02981	0.5
86.03272	0.3
101.02447	0.4
107.03647	4.1
108.02051	10.6
113.02441	0.3
114.02759	0.3
126.03111	4.0
133.01576	30.7
134.01941	0.5
150.04225	100.0
151.02682	0.4
151.04703	1.6
224.41843	0.3
238.06960	0.3
250.67422	0.3
282.08453	24.5
283.08734	1.1
283.26416	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	283.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19234	0.6
68.99835	4.1
69.57442	4.1
72.97532	1.1
73.01180	9.6
81.91477	0.6
83.01399	3.5
87.00865	0.8
90.98605	100.0
98.20023	1.4
101.62940	0.6
102.98623	1.2
117.00176	12.4
119.05042	9.9
121.02964	29.7
122.03310	1.0
132.99663	2.8
143.12614	0.6
160.99159	19.7
165.53477	0.7
191.03542	1.7
193.87181	0.7
255.03001	5.0
283.02667	2.9
283.26511	7.4
284.03217	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	283.0615
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.73042	0.3
57.08540	0.3
59.01388	0.5
62.26665	0.3
65.00320	1.9
68.39045	0.4
69.77833	1.7
78.43242	0.3
83.05029	0.5
83.37371	0.3
90.98606	0.9
91.01902	0.6
94.00642	0.4
97.02959	1.0
106.11026	0.3
107.01398	1.3
110.00105	0.6
114.06874	0.3
117.03479	17.9
118.03815	0.8
121.02914	0.8
122.00155	0.6
127.84991	0.3
133.03008	0.4
148.01682	1.0
149.99625	0.5
151.00378	2.6
163.03995	1.6
165.01898	1.9
175.16943	0.4
183.04567	0.5
195.04420	1.7
196.05301	13.4
197.05688	0.8
199.04568	0.3
209.11847	3.5
211.03961	1.6
212.04836	0.7
213.44963	0.3
239.03444	1.6
240.04297	26.4
241.04697	1.8
243.89397	0.4
255.03008	3.2
267.02994	18.8
268.03763	31.1
269.04141	2.1
283.06137	100.0
283.26428	13.5
284.03275	2.3
284.06482	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	283.0979
Annotation	Swietenocoumarin B
Peak:m/z	Relative Intensity
56.75774	0.8
59.01377	2.3
63.02400	2.3
67.66856	0.7
69.39933	5.3
71.01389	0.9
84.62820	0.8
90.57381	0.8
92.81808	0.7
107.01410	2.4
132.69499	0.8
143.05046	1.0
151.00359	1.9
182.03867	0.9
183.04491	1.6
185.02728	1.2
187.07681	2.2
194.21628	0.8
196.08885	2.5
199.04027	0.8
207.08170	24.5
208.08516	2.4
209.09731	100.0
210.10109	7.4
211.07666	2.1
211.11331	2.0
213.09232	1.2
221.09717	4.2
222.06873	2.4
223.07626	2.1
224.08414	2.3
225.09175	1.7
226.06389	1.4
227.03386	1.0
235.07581	4.0
236.08495	0.9
237.09219	25.0
238.09669	1.7
239.07153	2.2
239.10757	17.1
240.07933	1.9
240.11009	1.4
241.08728	7.2
250.06499	1.5
250.09988	0.8
253.08733	4.9
255.02998	49.0
255.10260	1.5
256.03348	4.0
257.11868	1.6
265.08719	4.2
265.12115	1.3
268.03903	0.9
268.07336	1.0
281.08163	2.3
283.02606	17.1
283.09793	70.7
283.13232	4.7
283.26437	41.0
284.03094	3.1
284.10089	7.2
284.26810	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	283.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69614	0.4
55.01885	1.4
59.01382	1.3
60.51134	0.4
73.74854	0.4
98.19847	0.6
116.66447	0.4
139.62726	0.4
157.06583	1.7
171.08159	0.7
173.09726	67.9
174.10031	3.0
183.08144	1.6
184.08794	0.4
199.11299	23.2
200.11633	1.4
201.09224	74.9
202.09567	5.1
223.07622	0.8
225.09286	1.1
226.09949	0.8
239.10843	2.6
249.09077	1.9
250.10019	0.7
255.03014	9.6
255.13947	1.9
256.03223	0.8
265.12244	0.5
283.02795	3.2
283.13409	100.0
283.26434	23.1
284.13782	8.8
284.26715	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	283.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40107	0.3
59.01378	0.9
63.02396	0.6
67.30757	0.3
69.61908	2.0
79.23912	0.3
79.97382	0.3
147.12476	0.3
147.78004	0.3
151.00333	0.4
159.04582	0.5
171.04568	0.3
183.04533	0.5
201.02579	0.4
223.07693	0.6
223.13376	0.5
224.08450	3.4
225.09148	2.3
226.09680	0.3
235.07744	1.6
236.08360	0.6
237.09247	3.5
238.09985	11.4
238.12419	0.7
239.10771	20.0
240.11188	1.7
241.12263	0.5
249.09290	1.4
250.10007	10.5
251.10304	1.2
253.08455	0.3
255.03009	15.1
255.10347	1.0
256.03433	1.3
263.10748	1.7
264.11542	6.7
265.12332	19.1
266.12637	2.0
267.10220	1.8
268.03723	0.6
268.10800	0.4
282.12573	0.4
283.02643	5.7
283.13412	100.0
283.26437	23.7
284.03256	1.4
284.13745	9.3
284.26685	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01384	1.3
63.36086	0.4
71.62667	0.4
97.83389	0.4
107.05042	100.0
108.05386	2.4
163.11307	95.4
164.11638	5.5
194.54507	0.4
201.02570	0.9
229.03383	0.7
255.03160	2.0
256.03091	0.5
283.17053	85.7
283.26382	22.0
284.17377	6.7
284.26788	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	284.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60216	0.8
56.65926	0.8
58.99604	1.9
59.01379	2.6
65.76653	0.8
68.99804	4.4
70.54181	1.8
71.01384	2.7
73.01178	12.8
75.00884	1.6
78.03497	2.8
83.01401	3.4
87.00877	1.8
89.81946	0.9
90.98605	93.7
98.20509	1.2
99.04502	1.4
99.78455	0.9
102.98605	3.7
114.05608	1.8
117.00189	14.9
119.65038	1.0
120.03786	1.6
120.04575	16.0
122.02497	61.0
123.02877	2.3
132.99667	4.4
152.91742	1.4
160.97847	1.7
160.99159	31.7
161.04559	2.6
168.88522	1.0
178.33974	1.0
192.03018	3.2
196.04414	1.2
197.04578	1.3
264.54025	0.9
269.04263	2.2
283.26459	100.0
284.02594	1.7
284.06372	2.2
284.26791	35.0
285.04016	4.0
285.06995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.58611	0.3
63.02400	1.0
65.00339	3.4
71.14367	0.7
83.01395	2.0
105.03473	0.8
107.01404	6.0
112.94786	0.4
115.81034	0.3
121.02964	1.2
132.02187	1.1
133.02974	30.9
134.03314	0.9
149.02472	2.8
151.00378	7.6
169.06616	0.4
171.04544	0.6
173.06146	0.3
175.04030	5.4
185.06076	0.6
197.06145	0.6
198.03325	1.1
199.03992	3.7
201.01926	1.2
206.72496	0.3
213.05605	0.9
215.03467	0.4
217.05055	1.9
223.03989	0.8
241.05101	1.1
243.03082	0.8
279.34485	0.3
285.04068	100.0
286.04413	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	285.1136
Annotation	Agatharesinol
Peak:m/z	Relative Intensity
59.01389	1.2
60.80530	0.5
64.51966	0.6
65.00322	1.4
69.58379	3.7
83.01415	1.1
83.05012	0.6
93.03474	1.0
95.01395	0.6
96.95999	0.6
98.19852	1.0
104.25402	0.6
106.77982	0.5
107.01394	2.1
107.78086	0.6
111.04582	0.8
115.47786	0.6
121.03004	0.6
122.38308	0.6
128.66382	0.6
132.55609	0.6
133.02960	10.4
145.06615	1.5
149.02429	1.8
151.00377	3.6
175.04048	1.6
175.07649	0.8
183.08287	0.6
185.09766	0.7
187.07751	0.7
195.08241	0.9
196.09010	0.7
197.09717	4.6
198.10059	0.6
199.04001	1.4
201.01895	0.8
207.08069	0.9
209.09746	3.1
210.06810	1.4
211.07628	4.6
213.05582	0.8
213.09195	1.3
221.09657	1.0
222.06886	1.8
223.07654	3.5
224.08447	8.0
225.09225	18.8
226.09747	1.3
227.10779	1.3
234.06860	2.1
235.07480	1.0
236.08475	2.1
237.09218	23.9
238.10001	5.4
239.10802	10.8
240.11163	0.9
241.05058	1.0
241.08769	1.7
247.07681	1.7
248.08401	4.4
249.09210	12.9
250.09418	0.7
251.07178	2.9
252.07799	2.9
253.08719	93.8
254.09050	6.8
255.10286	60.1
256.10538	4.3
265.08594	2.8
267.10278	30.5
268.10635	2.0
269.08197	1.9
270.08929	1.6
285.04150	44.5
285.11334	100.0
285.26917	1.5
286.04663	3.4
286.11646	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	286.2392
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.64388	0.3
56.63214	0.3
57.05286	0.4
59.01382	0.6
61.98825	0.4
65.00332	0.4
70.02991	1.0
74.06122	2.0
92.37594	0.3
98.20677	0.8
117.07111	2.2
118.05125	1.0
125.02419	0.3
133.02963	0.8
134.03317	1.9
135.04526	0.4
149.02444	0.4
151.00389	1.3
152.00757	0.4
171.94618	0.4
200.04295	0.4
218.05550	0.4
240.23334	3.0
242.21289	1.8
256.23138	0.5
268.22879	1.2
286.04401	14.3
286.23892	100.0
287.04477	1.0
287.16470	1.8
287.24280	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	287.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68361	0.4
52.48855	0.4
53.60148	0.6
55.94262	0.5
58.02987	6.6
59.01383	2.2
61.98835	0.6
65.50538	0.4
69.29007	4.2
71.01369	0.7
73.02988	0.6
74.02475	0.9
79.95757	1.8
82.03001	1.4
84.04582	1.5
85.06603	0.9
87.79928	0.5
95.08253	0.5
98.20633	0.8
109.02940	0.6
111.04540	0.6
114.09264	0.6
116.07188	100.0
117.07550	2.2
120.99660	4.0
125.02465	1.3
127.05157	1.0
127.08788	0.8
128.03557	63.1
129.03920	1.2
129.05551	1.2
130.08722	0.5
136.99199	0.8
157.13463	1.9
159.73703	0.6
165.05515	0.7
166.08765	0.6
170.04601	17.0
179.79607	0.5
183.11389	5.0
185.01378	0.7
199.04402	1.3
201.12482	1.4
209.09361	1.5
227.02420	4.9
227.10385	8.4
269.11417	7.0
279.09366	0.6
287.05865	0.9
287.09268	1.2
287.12524	21.2
288.12875	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	288.1608
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.68125	0.3
59.01377	0.4
62.35723	0.3
70.31367	0.7
70.31737	0.8
81.03465	1.4
92.05064	1.3
93.03471	2.1
107.03795	0.7
108.02184	0.4
108.04566	6.3
109.02240	0.5
109.02960	6.8
121.02948	0.3
134.01436	0.7
134.02498	36.2
135.03300	10.9
136.04057	43.7
137.02525	1.6
137.04411	1.6
148.04050	1.1
149.04828	1.4
176.03542	4.6
177.04282	0.6
190.05118	0.6
204.06650	0.5
260.16507	0.5
288.16080	100.0
289.16364	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	289.1198
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
51.21135	0.8
53.58733	0.7
59.01374	1.5
59.17926	0.8
70.55000	2.6
70.73335	0.8
71.66647	0.7
77.50695	0.9
79.95744	5.3
80.05067	1.3
87.00870	1.3
92.05070	7.0
93.03452	2.7
94.06635	14.3
96.96036	1.8
103.04286	1.2
104.05066	5.7
105.03452	3.0
106.03043	1.0
106.06636	50.6
107.03779	1.8
107.06946	1.3
108.04555	5.4
117.01871	1.1
120.04575	18.2
121.05396	4.2
122.02518	1.6
122.06138	49.4
123.03287	10.5
123.06465	1.1
124.07684	2.9
131.03764	2.2
132.04570	12.3
135.03281	2.0
135.04549	0.9
136.04037	1.9
138.05627	92.8
139.05975	2.6
140.07169	4.8
144.08156	0.9
148.04070	4.6
150.05617	26.3
151.05992	0.9
158.09764	1.1
159.06898	3.7
162.49812	0.8
165.00142	3.7
166.05103	7.0
171.45580	0.9
172.11461	0.9
173.04596	1.7
173.08450	2.4
174.12875	2.8
174.43524	0.8
176.41382	0.8
184.11288	3.4
187.10092	1.6
187.95082	0.8
188.07220	3.8
188.08713	0.7
188.10776	1.1
189.07947	8.1
190.12361	1.1
191.01917	1.4
191.05673	1.6
191.52206	2.6
197.07219	1.6
198.08034	1.0
199.05145	1.5
199.08867	1.2
200.05922	1.4
200.09418	1.0
202.08905	0.8
202.12395	8.4
203.09633	3.8
212.09550	3.0
213.06699	4.0
214.07341	0.9
215.11882	8.9
217.07463	17.4
218.07947	1.4
218.11931	1.6
226.07553	2.7
227.08270	1.4
227.11949	2.7
228.08849	1.6
228.10663	1.1
229.09869	3.6
231.09006	5.8
231.11375	3.5
232.50931	0.9
236.31551	0.9
241.06216	1.9
241.09862	13.8
242.10339	1.0
243.11421	15.2
246.08992	1.3
246.11371	10.5
253.09764	1.6
256.08530	1.6
259.10913	8.2
271.10901	27.3
272.11240	2.3
289.11975	100.0
289.18234	4.2
290.12283	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	289.1813
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01385	2.1
60.46688	0.4
61.98816	0.4
71.01395	0.4
76.07177	0.4
80.02666	1.0
81.03489	0.9
83.05050	0.8
91.25421	0.5
95.05042	1.1
97.06610	0.5
98.20638	1.3
106.04247	1.8
107.05029	1.0
109.06600	9.5
110.16892	0.5
111.08161	2.1
120.05843	0.7
121.02969	0.8
121.06571	0.8
123.08170	2.4
135.08180	0.9
137.09702	1.5
143.10785	2.2
145.06610	3.1
149.09750	2.0
151.11281	1.6
159.08185	0.5
163.11273	1.1
167.10809	2.0
177.12857	0.7
179.10753	0.7
181.12376	1.0
191.14482	0.7
192.04276	2.5
217.12369	0.5
217.16057	0.5
245.19127	6.6
261.18692	0.5
271.17044	1.9
273.14801	1.0
280.59897	0.4
287.16580	3.3
289.18115	100.0
290.18463	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
62.53040	0.6
69.93340	3.1
69.95360	0.6
71.01382	0.8
74.12234	0.7
86.87085	0.7
98.19946	0.6
102.13014	0.8
112.81181	0.7
115.80488	0.7
119.05006	1.1
121.02953	3.2
148.08963	1.8
151.11275	2.0
153.12881	0.7
165.12770	0.9
175.11208	0.7
177.12859	1.8
189.89030	0.6
193.16068	0.6
203.14401	1.2
209.04567	2.0
237.14935	0.7
247.17096	1.0
247.20703	6.2
248.21173	0.7
255.17516	0.7
273.18530	1.1
275.58508	0.6
291.19687	100.0
292.19980	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01377	0.6
71.24434	0.5
79.14494	0.3
93.03463	0.3
95.05070	0.4
97.06580	0.5
97.88460	0.3
106.04275	0.4
119.05067	0.5
121.02981	0.7
125.06064	0.5
127.07681	0.4
148.08946	1.3
149.09637	0.4
150.10490	1.2
151.11308	0.8
163.11295	1.3
165.12863	23.7
166.13216	1.0
172.94118	0.4
175.11331	0.6
176.12027	0.7
177.12801	0.5
179.14464	0.5
191.14493	0.6
193.12408	0.3
195.55302	0.3
209.04674	0.4
217.15982	0.4
247.20695	10.1
248.21062	1.0
273.18613	7.4
274.18887	0.5
291.19687	100.0
292.20032	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67977	0.6
57.03452	0.9
59.01382	3.4
63.37050	0.7
69.21872	0.7
69.22188	6.8
71.01381	1.3
71.05028	29.5
97.06611	8.4
109.98595	0.8
111.08176	0.9
121.02985	1.5
123.08195	0.9
133.06598	1.0
137.09685	1.1
149.09534	0.6
163.14948	0.7
175.14859	0.7
181.12379	2.4
186.25546	0.8
195.13890	1.0
207.13892	1.9
209.04614	1.1
219.13916	4.8
232.00098	0.7
235.17082	4.5
247.20654	2.8
250.82860	0.8
273.18668	2.3
291.19684	100.0
292.19998	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
59.01372	0.6
60.52935	0.2
61.03775	0.2
64.02404	0.3
69.03449	0.5
70.01299	1.2
71.01376	0.4
71.05037	0.3
74.50701	0.2
76.22086	0.3
79.38370	0.2
83.05022	0.6
91.85861	0.3
93.07100	1.5
97.06595	2.1
111.08171	1.0
119.08691	0.3
121.02943	0.4
121.10251	13.5
122.10558	0.5
123.08189	1.2
125.09744	7.0
127.11308	0.4
134.08913	0.2
135.11803	0.3
139.11325	0.3
141.09283	0.2
141.12856	1.2
147.08168	0.8
153.78513	0.2
163.11334	0.3
165.12857	0.7
171.10295	0.7
177.12891	0.3
179.10669	0.3
179.14459	0.3
185.11841	16.1
186.12256	0.7
197.11842	4.2
198.12129	0.3
209.04491	0.5
209.11902	1.7
211.13419	1.5
223.13428	0.9
233.35645	0.3
247.13478	0.5
247.20590	1.2
273.18613	1.5
289.18164	0.6
291.19678	100.0
292.20032	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	291.1969
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.53388	0.4
58.06139	0.4
60.31462	0.4
68.98933	0.4
73.02953	51.9
74.03301	0.5
92.34977	0.4
98.19764	0.7
121.02953	1.0
157.18445	0.4
289.05161	0.5
291.19690	100.0
292.20062	9.2
293.04504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	0.8
59.01382	1.3
69.94370	1.5
71.01385	1.5
83.54330	0.5
89.02457	0.6
96.96024	0.8
113.04494	0.5
131.48889	0.4
152.91814	1.6
156.13951	100.0
157.14328	4.0
165.73935	0.5
171.73055	0.4
192.11562	0.7
194.92880	0.7
200.12936	4.1
205.12425	0.8
206.05568	0.5
206.07472	0.7
220.14711	6.2
221.15477	12.6
232.87555	0.8
236.10518	8.5
249.09196	2.6
292.19931	5.7
293.08243	1.1
293.17627	1.9
293.21133	1.3
299.67010	0.6
308.25082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36094	0.6
54.34800	0.4
57.03458	0.8
58.02979	1.0
59.01385	1.8
61.35121	0.6
69.22132	2.8
69.22558	1.8
71.01376	0.9
96.96049	0.6
97.06583	0.5
107.29916	0.5
111.33162	0.4
113.09747	1.0
125.09707	0.9
149.09850	0.5
152.91780	1.8
156.13950	100.0
157.14310	4.5
171.10304	0.6
173.88702	0.5
185.11861	2.0
192.11623	0.9
194.92784	1.0
195.13802	0.6
200.12955	4.1
220.14680	4.6
221.13347	0.6
221.15486	9.7
232.87375	0.8
233.39023	0.5
236.08189	0.9
236.10507	7.0
249.05357	0.8
249.09268	2.1
263.23865	0.5
274.18817	0.6
280.01901	0.5
290.05365	0.5
292.06897	9.9
292.19989	6.2
293.08087	1.6
293.17734	1.3
293.21228	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	293.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	6.8
59.01383	4.0
60.42340	1.0
63.02391	2.3
64.55226	1.2
65.00334	13.6
67.01897	1.9
68.99840	1.4
71.01390	3.6
72.99344	1.3
81.03493	2.2
83.01389	17.2
85.02940	1.4
87.00906	1.6
87.78971	1.0
89.02512	1.4
91.05547	3.7
93.03484	6.7
95.01411	1.3
95.05042	26.8
96.96021	1.8
97.02959	1.9
101.02444	1.9
105.03522	1.2
107.01401	10.3
107.05069	1.4
109.02971	2.0
111.00934	1.2
113.02461	1.7
115.05578	2.0
117.03467	4.7
117.07122	2.4
119.05035	39.0
120.99671	1.5
121.02971	33.3
122.03300	2.3
123.04556	1.5
125.02463	64.9
133.02974	7.0
133.06622	5.4
135.04556	8.6
137.02480	2.4
137.06110	27.0
137.07103	1.3
143.05016	9.3
145.02965	3.8
146.03746	4.1
151.00374	16.2
159.04544	4.8
161.02480	8.5
161.06088	52.3
162.03207	2.7
162.06482	2.1
163.04025	51.5
164.01202	5.4
164.04333	1.9
177.01924	5.1
177.05638	2.9
187.04019	8.7
190.02754	4.6
205.05075	100.0
206.05469	5.5
230.04752	1.2
231.03008	3.6
249.04065	74.1
250.04376	4.2
293.02863	8.8
293.08279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0672
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
52.39162	0.6
57.03455	6.6
59.01389	2.3
63.02423	0.7
65.00359	0.8
69.87878	3.0
71.01387	4.1
72.99330	1.0
73.04083	2.1
80.14706	0.6
81.03471	2.5
83.01415	3.4
85.02986	1.1
91.05554	0.9
95.05050	1.5
96.00922	0.7
96.96030	0.9
101.02475	1.1
107.01395	2.9
109.03007	0.9
113.02454	1.1
115.05165	2.7
117.03494	0.7
118.43686	0.8
119.05080	0.9
119.19145	0.7
121.06606	2.0
123.04545	3.1
125.02464	100.0
126.02826	2.1
133.03009	2.3
135.04558	0.7
135.29501	0.7
136.07655	1.2
138.18382	0.6
147.04556	6.7
147.65263	0.7
149.02441	3.7
151.00389	7.9
159.04485	1.5
161.04633	0.6
163.04095	0.8
163.07678	1.2
164.07230	1.8
165.05614	1.4
167.03532	1.4
172.05156	0.7
177.01941	1.6
187.07684	1.1
190.02721	5.5
191.03522	53.0
192.03873	2.6
203.03520	43.4
204.03900	2.1
205.05072	1.4
205.08652	1.3
213.05588	1.4
223.68387	0.7
229.05112	1.1
231.06619	7.3
233.05727	1.8
243.75926	0.6
247.06113	17.7
247.08418	1.3
248.06560	1.2
249.07591	3.8
250.08131	0.8
250.10921	0.8
257.04578	1.8
263.10443	2.7
275.05588	9.9
276.06058	1.1
293.06711	86.1
293.21286	1.2
294.07056	6.4
311.07782	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	293.0823
Annotation	Glyzarin
Peak:m/z	Relative Intensity
54.10513	0.1
54.56928	0.1
55.63702	0.1
111.12998	0.1
113.97338	0.1
122.92887	0.1
143.18004	0.1
145.09785	0.1
156.30534	0.1
178.07895	0.2
206.07381	17.1
207.07936	1.7
219.08261	0.5
220.08943	1.7
221.09705	1.1
233.05983	0.6
234.06873	8.8
235.07153	0.6
247.07663	5.6
248.08372	1.3
249.09219	100.0
250.09557	8.2
293.08221	13.6
293.21124	0.2
294.08624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0824
Annotation	Glyzarin
Peak:m/z	Relative Intensity
50.36251	0.2
58.81895	0.2
59.01385	0.9
61.98826	0.3
62.18016	0.2
63.71966	0.3
64.38921	0.2
70.74880	0.4
71.01387	0.5
89.02431	0.3
96.95996	0.2
121.02971	0.3
152.91780	0.8
170.25429	0.2
194.92828	0.5
204.05786	3.8
205.06409	0.4
206.07402	1.2
207.08044	0.5
218.07437	0.8
219.08183	6.6
220.08746	0.7
220.14639	0.2
221.09732	19.4
221.15512	0.6
222.06898	0.3
222.10098	1.7
230.07343	0.2
231.08202	1.4
232.05325	0.9
232.87440	0.5
233.06082	0.3
234.06898	1.6
235.07637	0.4
246.07007	0.6
247.07661	33.3
248.08038	3.5
249.09224	6.8
250.09621	0.9
250.88608	0.3
260.04855	2.9
261.05234	0.3
263.07169	0.5
275.07162	2.7
275.20178	0.4
276.07690	0.2
293.08228	100.0
293.20959	1.6
294.08575	9.6
307.87698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.71629	2.5
57.03444	7.6
59.01384	47.5
63.42601	2.5
70.02966	7.9
70.91719	7.0
71.01390	27.7
72.00912	6.4
73.02944	8.8
74.02468	5.8
81.91125	2.8
82.03010	4.6
83.01396	7.8
85.02958	51.3
86.02506	3.6
87.00898	4.6
87.04530	6.3
89.02442	22.0
98.02473	3.2
98.97740	2.5
100.20361	2.3
101.02465	16.7
111.00900	10.9
113.02460	100.0
114.02863	3.1
119.03491	9.1
128.03558	14.9
129.01936	17.3
131.03493	6.3
137.43553	2.4
141.06735	8.1
145.06209	3.4
157.09935	3.4
161.04626	5.7
165.06573	3.1
173.04500	4.6
183.07784	22.7
191.05643	14.6
201.08864	22.8
205.03578	5.8
293.08929	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	293.0881
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01617	0.9
55.01879	4.7
57.03453	17.7
59.01383	5.2
61.35672	0.9
67.01906	1.6
68.99859	0.8
69.15377	9.5
71.01398	8.8
72.99313	2.9
73.02954	3.7
73.50129	0.8
75.00882	1.2
82.64886	0.8
83.01398	11.0
84.02155	1.9
85.02961	100.0
86.03296	1.7
87.00902	1.9
87.04525	18.2
88.21300	0.9
89.02465	1.1
90.81071	0.8
99.00924	1.8
100.00426	0.9
101.02442	5.1
111.00891	33.5
113.02456	6.5
118.43755	0.8
125.02448	3.4
129.01958	37.9
136.56738	0.9
140.45773	0.8
143.03519	0.9
148.06271	0.9
152.40536	0.9
161.04559	2.2
187.02466	1.2
191.05655	6.0
205.01662	1.6
205.03548	20.9
205.05435	1.2
223.04579	1.8
224.08589	0.9
227.96388	0.9
243.71278	0.9
293.08917	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1149
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
58.02997	1.0
59.01110	1.9
59.01389	25.6
69.03432	1.0
69.72072	6.0
71.01388	18.0
72.00916	7.8
72.04565	1.3
72.99306	2.7
73.02952	1.3
74.02476	2.3
79.90395	1.0
82.02997	2.7
83.01394	2.6
84.04558	2.7
85.02946	5.7
85.06590	5.4
87.00877	1.1
89.02458	18.1
91.05538	1.7
92.05069	4.7
93.03488	1.3
95.01384	1.7
96.96019	3.5
100.00423	9.8
101.02443	10.5
109.04089	4.5
111.00925	1.1
112.03989	1.6
113.02464	7.3
113.06088	2.3
117.03488	1.4
118.06644	1.8
119.03508	6.3
120.04559	10.7
121.02953	1.4
122.04764	1.4
125.02459	4.2
127.05156	27.2
128.03560	100.0
129.03876	2.5
131.03572	1.4
131.07150	20.8
133.03000	1.5
133.04001	1.5
136.07635	2.0
143.03532	1.6
144.03021	6.7
147.04538	26.9
148.05116	1.6
148.06310	13.1
152.91771	4.1
157.70380	1.1
161.04666	1.2
161.06030	1.6
162.05658	1.1
163.05151	2.9
164.03526	4.9
164.07185	55.3
164.29378	1.0
165.07544	3.7
168.10278	2.6
191.03581	1.8
191.05609	1.4
194.92838	1.4
203.03566	1.8
205.08949	1.2
213.10420	3.1
231.11528	1.6
232.87549	3.6
236.10362	1.4
245.15117	1.1
249.08749	4.3
250.61452	1.5
250.88678	2.0
255.81517	1.3
257.09268	12.8
275.10364	20.5
276.10779	1.3
293.04398	1.6
293.07529	3.2
293.12500	31.4
293.21393	1.5
294.06192	1.5
294.12595	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1188
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
53.39189	0.8
57.37286	0.8
59.01375	3.7
61.98833	2.2
68.02541	2.0
68.29107	0.9
69.70063	5.4
71.01392	5.5
71.30795	1.0
74.40153	0.9
79.95667	1.0
89.02447	1.2
96.96032	2.3
107.53289	0.9
113.09808	1.1
113.74496	0.9
152.91760	4.0
161.04543	1.2
177.09181	2.0
192.11552	2.6
194.92700	1.7
205.12331	1.7
218.09311	1.1
220.14688	16.5
221.15480	32.2
222.15718	2.2
232.87511	2.2
233.09721	4.1
234.10406	3.8
235.07639	3.3
236.08279	2.0
236.10559	22.2
237.10919	1.7
241.78581	1.0
246.06856	4.6
247.07610	6.5
248.08334	2.0
249.09279	9.0
250.09674	2.1
250.88533	1.3
259.07660	1.5
260.08524	1.3
261.09225	100.0
262.09909	33.3
263.07169	8.2
263.10730	22.8
264.11099	2.3
272.86929	1.0
275.20093	1.6
278.09460	3.5
293.04871	1.7
293.08447	4.3
293.11850	52.3
293.17557	4.1
293.21091	14.5
294.09119	2.1
294.12201	5.1
294.21460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33446	0.7
55.01881	1.1
55.26382	0.7
57.03454	1.2
58.00580	1.3
59.01385	48.4
69.75159	2.9
71.01389	21.7
72.33997	0.7
72.99306	1.3
73.02993	0.8
83.01405	1.6
85.02956	5.0
85.06606	18.1
87.00889	1.2
87.44250	0.7
89.02455	21.6
95.01402	1.5
97.02982	0.7
99.00883	1.2
101.02451	15.2
113.02460	7.2
113.06094	3.9
115.07688	1.9
119.03510	8.2
127.07642	2.3
131.07155	70.6
132.07498	2.4
143.03455	0.9
148.06294	0.9
173.08200	1.9
179.05602	1.4
188.50818	0.7
219.84401	0.7
293.12448	100.0
294.12787	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	293.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56220	0.2
69.86248	0.2
70.41113	0.4
70.41441	0.3
71.01022	0.4
71.01388	7.2
71.39175	0.2
79.64396	0.2
81.89091	0.2
105.38950	0.2
114.74016	0.3
127.07652	0.6
148.05336	1.5
149.05852	0.3
151.07663	0.5
164.08400	1.8
177.09229	5.1
178.09485	0.3
180.90710	0.2
192.11565	6.9
193.12128	0.8
205.12352	8.8
206.12939	0.3
207.13974	1.2
217.08704	0.6
218.09482	1.9
220.14705	48.9
221.15477	100.0
222.15820	6.8
222.17976	0.4
231.21248	0.2
235.13388	0.9
236.10555	68.7
237.10960	4.6
249.09258	0.6
265.12381	0.3
293.08304	0.6
293.17645	7.6
293.21036	0.5
294.17960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10291	0.6
57.03443	1.7
59.01159	0.5
59.01388	5.8
59.89965	0.5
60.63550	0.5
64.52757	0.5
69.65482	3.3
71.01387	3.1
71.05030	5.5
72.20757	0.5
83.05063	0.6
87.04539	0.9
90.55120	0.5
92.40121	0.6
97.06594	1.1
98.20631	1.1
104.97564	0.6
136.08957	0.6
171.10330	0.8
177.09174	1.0
178.71246	0.6
185.42668	0.6
191.18085	1.1
193.16040	0.8
195.14040	0.8
205.12303	1.0
209.15512	2.3
217.16022	0.6
220.14702	4.6
221.15477	8.9
223.17039	7.6
231.21230	2.3
235.17062	42.5
236.10532	5.2
236.17442	2.6
237.18564	0.8
249.09230	2.3
275.20187	45.4
276.20490	4.7
293.08911	15.2
293.21259	100.0
294.08994	2.0
294.21585	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73462	0.8
53.70033	1.0
57.03459	5.7
59.01372	2.9
113.09737	16.9
121.10247	8.2
139.11247	1.6
146.66081	1.0
167.10799	2.5
169.63329	1.1
171.10272	19.5
177.12852	1.4
195.13892	3.1
221.15498	3.5
229.10617	0.9
231.21150	1.6
236.10512	1.5
249.22255	1.9
275.20181	22.6
276.20517	2.4
293.08789	2.6
293.21259	100.0
294.21576	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96774	0.8
57.03457	1.0
59.01381	4.9
59.80160	0.8
61.98827	2.4
71.01382	4.3
71.05058	1.1
83.05020	1.3
89.02469	1.3
89.26038	0.8
96.96019	2.2
97.06606	0.8
121.02924	0.9
123.08150	1.2
130.62749	0.9
136.08916	2.5
139.11320	1.1
141.28468	0.8
145.69348	0.7
151.11308	2.2
152.91779	2.8
169.12396	2.1
171.10310	1.0
177.09229	2.0
177.12909	1.2
192.11548	2.3
193.15984	5.5
194.92839	1.2
197.11853	29.5
198.12103	1.0
202.83678	0.8
205.12355	1.6
207.13914	1.1
220.14687	13.4
221.15466	25.8
222.15785	1.6
232.87338	1.5
235.13481	1.0
236.10535	18.2
237.11021	1.4
249.09181	5.4
249.18579	2.2
249.22284	1.1
250.88493	1.0
275.20175	17.2
276.20636	1.6
278.05762	1.2
293.04709	1.5
293.08209	4.9
293.17807	5.2
293.21237	100.0
294.18365	1.5
294.21555	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01366	3.2
61.29649	1.0
64.96610	1.2
121.10248	43.9
122.10551	1.3
125.09789	1.9
127.11298	1.2
149.88081	1.2
171.10287	77.6
172.10600	2.3
177.16449	1.9
183.13866	3.4
185.11818	5.0
197.11844	1.7
211.13280	1.7
221.00815	1.2
221.15512	1.5
231.21123	4.2
263.23572	1.3
275.20172	100.0
276.20398	7.1
293.21240	66.6
294.21600	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69312	1.0
59.01409	1.4
70.83770	1.5
70.84083	1.6
71.01374	1.3
78.48663	1.1
98.20689	1.0
109.06601	3.2
122.69807	0.9
143.23170	1.1
177.23747	0.9
183.13924	29.3
184.14285	1.6
185.47069	0.9
195.13921	15.1
211.13481	7.1
220.14676	1.3
221.15564	2.6
223.13405	10.3
224.86824	1.0
228.13559	1.0
231.21236	1.3
236.10426	1.4
256.13217	3.0
265.21710	2.9
275.20233	15.5
293.21265	100.0
294.21521	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.53393	0.5
69.22018	4.0
69.22444	1.3
73.06562	0.5
76.02448	0.5
95.61675	0.5
97.06591	1.2
114.76981	0.6
123.08187	1.0
125.09747	5.0
141.12862	1.4
149.09743	2.1
151.41205	0.5
165.53535	0.6
185.11841	10.3
197.11833	2.5
211.19864	0.5
213.10698	0.5
221.15489	0.7
236.35654	0.6
237.89247	0.5
249.22272	0.8
262.46701	0.5
275.20111	1.1
293.21252	100.0
294.21570	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.83873	0.8
57.03431	0.6
59.01371	0.7
60.46902	0.7
67.90685	0.6
70.99327	1.1
70.99654	1.1
78.30167	0.7
82.43911	0.6
86.71223	0.6
112.02205	0.6
113.09799	0.7
116.67323	0.7
117.37833	0.8
120.57531	0.8
121.10258	1.4
171.10260	2.3
178.78413	0.7
179.14392	1.5
195.13921	13.3
196.14534	1.8
200.95227	0.7
205.12425	1.2
211.13417	1.6
221.15431	0.7
223.13409	11.1
228.13695	0.9
231.21114	0.8
236.10513	0.9
252.02263	0.7
256.13257	4.3
275.17276	1.4
275.20172	11.7
276.20303	1.0
293.21259	100.0
294.21521	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	293.2125
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
57.03461	4.5
59.01385	3.5
61.98825	0.7
70.09142	1.1
71.01385	2.9
80.80212	0.4
81.95213	0.4
85.06567	0.6
89.02475	0.4
96.95986	1.1
97.06603	0.8
109.06592	0.9
109.51963	0.4
113.09743	18.5
121.10252	0.9
125.09755	0.7
131.03528	0.5
139.11284	1.8
149.09729	1.2
149.51204	0.5
152.91742	1.5
167.10796	2.2
171.10184	0.9
177.09209	1.5
177.12807	0.8
179.10826	1.4
185.11882	0.6
192.11546	1.3
194.92809	0.7
195.13951	3.1
197.11667	0.5
205.12340	1.5
206.07417	0.6
220.14694	10.4
221.15466	21.3
222.15785	1.9
232.87495	0.9
235.17073	0.8
236.10558	14.6
237.11044	0.8
247.07622	0.6
249.09134	2.4
249.22244	2.1
250.09598	0.5
250.88524	0.5
275.20267	2.9
293.08502	2.2
293.21240	100.0
294.18234	0.8
294.21539	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01114	1.1
59.01384	14.8
67.01908	4.6
69.67026	2.1
69.67443	3.1
71.01379	3.4
72.99316	5.3
79.95760	2.2
80.05049	1.0
83.01395	4.1
85.02957	19.5
88.16180	0.8
89.02447	1.3
93.03473	1.5
96.96018	28.8
98.60767	0.8
99.00838	1.0
101.02444	2.9
108.02089	0.9
111.00893	100.0
112.01204	3.3
115.00381	6.1
121.02916	1.7
125.02417	1.1
126.32568	0.9
129.01909	3.7
129.09235	4.2
133.01434	11.2
133.02989	1.5
135.04526	2.8
135.90800	0.8
136.07666	3.0
139.23276	0.7
145.02925	1.1
146.03764	1.3
153.05554	0.9
154.99860	13.2
156.29024	0.9
161.06064	1.0
163.03922	0.8
171.13914	1.0
172.99477	1.5
173.00914	25.2
173.04619	1.0
197.11884	2.4
208.09715	1.0
215.10954	1.4
215.12897	21.3
216.13168	1.6
235.08749	0.7
251.07146	4.1
279.06476	3.1
280.04395	1.0
280.07504	6.1
295.08566	39.2
296.08813	1.8
314.17349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0975
Annotation	Gymnoascolide B
Peak:m/z	Relative Intensity
59.01387	7.7
69.44270	1.7
69.44695	2.6
71.01377	2.1
101.02479	0.7
116.38203	0.6
124.48940	0.6
193.06546	1.0
193.11693	0.6
205.10323	0.6
207.08162	15.2
208.08504	0.9
209.05981	0.8
213.28371	0.6
218.07349	2.0
220.14523	0.9
221.06142	1.2
221.09828	1.0
221.15329	2.6
222.15666	3.7
223.07478	0.6
223.11311	3.9
223.16115	4.6
230.25214	0.6
233.06126	1.4
233.09750	10.9
234.10452	2.4
235.07646	45.2
236.08394	19.6
236.10809	0.9
237.08832	1.7
237.10956	1.4
238.11148	4.1
249.09254	7.0
250.09677	1.2
251.10782	100.0
252.11174	9.1
253.38777	0.7
267.06491	0.9
268.07440	1.2
277.08624	4.4
295.06424	1.0
295.09775	22.3
295.22787	2.2
296.10196	2.2
313.10797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.7
62.61444	0.6
69.23344	1.0
69.23744	5.2
71.01406	1.2
72.65081	0.6
76.44322	0.6
94.27761	0.6
98.20706	1.3
101.02474	0.7
137.62498	0.6
159.04544	0.8
159.08202	0.7
185.06152	0.6
185.09711	1.0
193.06575	2.3
194.07318	2.5
195.08157	0.8
207.08173	5.5
208.05325	0.5
208.08928	2.6
209.06084	1.2
209.09734	4.3
210.06914	0.7
213.14824	0.7
220.05307	0.9
221.06120	6.3
221.09738	1.6
222.06819	1.8
223.07680	3.3
223.11255	3.1
224.08403	0.8
225.09248	1.5
227.10789	6.2
228.11198	0.6
233.05923	0.7
233.09700	5.1
234.06902	3.6
235.07666	16.0
236.08418	20.1
237.05508	1.4
237.09015	1.4
247.07655	0.9
248.08374	1.2
249.09244	8.2
250.09988	28.3
251.10788	100.0
252.08307	0.9
252.11143	8.3
253.08722	2.0
267.07593	0.6
267.10202	2.8
268.07358	0.9
277.08661	2.0
279.75436	0.6
295.09784	59.3
296.10187	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	295.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66149	1.7
98.19831	0.3
193.06561	0.8
206.07373	0.6
208.09000	0.7
221.06021	0.5
221.09729	0.3
233.09947	0.3
234.06857	3.6
235.07620	1.7
236.08452	5.4
237.08806	0.5
247.07751	0.4
248.08554	0.5
249.09218	30.4
250.09624	3.0
251.10786	100.0
252.11110	10.0
268.07404	3.1
269.07654	0.3
282.09079	0.5
295.09775	27.5
296.10153	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	295.0977
Annotation	[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Peak:m/z	Relative Intensity
59.01387	5.2
71.54350	0.7
75.24787	0.5
78.70912	0.5
85.02943	0.7
193.06616	2.6
194.07356	2.2
207.08170	29.7
208.08607	3.0
209.09770	2.8
210.06911	0.7
211.07680	6.3
221.06084	1.2
222.06908	5.3
223.07649	10.8
224.08109	0.6
225.05640	0.8
225.09175	0.9
235.07680	13.6
236.08430	100.0
237.08791	8.5
239.07167	5.9
240.07657	1.0
249.09230	1.0
250.10004	1.5
251.06793	1.1
251.10785	31.3
252.11165	2.5
253.08641	1.8
265.08691	1.0
267.10266	0.7
277.08841	0.6
295.09775	71.2
296.10144	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03436	2.1
58.00597	4.2
59.01386	98.9
60.01733	1.8
60.70968	0.8
69.23799	8.2
71.01389	57.9
72.99313	5.2
73.02947	3.3
75.00867	3.3
78.03477	1.8
82.22771	0.8
83.01399	3.5
85.02459	1.5
85.02958	16.5
87.00874	3.3
87.04601	1.0
89.02453	60.8
92.33058	0.8
93.03461	3.5
95.01400	4.3
98.02505	0.9
99.00881	1.8
101.02448	36.4
111.00860	1.1
111.04513	1.4
113.02464	25.4
115.04012	1.1
117.89694	0.8
119.03512	29.0
120.99676	1.6
121.14917	0.8
122.02493	63.7
129.01984	1.1
131.03502	2.5
133.05078	4.1
133.08759	0.9
143.03526	1.7
149.04585	1.6
152.93654	2.1
155.03624	1.3
161.04533	5.8
165.99046	1.0
168.01477	2.2
173.04517	5.3
179.05615	3.3
183.01755	1.8
194.99068	0.9
210.02609	3.0
235.08028	1.4
235.10901	0.9
251.08044	8.3
295.10373	100.0
295.13156	3.5
296.10703	4.6
296.16528	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	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06218	0.9
56.32521	0.9
57.03458	1.1
58.00595	3.0
59.01385	100.0
69.47537	5.5
71.01388	46.1
71.01788	2.2
71.42770	0.8
72.99307	3.6
73.02955	1.5
73.66888	0.8
83.01398	2.9
85.02967	11.5
87.00896	2.0
88.10511	0.9
89.02455	58.4
89.50009	1.0
95.01385	3.1
96.21378	0.9
98.20790	1.1
101.02449	29.1
105.22528	0.9
113.02460	17.9
119.03519	26.3
131.03523	2.2
133.05063	2.2
143.03569	1.7
149.04578	1.6
161.04610	1.9
170.59633	1.0
179.05666	3.6
224.83827	0.9
282.43234	1.0
295.10373	97.6
296.10629	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	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80088	0.8
55.01875	1.2
57.03428	1.6
57.28189	0.8
58.00590	2.4
59.01387	78.4
60.01698	1.1
65.58395	0.7
71.01389	39.3
72.99316	1.8
73.02960	1.3
75.00876	8.1
79.90127	0.7
83.01400	2.0
85.02962	8.6
87.00857	2.2
89.02455	47.7
95.01390	4.1
98.19859	1.5
101.02456	27.0
108.23003	0.8
113.02461	18.3
115.00352	1.1
115.04018	2.9
119.03519	20.7
122.02489	1.8
129.44373	0.9
131.03496	2.3
133.05107	3.1
143.03517	1.6
149.04562	1.4
161.04539	1.4
173.04552	0.9
179.05626	3.0
237.06215	4.4
254.10402	0.9
295.10367	100.0
296.10696	7.3
311.26059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59910	0.4
55.31367	0.5
56.31953	0.4
59.01391	2.3
70.70758	0.6
70.71098	0.9
99.90562	0.4
119.40160	0.4
126.98505	0.4
135.21777	0.4
207.08165	0.5
219.08182	0.7
220.08983	2.3
221.09706	4.3
222.10437	2.0
223.11267	0.6
233.06319	0.5
234.06694	0.6
235.07663	1.3
235.11272	5.9
236.11993	2.8
236.90709	0.4
237.09245	0.7
245.09695	0.6
246.10556	0.9
247.07626	5.7
248.08429	12.7
249.09190	17.0
250.09984	12.1
251.10579	2.0
261.09225	1.3
262.09973	2.3
263.10782	100.0
264.11530	75.6
265.12308	53.3
266.12714	3.7
267.10352	0.9
277.08798	0.7
277.18182	0.9
278.09537	0.6
295.09784	2.4
295.13440	8.0
296.10318	0.6
296.13620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01727	1.5
60.98953	0.6
65.44408	0.5
71.01384	3.2
71.43536	0.9
72.99325	0.7
73.01185	0.8
73.02960	0.9
73.99075	0.6
80.78570	0.6
85.02975	2.1
87.00884	0.9
89.02463	1.0
91.02858	0.7
93.03493	3.1
96.96040	0.7
97.23697	0.6
101.02476	2.3
108.02187	0.6
113.02486	1.3
115.00378	0.7
121.02969	9.8
133.01474	1.3
135.04578	1.1
137.02513	4.1
151.02510	0.6
152.01216	0.7
159.08533	3.3
161.04671	0.8
161.24590	0.6
165.07518	0.7
167.02299	0.6
167.03596	2.3
171.08113	0.6
189.09619	2.7
207.10625	7.3
222.43831	0.6
235.12056	3.0
252.06091	0.6
295.01440	1.5
295.08395	1.9
295.12537	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	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01717	0.8
70.57419	1.4
71.01391	3.1
73.02974	0.9
85.02977	1.3
89.02443	1.0
96.95977	1.5
101.02449	2.3
123.19553	0.8
133.01515	1.1
141.78137	0.8
161.04585	0.9
205.85849	0.7
207.10522	0.9
235.11887	2.4
258.54123	0.9
295.99921	0.8
319.14011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
68.87367	0.6
71.01405	4.8
71.52802	1.1
73.02973	0.9
78.65392	0.7
78.67801	0.7
83.01385	0.9
85.02995	1.5
87.00896	0.8
89.02481	1.9
96.95996	0.7
98.02556	0.7
101.02460	3.5
113.02497	2.0
131.05084	1.4
133.01491	1.0
133.66698	0.7
135.04543	1.0
161.04649	0.9
175.06235	0.8
203.03665	0.9
235.11923	2.8
295.10468	2.1
295.22806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.09084	1.5
56.68675	1.5
57.03456	3.3
58.85468	1.8
59.01381	15.8
66.03854	1.3
67.05086	1.4
67.20016	1.2
71.01391	2.9
71.14196	2.9
81.36490	1.5
94.81451	1.4
99.23192	1.3
101.02470	2.0
112.80314	1.5
113.09755	3.2
114.10080	3.6
121.10271	3.2
122.10567	2.4
126.71827	1.4
148.01761	1.4
152.45769	1.4
171.10295	34.8
172.10672	5.5
173.10829	5.2
185.89586	1.5
275.20178	2.1
277.21707	52.4
278.22147	4.1
295.22552	100.0
296.23123	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	295.2282
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
50.35807	0.6
51.28912	0.6
59.01387	8.9
60.86623	0.7
69.03474	1.1
71.01382	2.5
74.04267	0.7
83.05032	1.1
101.02414	0.8
107.92417	0.7
111.08185	2.7
113.09766	3.8
118.91090	0.7
125.68552	0.7
129.16388	0.7
139.07637	0.9
139.31567	0.7
143.64789	0.7
157.08714	85.6
158.09076	3.6
175.10802	0.8
195.13910	1.4
209.15468	0.8
225.14984	1.7
233.22736	1.5
251.10805	1.1
259.20639	1.1
277.21753	65.8
278.22101	5.2
295.22806	100.0
296.23135	8.2
302.81125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.76535	0.7
57.03437	1.1
59.01381	1.6
59.62491	0.6
81.60204	0.5
84.76949	0.5
89.58760	0.6
90.79525	0.5
94.73204	0.5
98.19775	1.1
101.60782	0.5
111.69775	0.6
125.09756	1.3
127.11300	1.3
141.12877	0.8
151.11337	0.6
171.10287	39.6
172.10626	1.2
175.14632	0.5
183.10275	0.9
195.13872	0.6
229.08649	0.8
277.21744	50.2
278.22110	4.7
295.22809	100.0
296.23123	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	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23823	0.5
51.37212	0.5
57.03452	0.8
59.01376	3.1
71.01394	0.7
71.30694	0.6
82.60689	0.4
83.05003	0.7
98.50580	0.5
99.08168	0.9
112.16599	0.5
113.09742	2.9
125.09582	0.5
142.58513	0.5
177.12825	0.5
179.14398	1.3
181.12363	0.7
183.13930	3.6
195.13910	26.6
196.14252	1.7
223.94766	0.5
277.21741	23.6
278.21829	2.4
293.20920	0.6
295.22797	100.0
296.23135	8.0
314.59894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
59.01377	3.1
69.48841	5.6
69.49256	1.8
92.66563	1.0
108.01125	1.2
125.09695	1.9
127.11358	1.8
130.68451	1.0
155.14539	1.1
171.10284	57.7
172.10567	1.7
183.10228	3.5
196.13939	1.1
277.21753	61.5
278.22107	6.4
295.22815	100.0
296.23166	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.17585	0.4
57.03440	0.9
59.01381	6.5
63.48135	0.4
64.73062	0.4
69.25024	1.9
69.25449	1.9
71.01397	1.1
79.09256	0.4
83.05060	0.7
98.19926	0.8
101.02480	0.5
113.09735	2.4
133.05164	0.5
139.86481	0.5
179.14406	1.0
195.13916	19.7
196.14301	1.5
197.15506	0.5
204.01128	0.4
249.09224	0.6
251.10825	0.8
251.23944	0.5
277.18506	0.9
277.21741	18.1
278.22089	1.5
295.10287	2.2
295.13739	1.9
295.22794	100.0
296.23123	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	296.093
Annotation	Norcularicine
Peak:m/z	Relative Intensity
59.01388	1.9
69.15933	0.8
69.16336	2.8
71.01376	0.8
79.68347	0.3
79.95733	0.3
89.02456	0.5
94.60808	0.3
96.96004	0.3
97.96307	0.3
98.20107	1.4
101.02446	0.5
107.01436	0.3
147.03131	0.3
183.01196	1.5
195.04469	0.6
195.08078	0.8
197.02745	0.5
204.05809	0.5
205.06625	1.1
206.07423	1.1
207.08238	0.9
211.04037	0.5
211.07607	0.5
219.04646	0.4
219.08273	0.4
220.05296	0.4
220.07640	0.9
221.06030	0.9
222.06828	0.8
223.07590	1.5
230.06032	0.9
231.06853	0.3
232.05315	0.7
232.07649	1.6
233.06181	2.0
233.08176	0.5
234.06905	2.1
234.08984	0.6
235.07661	10.9
236.07875	0.9
237.09372	1.1
239.03505	2.0
246.06937	0.4
247.07605	1.2
248.08722	1.6
249.05540	1.1
249.09344	3.0
250.06334	5.5
250.08815	1.9
251.07082	4.5
252.07523	0.4
260.07068	0.6
261.07913	0.6
262.08755	3.4
263.07169	0.9
264.08121	2.7
265.08716	23.1
266.09460	11.2
267.02994	1.6
267.09775	0.4
277.07578	0.5
278.08194	6.3
279.09021	9.4
280.09332	0.6
282.05368	4.4
296.09290	100.0
296.22873	1.4
297.03995	0.6
297.09839	8.3
297.15057	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	297.0771
Annotation	Eutypoid D
Peak:m/z	Relative Intensity
52.64609	0.8
59.01386	9.1
69.78287	3.1
71.01389	3.8
73.02944	0.7
85.02943	1.3
89.02474	2.5
96.96033	3.8
96.98015	0.7
101.02442	0.7
109.02986	0.6
113.02382	0.7
119.03520	0.7
135.04530	0.8
145.03047	0.6
161.04559	1.3
191.05586	1.1
195.04561	1.0
207.08168	10.4
208.08612	0.8
209.09740	49.8
210.10065	3.6
211.04076	0.7
223.07681	2.1
225.09233	0.9
227.03732	1.2
235.07678	1.2
236.08424	1.9
237.09657	1.3
239.03517	4.1
241.01181	0.7
241.08731	4.2
251.07150	1.3
251.10808	2.8
253.08733	100.0
254.06456	1.2
254.09064	8.1
264.07874	0.9
267.02972	3.8
279.10336	2.2
282.02499	1.2
282.05359	8.6
297.04114	2.7
297.07718	27.7
297.11395	10.1
297.24408	2.1
298.07959	2.0
298.11722	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	297.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
59.01385	22.2
67.22690	1.0
68.01421	12.4
69.03476	1.1
70.02985	58.3
71.01389	9.3
71.03318	1.1
71.52850	1.3
73.02953	1.3
74.79202	0.9
78.95916	1.3
79.95756	5.1
80.96559	1.2
82.02999	5.7
83.01394	1.2
83.05023	1.8
84.04536	1.9
85.02945	2.6
85.32650	0.9
89.02458	9.4
92.05112	1.1
93.03456	2.6
94.02993	37.7
95.01354	0.9
95.03339	1.7
95.05054	1.1
95.95273	1.2
96.04600	3.0
96.96019	25.8
98.02517	1.1
101.02449	6.8
104.05914	0.9
107.05140	1.0
109.01665	0.9
109.02934	2.4
110.06116	7.5
110.81130	1.0
112.07703	26.7
113.02469	4.5
114.05626	3.6
119.03516	3.7
120.04567	2.4
122.02458	1.3
123.00857	1.0
124.07703	1.9
126.09289	1.4
128.03558	2.7
131.03522	1.0
135.04546	4.4
135.06656	4.0
138.05627	100.0
139.06003	3.0
153.10399	1.0
154.08789	1.2
160.39694	0.9
161.04581	3.6
165.10410	1.1
166.02782	1.2
173.04582	3.8
174.04922	4.1
179.05728	2.5
182.04623	11.7
209.12921	5.2
211.04010	1.8
235.10854	2.3
237.09805	1.4
239.03500	5.3
248.73874	1.0
253.11917	12.1
254.05919	1.1
254.12410	2.0
267.03049	7.3
279.09790	1.4
282.05341	20.9
283.05756	2.1
297.03903	4.2
297.07721	8.4
297.11633	6.0
297.24454	5.5
305.52939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1123
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
59.01385	62.6
60.86733	2.2
68.51212	2.5
71.01398	16.2
73.02972	3.8
85.02953	2.8
89.02449	12.2
96.96023	4.7
101.02464	15.2
106.90033	2.3
107.05022	6.6
109.02998	3.4
113.02454	6.1
119.03523	7.0
121.02888	3.0
123.04555	3.1
133.06647	13.6
135.04544	52.2
135.06665	3.4
160.05290	2.7
161.04610	10.8
161.06097	57.4
179.05588	2.8
186.44461	2.4
195.04567	4.8
209.50975	2.6
211.04013	11.1
214.89455	3.4
214.98708	2.8
215.16515	2.9
223.03947	4.0
223.07617	3.7
225.09146	2.7
235.07687	4.4
236.08403	5.3
237.09802	12.9
238.09999	4.1
239.03534	42.6
239.07198	3.7
249.09116	5.1
250.09785	3.2
251.10796	14.2
252.11189	4.8
253.08809	6.4
253.12215	3.0
254.06046	3.8
261.09229	21.4
262.09946	11.0
263.07135	8.2
264.07898	16.6
267.02991	39.1
267.06055	4.4
269.11911	3.5
279.10312	51.4
280.10727	8.2
281.08124	5.6
282.02185	4.8
282.05356	100.0
282.08948	23.2
283.05716	11.0
297.04135	8.3
297.07693	41.7
297.11349	87.9
297.14908	4.6
297.20834	5.5
297.24316	16.7
298.08142	3.5
298.11691	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	297.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92380	0.4
56.98220	0.4
59.01386	5.9
63.93634	0.4
67.01901	0.7
70.91283	1.1
71.01394	1.4
72.72527	0.4
74.52605	0.4
79.80243	0.4
81.03471	0.6
85.02980	0.8
89.02460	1.0
96.95985	0.5
99.57197	0.4
101.02467	1.1
102.04803	0.6
107.05043	8.7
108.02216	0.6
109.02971	1.8
113.02464	0.9
117.07143	0.7
119.04975	0.6
121.02988	2.1
122.03796	0.6
123.04548	2.9
131.04967	0.6
133.06612	25.6
134.03766	2.0
134.06967	1.1
135.04541	99.8
136.04819	3.1
137.06099	0.6
143.05048	1.5
145.02966	2.6
146.03786	2.2
147.04562	2.5
148.05307	1.6
149.01007	0.9
149.06111	2.0
157.06599	0.8
159.04539	5.5
160.05313	6.2
161.06096	100.0
162.06444	5.1
163.07675	3.6
173.06067	0.7
175.07639	1.7
183.08122	0.5
187.07626	1.4
187.60367	0.5
195.04486	0.9
195.08195	2.0
207.08279	1.0
209.09677	0.8
211.04088	1.1
211.07706	1.6
220.08965	1.2
221.06091	0.8
223.07654	1.3
223.11377	1.4
224.08450	0.9
225.05655	0.5
225.09259	1.4
226.09782	0.6
229.08734	0.7
235.07686	4.4
235.11314	1.5
236.08385	5.0
237.09229	3.4
238.10048	2.3
239.03490	2.9
239.07164	1.9
240.07909	0.7
249.05681	1.5
249.09212	11.6
250.06407	1.8
250.09962	10.1
251.10783	16.5
252.08357	0.5
252.11249	1.6
253.04980	0.7
253.08939	2.7
253.12340	2.3
254.09393	1.8
255.10202	1.4
263.07159	4.7
264.07901	5.4
264.98477	0.6
265.08704	9.4
266.06012	0.6
266.09076	0.8
267.03189	3.0
267.06534	3.2
267.10309	1.9
268.07434	2.0
268.11063	6.8
269.04523	0.8
269.08905	0.7
269.11838	6.4
270.12222	0.7
277.08627	0.6
279.10269	13.7
280.10699	1.3
281.08255	1.8
282.05396	7.9
282.08994	11.3
283.09525	0.9
297.04379	2.2
297.07968	3.0
297.11334	57.3
297.24301	1.5
298.04852	1.0
298.08264	0.7
298.11661	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	297.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.7
61.30607	0.5
61.67918	0.6
62.13089	0.5
67.01914	0.5
70.68369	0.5
71.01405	1.1
78.76022	0.5
83.81826	0.5
85.02985	0.8
89.02454	0.6
93.03532	0.5
97.02942	0.6
101.02448	0.6
107.05038	10.6
108.02158	1.1
109.02983	2.1
110.27976	0.5
121.02979	2.1
122.03737	1.1
123.04544	2.9
133.06612	23.4
134.03746	1.2
134.06944	1.3
135.04543	90.6
136.04846	3.6
137.06099	1.4
143.05025	0.9
145.02960	1.6
146.03790	1.9
147.04509	2.5
148.05353	1.5
149.00998	1.0
149.06082	2.3
157.06619	0.7
159.04562	4.0
160.05338	5.9
161.06099	100.0
162.06412	4.6
163.07675	2.7
173.06172	0.8
174.06761	0.8
175.07663	1.5
185.09668	1.1
187.07642	1.4
195.04492	0.6
195.08191	2.2
206.64340	0.5
207.08305	1.1
209.09721	1.1
212.08420	1.5
220.09050	0.7
221.06100	0.6
221.09708	0.9
223.11281	0.8
225.09258	1.5
235.07626	4.4
235.11253	0.8
236.08469	4.3
237.09250	2.4
238.09962	2.0
239.03426	1.3
239.07124	1.4
249.05528	1.0
249.06589	0.9
249.09218	9.9
250.06415	1.5
250.09952	8.2
251.10780	14.8
252.07733	0.7
252.11162	1.5
253.08739	1.4
253.12169	2.4
253.98799	0.6
254.09479	3.1
255.10161	1.6
263.07141	3.4
264.07922	5.1
265.08670	5.0
267.03098	1.5
267.06613	1.8
267.10223	1.6
268.07504	2.6
268.11072	6.0
269.04694	0.6
269.11832	5.8
279.10309	12.2
280.10873	0.8
281.08224	1.2
282.05389	4.0
282.08987	9.7
283.09283	1.1
297.04492	1.5
297.08154	1.7
297.11340	50.2
297.24377	0.9
298.11703	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	297.1193
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
53.85732	0.9
55.01863	1.7
55.67730	0.9
57.03438	1.4
58.00578	1.4
59.01384	100.0
60.01705	1.0
62.90250	1.0
69.73620	5.5
71.01385	31.2
72.99319	1.7
73.02966	6.1
74.85351	0.9
82.04652	0.9
83.01376	3.1
85.02957	9.9
89.02450	30.1
95.01407	2.4
99.00883	2.5
101.02453	24.6
104.74096	1.1
113.01718	1.4
113.02456	13.1
119.03526	13.5
135.06653	13.9
143.03465	3.2
148.75420	1.0
148.76656	1.1
150.83298	1.1
159.03044	1.4
161.04552	11.2
179.05557	6.4
183.99359	5.6
198.98001	1.5
226.00365	6.6
234.87184	1.0
237.09848	10.9
262.61282	1.0
282.05396	1.4
297.07770	4.6
297.11844	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	297.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
65.26081	0.6
69.33869	3.5
69.34278	1.2
79.95750	2.1
98.20496	2.3
119.05015	0.8
170.00424	0.7
183.01215	49.4
184.01918	4.8
184.54018	0.6
195.10164	0.6
197.02786	1.8
198.03487	0.8
198.63628	0.6
216.00966	3.6
281.25534	0.6
297.15308	100.0
298.15640	9.6
310.92047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
58.79550	0.3
59.01391	5.1
71.01392	1.1
89.02441	0.5
95.05068	0.4
98.19943	0.8
101.02470	0.7
102.23933	0.3
115.71794	0.3
125.09724	1.2
127.11293	0.8
139.11302	0.3
141.12854	0.8
149.00972	0.5
150.97096	0.3
155.10793	2.1
169.15965	0.4
171.10265	3.2
181.15977	0.4
183.01244	3.9
195.04546	0.8
211.04109	0.5
229.12489	0.4
237.09689	0.5
239.03505	1.9
251.23883	0.6
253.25372	1.4
267.02942	2.6
268.03387	0.3
269.04401	0.4
279.23309	5.5
280.23618	0.6
282.05356	7.5
283.05579	0.5
297.04297	1.2
297.07736	2.1
297.15399	6.0
297.24368	100.0
298.08008	0.4
298.15500	0.5
298.24698	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	298.0723
Annotation	Marshdine
Peak:m/z	Relative Intensity
59.01385	4.6
63.53592	0.3
67.79413	0.4
133.69501	0.4
149.01199	0.3
169.06577	0.4
174.99292	1.1
192.04549	0.6
195.04530	0.8
195.08191	2.5
206.06140	1.8
207.06876	0.6
208.05389	0.7
209.06070	1.3
210.05353	0.4
211.06111	0.7
211.07655	1.2
213.09145	0.7
217.00310	4.5
220.04066	1.1
223.07774	2.1
224.04936	2.6
224.06889	0.5
225.04187	4.0
232.03873	0.5
234.05603	9.5
235.03999	0.5
235.06291	3.7
236.07092	1.2
237.05537	0.5
238.06450	0.5
239.07352	5.3
240.07948	5.4
241.08372	0.6
249.05534	0.5
250.06099	0.4
251.07033	1.4
252.08212	0.5
253.05080	0.4
253.07408	0.4
262.05182	0.6
266.04672	0.8
267.05667	5.9
268.07468	9.3
269.07690	1.0
271.02457	0.5
280.06219	1.8
281.06943	12.9
282.07397	0.7
283.05530	1.1
284.03140	1.5
298.07227	100.0
299.07690	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	299.0564
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
65.00335	3.6
68.34403	0.2
69.77496	0.8
69.77905	0.5
83.01411	0.8
89.00332	0.5
91.01895	0.6
97.02961	1.7
99.52575	0.2
107.01392	1.6
115.08657	0.3
121.02932	0.9
125.02478	0.3
132.02199	1.8
133.02968	61.4
134.03268	2.0
148.01672	1.6
149.02448	0.2
149.99599	0.4
151.00377	4.4
152.50293	0.3
159.00819	0.3
163.04034	2.4
165.01949	5.0
166.02332	0.3
166.21602	0.2
167.05016	0.3
174.03197	0.7
176.24899	0.3
177.71008	0.2
183.04543	0.7
187.04068	0.4
188.04848	0.5
195.04520	0.3
196.05334	0.2
197.88174	0.2
198.03134	0.3
199.04050	2.8
200.04738	0.6
200.94104	0.2
202.75577	0.2
206.42015	0.2
211.04047	3.4
212.04753	1.1
213.05431	0.3
214.02721	0.3
216.04224	0.6
223.03969	2.9
225.11067	0.3
227.03476	4.0
228.04158	1.0
239.03517	2.4
240.04253	1.6
242.02193	0.8
255.03058	1.8
255.06728	0.4
256.03772	8.9
257.04276	1.3
266.02362	0.6
267.03003	4.7
268.03326	0.4
282.97925	0.4
283.02496	22.9
284.03253	25.9
285.03583	2.0
292.03500	0.2
299.05618	100.0
300.05969	9.6
313.56006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01362	0.2
63.02394	0.8
65.00335	0.5
70.08052	0.3
70.08450	0.5
70.20258	0.2
83.01397	0.9
104.02697	0.2
107.01397	2.2
125.02438	0.5
132.02185	0.9
133.02931	0.5
134.03728	0.8
135.00902	0.2
148.01645	0.3
149.02443	0.5
151.00369	2.8
174.03212	0.2
183.04541	0.4
187.04179	0.2
188.04771	0.3
193.70407	0.2
199.04065	0.6
200.04741	0.6
211.03998	0.8
212.04770	0.3
227.03510	2.4
228.04230	0.4
239.03471	0.3
255.03009	1.6
256.03790	29.7
257.04181	2.2
267.02963	0.2
283.02426	0.9
284.03284	100.0
285.00479	0.4
285.03641	8.9
299.05627	66.3
300.05978	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	299.0775
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
54.61331	0.5
59.01390	1.5
59.30658	0.6
62.29756	0.5
69.68686	0.6
70.35911	2.1
71.01405	0.8
74.99097	1.2
78.95900	0.8
85.02947	0.8
87.00933	0.5
93.03467	89.2
94.03806	2.0
97.81217	0.5
108.50152	0.5
113.68513	0.6
120.99677	3.5
131.51752	0.5
137.02455	100.0
138.02780	3.2
159.52020	0.5
284.03323	1.0
299.02618	1.2
299.05710	1.3
308.21558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.01886	1.0
57.03445	1.6
58.00598	2.5
59.01385	67.9
59.03365	1.1
71.01389	31.5
71.24210	1.7
72.10973	0.9
72.99313	3.9
73.02946	1.8
74.99107	2.5
83.01389	1.9
85.02962	8.1
87.00883	1.5
89.02455	29.5
93.03468	28.1
93.04036	1.9
95.01393	3.6
96.95990	1.0
97.02921	0.9
101.02449	18.8
102.32770	1.0
107.05047	1.4
111.08191	1.1
113.02462	15.3
119.03513	11.0
121.02982	7.3
129.12460	0.9
135.04527	1.7
136.01688	10.0
136.05272	2.0
137.02460	100.0
138.02812	3.7
138.05620	8.6
149.02483	3.1
151.04012	5.7
174.99287	2.2
179.03514	50.5
186.06358	0.9
209.04596	8.0
217.00304	11.1
239.05623	22.4
240.05940	1.2
284.03256	3.6
284.06540	1.4
299.07794	54.4
300.08099	4.1
300.10995	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	299.1655
Annotation	Miltipolone
Peak:m/z	Relative Intensity
54.00933	0.3
59.01384	4.3
69.41728	0.3
78.31860	0.3
97.17226	0.3
98.03748	0.3
107.01488	0.4
117.03482	13.6
118.04385	0.4
119.05036	4.3
121.02972	3.6
123.04557	1.1
133.02963	1.2
138.05602	0.8
145.02966	62.8
146.03296	3.0
153.66753	0.3
162.03238	1.1
163.03992	1.5
174.99255	1.2
199.04065	0.6
217.00307	5.4
223.68341	0.3
227.03506	0.4
232.03604	0.4
256.03781	0.5
269.04559	0.4
271.02536	3.3
284.03357	3.2
284.06281	0.6
295.33301	0.3
299.02008	4.4
299.05493	2.1
299.16544	100.0
299.25433	1.9
300.02219	0.4
300.16876	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	299.1655
Annotation	Artepillin C
Peak:m/z	Relative Intensity
59.01387	86.2
72.36137	2.2
74.23098	2.5
75.00843	2.5
95.80009	2.2
96.96056	2.8
103.81610	2.6
109.02953	3.2
120.10467	2.7
132.98178	2.9
133.02968	6.5
138.05623	7.6
174.99286	23.6
185.09702	11.2
209.18222	2.3
217.00314	100.0
218.00615	3.9
225.11195	3.9
227.07112	5.5
253.16034	8.3
255.17578	52.1
256.03745	3.8
256.17981	3.6
259.02374	2.8
269.15399	4.9
271.02481	10.7
271.09860	2.7
284.03281	31.7
299.02023	15.8
299.05649	28.0
299.08926	3.7
299.16409	9.2
299.25912	4.0
305.26477	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	299.2595
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
54.09718	0.8
57.68323	0.6
59.01385	9.9
65.14138	0.7
71.54416	1.1
75.30668	0.7
108.46293	0.7
113.93390	0.8
133.03024	1.3
138.05617	2.4
141.12874	3.2
174.99265	1.8
199.04031	1.0
217.00313	11.0
241.72583	0.8
253.25359	1.3
256.03647	1.0
271.02527	6.4
271.22906	0.8
281.24939	2.3
284.03241	7.5
284.06274	1.3
285.03625	0.9
291.09488	0.8
297.24356	0.8
299.01944	7.4
299.05527	4.8
299.08682	1.3
299.20557	19.1
299.25909	100.0
300.20477	2.3
300.26245	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	300.088
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
53.63745	0.5
59.01385	2.8
78.95897	2.1
93.03485	0.7
107.01411	0.6
119.39308	0.5
123.00939	0.8
127.35514	0.6
138.05623	3.8
151.00319	0.9
168.23392	0.5
183.08115	0.7
206.06169	0.7
209.06113	2.9
211.07639	1.7
218.00676	2.2
219.06845	1.0
220.04259	0.6
220.07674	2.7
221.04883	1.0
227.07054	0.7
236.07228	1.3
237.05542	1.7
238.06366	1.8
239.07170	2.8
240.07944	1.0
241.08704	4.1
251.07196	0.9
254.05708	0.7
255.06654	0.6
264.06616	4.0
269.08264	6.9
270.08917	4.4
282.07788	1.1
283.08551	3.4
285.03717	1.4
300.08786	100.0
300.99905	3.0
301.03458	1.3
301.09143	7.6
301.11935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00362	0.3
58.00591	0.3
58.02980	0.3
59.01381	2.0
59.30171	0.3
67.36177	0.2
68.01418	3.3
69.65247	0.8
69.65659	0.6
70.31827	0.2
71.01378	0.4
94.06598	0.2
95.05070	0.3
95.95279	0.3
96.04565	0.4
96.96055	0.4
98.95607	1.0
101.02437	0.3
110.06174	0.3
120.89378	0.3
122.02507	1.2
122.06178	0.4
123.03275	6.3
124.04028	0.4
124.07688	0.9
128.03558	1.0
130.08754	2.8
136.07674	0.4
137.04825	1.2
138.05623	100.0
139.05968	3.2
143.11908	0.8
152.03592	0.3
152.07169	1.7
166.08742	0.6
167.05913	2.4
168.06680	0.6
180.06686	5.7
197.13025	0.4
210.07802	0.4
214.15697	0.8
240.08620	0.4
280.83002	0.3
291.79288	0.3
300.10895	13.1
300.15622	1.2
301.11237	1.0
301.14215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91092	0.4
59.01388	2.4
68.01421	0.7
71.01394	1.1
71.53249	0.4
71.54020	0.4
74.99114	1.2
87.00866	0.4
89.02473	0.4
93.03481	0.6
95.05030	0.6
96.96021	0.4
108.08266	0.4
111.25812	0.4
113.02469	0.4
117.03499	0.4
120.99671	1.7
121.02961	0.6
122.02470	0.5
123.00909	0.5
123.03278	9.4
124.07678	0.4
129.81177	0.5
136.99156	0.5
137.02425	0.6
137.04858	0.8
138.05624	100.0
139.05954	3.6
147.11972	0.4
151.00322	0.6
151.08885	0.4
152.07181	0.9
162.83894	0.6
167.05882	0.6
180.06693	2.3
207.48222	0.4
271.06204	0.8
300.10886	5.2
300.99969	0.9
301.10941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	96.6
60.01721	1.1
70.11195	1.8
74.53788	0.4
74.99380	0.4
100.72029	0.4
104.48180	0.4
114.98921	0.6
115.02524	11.7
116.02645	1.0
116.98685	0.7
117.00456	7.9
118.00574	0.7
141.00563	0.5
156.93089	2.3
156.99895	0.7
157.03606	2.6
158.92825	0.6
159.01509	100.0
160.01646	6.7
201.02571	24.7
202.02766	1.5
217.00620	0.9
241.00545	0.7
259.01596	3.4
260.01730	0.5
280.56653	0.4
283.01917	0.5
301.02695	44.8
302.02826	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	301.0358
Annotation	Isoetin
Peak:m/z	Relative Intensity
57.03448	1.2
59.01383	2.2
63.02400	8.1
65.00327	10.1
69.55193	3.3
69.55600	1.4
72.97756	0.6
75.65886	0.7
78.95898	1.2
83.01398	7.5
83.05032	0.9
93.03480	2.5
95.01403	1.5
105.03474	2.3
107.01394	14.2
109.02944	0.8
119.01322	0.8
119.05064	2.1
121.02962	7.0
121.06548	0.9
123.00891	1.9
123.04559	0.8
124.01668	1.3
125.02457	3.6
131.05013	1.3
133.02939	2.1
137.02443	1.0
138.03258	0.9
143.05074	4.2
145.02936	3.4
145.06577	1.6
147.00859	1.9
147.04541	5.2
148.01704	0.8
149.02448	10.0
151.00386	20.3
155.05069	1.9
157.06580	1.0
159.04503	3.3
161.02438	1.7
161.06105	2.8
161.12184	0.7
165.01923	0.9
167.04953	0.9
169.01508	1.3
169.02946	0.9
169.06596	1.5
171.04497	3.4
173.02390	2.1
173.06146	1.1
175.00441	0.9
177.01930	1.5
178.99858	2.4
182.03680	1.3
183.04541	4.5
183.13950	1.1
185.02501	2.4
185.06082	3.4
187.04048	4.1
189.05528	3.1
191.03510	1.2
199.03951	1.4
200.04742	0.8
201.02029	1.3
201.05540	1.2
203.03419	0.9
211.04018	4.9
211.13417	2.8
213.05524	3.7
214.02736	1.3
215.03534	3.5
219.26768	0.7
227.03510	14.8
228.03946	1.3
229.05090	5.1
229.14423	2.4
239.03465	2.2
240.04321	2.5
255.03003	61.8
256.03442	5.3
257.04584	45.1
257.12701	1.1
258.04953	4.0
271.02652	1.0
273.04095	2.8
283.02502	64.1
284.03162	11.9
285.03763	1.6
300.99951	8.7
301.03525	100.0
301.10901	2.3
301.14584	2.8
301.20157	13.2
302.03894	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	301.0357
Annotation	Bracteatin
Peak:m/z	Relative Intensity
56.20779	0.6
57.03456	8.8
59.01376	1.3
63.02414	3.5
65.00330	6.9
69.26601	5.5
69.27006	1.5
72.99316	0.9
81.03461	0.8
83.01392	7.0
83.17093	0.7
87.00906	1.1
91.01916	1.4
93.03468	10.8
95.01394	1.6
107.01401	8.2
107.05036	2.0
108.02195	0.9
109.02962	2.0
111.00885	2.5
113.02494	0.6
117.03452	1.9
119.01410	0.8
119.05005	1.3
120.99662	1.6
121.02966	14.2
123.00907	2.0
124.01673	1.9
125.02461	36.6
126.02789	1.0
131.05063	0.9
133.02991	1.4
135.00883	1.3
135.04539	4.4
137.02490	3.6
139.04021	2.0
143.05025	2.2
145.02960	3.9
147.00900	1.2
147.04495	1.0
148.01639	0.8
149.02449	8.5
150.99208	1.2
151.00377	15.0
152.01146	2.1
153.01939	1.6
155.05064	1.8
157.06659	0.7
159.04539	5.9
161.02463	1.3
161.06114	0.9
163.00352	0.9
163.04021	6.4
164.01152	0.8
165.01912	2.3
167.05167	0.8
169.01511	0.9
171.04523	1.9
173.02402	1.0
173.06058	1.2
175.04050	1.3
177.01961	2.3
177.05566	1.5
178.99904	5.7
182.03790	1.1
183.04544	5.1
185.06075	2.2
187.04036	7.3
191.03496	2.6
191.05618	0.8
195.04449	0.9
197.06108	1.2
199.04022	1.8
201.05574	2.6
203.03542	1.1
205.05092	2.1
209.11823	0.8
211.03926	5.5
213.01924	0.9
214.02696	1.5
215.03517	6.0
217.05031	0.8
227.03459	6.2
228.04160	1.3
229.05006	3.6
233.04564	1.0
239.07162	2.2
243.02982	1.2
245.04599	2.5
255.03029	6.9
257.04608	1.7
257.08157	1.0
257.84744	0.8
263.07925	2.1
273.04071	46.5
274.04465	3.7
283.02505	1.4
301.03552	100.0
302.03931	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	301.0718
Annotation	Hesperetin
Peak:m/z	Relative Intensity
51.96452	0.5
54.08940	0.4
57.03454	0.9
59.01378	1.5
63.02399	0.6
64.32072	0.5
65.00340	5.2
65.83087	0.4
68.16324	0.4
69.59425	0.4
71.01387	0.5
71.54855	0.7
80.02691	2.7
83.01397	4.4
90.50683	0.5
93.03442	0.6
93.12475	0.4
101.66027	0.4
107.01408	10.1
108.02195	12.2
121.02979	0.6
123.00868	1.8
124.01655	1.7
125.02470	7.7
134.03763	11.9
135.04581	2.3
136.01678	11.7
138.05699	0.6
149.06078	1.3
151.00386	19.6
152.01062	0.9
158.03740	1.7
160.01648	0.8
164.01180	15.8
165.01825	0.7
171.04721	0.5
173.06070	1.1
174.03227	5.3
175.03845	0.7
176.04787	0.9
177.01944	1.7
183.13828	0.5
185.02460	1.5
185.06096	0.7
187.04053	0.9
188.04749	1.0
191.07170	0.9
196.00153	19.0
197.00340	0.7
198.03186	1.0
199.04022	7.4
200.01210	0.5
200.04797	2.8
201.01962	5.2
202.02675	0.8
213.05539	1.3
214.06332	2.1
215.03487	3.7
215.07022	0.9
216.04201	1.9
224.04762	0.9
227.03577	2.4
233.08150	0.7
240.04295	1.6
241.05092	3.2
242.05878	10.3
243.06317	0.7
257.04471	0.7
257.05853	0.5
257.08203	4.5
258.05319	2.3
259.06067	0.8
268.03821	1.0
283.02768	0.9
283.06143	1.8
285.04102	3.3
286.04861	11.2
287.05243	0.8
301.00211	4.9
301.07196	100.0
301.14471	1.9
302.07541	8.3
302.14752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
59.01378	1.6
59.71446	0.7
63.02399	2.3
65.00339	2.1
68.38791	0.5
70.07342	0.6
71.01394	0.8
78.01273	0.6
78.95911	2.1
79.43811	0.6
81.85741	0.5
83.01390	1.9
93.03466	1.1
102.21375	0.5
105.03472	0.8
107.01418	4.2
112.81696	0.6
120.99644	0.9
121.02946	2.8
123.00867	1.1
125.02415	1.1
125.09688	1.1
129.09233	1.6
133.02979	0.9
135.04591	0.9
137.02423	0.7
143.04993	1.2
145.02971	0.9
147.04527	1.9
149.02443	4.9
149.22249	0.7
151.00377	6.4
159.04536	0.8
161.02420	1.3
161.06085	0.7
163.00351	0.6
167.04967	0.8
171.04521	2.3
173.02385	0.7
173.04591	1.2
173.06107	0.9
178.99820	0.9
183.04507	1.8
183.13858	1.2
185.06067	1.5
187.04010	3.4
189.05580	0.9
199.04008	3.0
201.05519	1.4
204.36465	0.6
211.04047	2.7
211.13365	2.2
212.04802	6.1
213.01906	0.6
213.05484	1.5
214.02542	0.8
215.03513	12.1
216.03757	0.8
227.03535	9.6
228.04047	1.2
229.05119	3.1
238.02789	1.0
239.03549	11.4
240.04269	7.3
241.05054	0.9
242.02151	1.2
243.02992	14.0
244.03310	0.7
253.05035	2.3
253.99823	0.8
254.02174	4.0
255.03012	22.0
256.03510	2.2
257.01797	1.2
257.04590	25.7
257.86081	0.7
258.05124	3.4
267.02884	3.1
268.03775	6.6
269.04575	18.7
270.01666	1.4
270.04755	1.2
271.02487	7.7
273.04037	1.2
283.02515	19.6
284.03149	5.0
285.04071	36.4
286.04849	51.4
287.05295	4.8
297.04013	0.8
300.99902	5.8
301.03574	31.5
301.07166	100.0
301.20197	12.0
302.03857	3.0
302.07486	10.5
302.20590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96452	0.5
54.08940	0.4
57.03454	0.9
59.01378	1.5
63.02399	0.6
64.32072	0.5
65.00340	5.2
65.83087	0.4
68.16324	0.4
69.59425	0.4
71.01387	0.5
71.54855	0.7
80.02691	2.7
83.01397	4.4
90.50683	0.5
93.03442	0.6
93.12475	0.4
101.66027	0.4
107.01408	10.1
108.02195	12.2
121.02979	0.6
123.00868	1.8
124.01655	1.7
125.02470	7.7
134.03763	11.9
135.04581	2.3
136.01678	11.7
138.05699	0.6
149.06078	1.3
151.00386	19.6
152.01062	0.9
158.03740	1.7
160.01648	0.8
164.01180	15.8
165.01825	0.7
171.04721	0.5
173.06070	1.1
174.03227	5.3
175.03845	0.7
176.04787	0.9
177.01944	1.7
183.13828	0.5
185.02460	1.5
185.06096	0.7
187.04053	0.9
188.04749	1.0
191.07170	0.9
196.00153	19.0
197.00340	0.7
198.03186	1.0
199.04022	7.4
200.01210	0.5
200.04797	2.8
201.01962	5.2
202.02675	0.8
213.05539	1.3
214.06332	2.1
215.03487	3.7
215.07022	0.9
216.04201	1.9
224.04762	0.9
227.03577	2.4
233.08150	0.7
240.04295	1.6
241.05092	3.2
242.05878	10.3
243.06317	0.7
257.04471	0.7
257.05853	0.5
257.08203	4.5
258.05319	2.3
259.06067	0.8
268.03821	1.0
283.02768	0.9
283.06143	1.8
285.04102	3.3
286.04861	11.2
287.05243	0.8
301.00211	4.9
301.07196	100.0
301.14471	1.9
302.07541	8.3
302.14752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	0.7
59.01380	1.5
62.13472	0.4
71.54411	0.7
74.99095	0.9
75.33807	0.5
83.01390	0.5
87.00837	0.5
101.90271	0.4
108.02215	1.5
116.05083	5.6
120.99670	100.0
122.00034	1.5
123.00873	0.9
123.04528	2.5
128.03557	3.6
130.08751	6.4
130.44145	0.4
131.81435	0.5
134.03780	4.0
136.01660	0.5
138.03218	0.7
149.06094	9.5
150.03268	0.8
151.00351	1.0
165.05586	1.0
170.04601	0.8
173.07175	2.2
176.01208	1.0
191.05690	0.6
211.08775	1.0
212.71468	0.4
213.05927	6.3
237.06509	0.5
239.08363	3.7
241.14316	0.4
243.11848	0.6
271.06168	1.2
286.08768	0.5
300.99945	2.2
301.03632	1.1
301.07458	2.7
301.11359	0.9
301.16830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
57.51736	0.4
60.97505	0.7
62.76109	0.4
69.46143	1.1
69.46567	1.6
71.82861	0.4
73.13930	0.4
74.99097	0.7
75.01828	0.3
95.69160	0.4
98.19786	0.4
108.27699	0.4
118.96261	0.9
134.99425	5.1
136.97330	1.8
141.07413	0.4
143.05344	1.5
150.68245	0.3
159.08475	1.2
161.06401	5.5
187.02489	0.5
187.63458	0.4
201.04181	0.6
203.05673	4.0
205.03590	0.7
215.05679	1.5
217.07214	83.4
218.07321	5.6
259.23788	0.4
283.11893	0.7
285.13480	33.6
286.13693	3.7
301.16614	100.0
302.16846	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	303.0514
Annotation	Taxifolin
Peak:m/z	Relative Intensity
53.55005	0.5
57.03454	16.8
59.01381	1.2
65.00333	2.8
68.99853	0.5
69.37725	3.6
73.58677	0.4
74.20307	0.5
78.92493	0.5
81.03470	1.1
83.01396	6.7
85.02926	0.9
93.03461	1.2
95.01439	0.7
96.96037	1.3
107.01406	2.2
108.02184	1.0
109.02956	3.8
111.00898	2.7
115.07673	3.4
118.35571	0.5
121.02985	2.2
123.04544	6.3
124.01675	2.5
125.02461	100.0
126.02785	2.5
133.02982	0.9
137.02469	1.9
139.04039	2.5
145.02986	1.1
146.03726	1.0
147.04544	1.8
149.02472	5.6
150.03247	6.7
151.00383	7.9
151.04021	9.0
152.01170	3.7
152.04301	0.6
153.01952	7.6
159.04565	0.7
161.02483	1.8
161.06117	1.3
163.00433	0.7
165.05618	1.1
171.04524	2.1
172.05217	0.6
173.06082	1.5
174.03194	3.3
175.04022	19.1
175.05553	1.0
177.01945	16.7
178.02347	0.7
178.99898	7.4
181.01407	2.0
185.06096	0.7
188.04759	2.6
189.05605	3.9
191.03644	0.7
193.05098	3.6
197.06053	1.0
199.04025	7.7
200.04512	1.1
201.01968	3.1
213.05588	1.9
215.03561	1.0
216.04327	2.1
217.05093	9.9
219.02966	0.8
231.06660	2.2
241.05086	6.3
243.03067	1.3
250.11098	0.6
255.57780	0.5
257.04630	1.8
259.06085	6.0
275.05682	5.1
285.04080	56.9
286.04440	3.9
303.05145	7.9
304.05386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89225	1.3
57.03427	1.4
59.01385	100.0
60.01714	1.3
62.77407	1.3
69.09587	1.2
71.01391	15.8
71.54411	1.6
73.02957	13.1
83.01401	3.8
85.02940	1.5
89.02454	5.6
96.96033	1.7
101.02459	12.7
103.05811	1.3
113.02436	5.3
119.03484	1.3
125.02446	1.6
185.11874	4.4
223.48274	1.2
303.09009	3.3
303.14502	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	303.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76257	1.0
55.01904	1.2
56.02729	1.1
56.29239	1.3
59.01386	100.0
68.66927	0.9
69.29035	10.3
71.01393	13.8
72.99303	1.1
73.02947	13.1
75.98042	1.2
83.01405	3.5
85.02955	2.6
89.02456	6.4
96.96020	1.1
101.02464	10.5
110.08604	1.1
113.02470	4.2
119.03437	1.8
125.02470	1.3
125.04575	1.2
149.20924	1.2
161.04530	1.3
185.11897	3.8
187.07579	1.2
204.32074	1.2
244.12511	0.9
259.06042	1.1
303.01404	1.5
303.05246	1.4
303.08835	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	304.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13481	0.2
59.01385	8.2
60.01719	1.0
61.01818	0.3
61.98837	100.0
69.19066	1.5
69.19492	0.8
75.90405	0.2
109.10875	0.2
116.02612	0.4
117.00446	0.3
117.02286	0.7
119.00225	0.5
134.97099	0.2
140.53331	0.2
146.93387	0.3
159.01553	1.4
160.01642	3.7
161.01210	4.2
161.98964	19.4
162.01677	0.9
162.96625	0.8
162.99068	1.4
201.02699	0.3
202.02734	1.0
203.02411	0.9
204.00014	3.8
204.02834	0.4
205.00250	0.3
261.98999	0.3
304.00168	11.6
304.02896	3.0
304.99860	1.6
320.84293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03030	0.2
58.02980	41.5
59.03328	0.5
69.22251	0.2
71.13813	0.3
81.62041	0.2
92.99444	0.2
141.01767	0.4
168.13950	100.0
169.14297	5.5
191.82053	0.2
212.12949	3.5
221.06104	0.2
304.19122	0.8
321.02429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39013	0.4
59.01387	35.5
62.32879	0.4
66.10971	0.5
69.34757	3.2
69.35157	1.0
79.95761	2.1
80.16909	0.5
81.03432	0.6
87.69691	0.4
95.13918	0.4
96.96022	100.0
97.06597	1.6
135.08150	0.5
147.08156	1.8
150.83698	0.4
225.11336	22.9
226.11678	1.0
256.93842	0.4
276.49936	0.5
305.07025	78.5
306.07343	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	305.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	38.3
61.02308	0.4
63.37106	0.4
66.19600	0.4
66.20727	0.4
69.46045	2.6
69.46441	0.9
70.37460	0.6
79.95723	2.4
96.96022	100.0
97.06606	1.3
98.20636	1.0
108.39397	0.5
126.44702	0.5
132.42336	0.5
135.08142	0.8
142.96194	0.6
145.89348	0.5
147.08174	0.9
165.09254	0.6
225.11348	20.6
226.11690	1.3
305.07028	61.9
306.07175	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	305.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77610	1.3
53.92147	1.2
55.01880	5.4
55.04450	1.2
57.03455	22.8
57.65593	1.3
59.01379	2.5
59.91976	1.3
67.01891	2.8
68.99570	1.9
71.01393	6.2
72.99319	3.2
73.02943	2.5
75.00917	1.7
83.01405	11.9
84.02151	3.3
85.02958	100.0
86.03320	1.7
87.00870	2.8
96.96012	3.0
99.00883	1.9
99.04526	13.5
101.02484	6.2
111.00896	29.2
112.98607	2.9
119.23336	1.3
120.99689	2.0
129.01959	46.6
130.02298	2.3
133.01427	3.0
158.48372	1.2
161.04567	3.3
182.43700	1.3
204.46326	1.2
205.03520	17.1
305.08847	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	305.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01708	1.2
71.01381	8.8
73.02953	3.0
76.41595	1.0
79.95753	1.8
80.96530	11.0
83.01420	2.0
85.02964	4.6
87.00893	2.2
90.98598	1.5
93.03434	1.4
96.96033	2.0
101.02457	7.7
105.03474	2.4
111.92946	2.1
113.02435	2.6
126.03142	1.0
133.02963	16.7
134.03795	6.1
135.04501	5.0
137.02466	4.9
139.04019	2.1
140.70856	1.0
159.03017	1.0
161.02400	2.6
161.04582	3.2
177.01945	2.5
178.02737	13.5
179.03531	3.3
180.65997	1.1
192.40427	1.0
208.14745	1.1
245.02551	1.3
253.04021	1.1
263.14972	6.0
273.07809	1.6
303.19656	3.7
305.08981	4.7
305.21225	1.8
306.07339	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01882	1.5
57.03449	2.5
59.01380	9.0
65.03958	3.1
69.03439	2.5
69.46149	8.0
71.01387	1.8
71.05049	6.2
71.05355	1.2
74.02852	1.3
79.05543	11.4
80.02700	1.3
81.03471	1.0
83.05063	1.7
85.02934	1.8
85.62724	1.2
93.03461	2.6
95.05018	2.5
97.06600	14.5
98.19956	2.0
106.02309	1.1
106.04264	9.1
107.05060	2.4
108.02213	1.7
109.06574	3.1
117.07096	1.6
119.04999	1.6
120.05820	5.8
121.06635	5.5
123.08168	7.7
125.09735	23.4
129.65187	1.2
131.82826	1.1
133.02995	1.6
133.06558	1.3
135.08179	100.0
136.08481	4.7
137.09727	2.2
139.11238	1.2
141.01718	4.1
151.11307	2.5
161.06093	1.4
162.06754	1.8
163.11281	1.7
175.11179	1.6
177.12880	1.5
178.02689	1.9
183.10304	1.9
185.11815	2.7
189.12926	1.8
205.15895	5.4
207.10217	2.1
209.11806	1.7
221.11752	1.6
226.15778	1.2
231.13995	1.4
243.17773	1.3
249.14967	44.1
250.15280	4.9
263.16479	1.3
269.15530	2.5
277.08804	1.1
277.18091	2.7
287.16620	10.2
288.16888	1.2
305.08200	2.0
305.17603	77.8
306.17905	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	305.2489
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
53.64341	0.8
56.12397	0.7
59.01376	1.4
69.16354	8.6
71.01379	1.3
89.00350	1.1
104.16770	0.8
126.05577	0.7
155.10806	0.8
168.10730	0.7
305.24878	100.0
306.25223	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	307.0862
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
54.71957	0.3
57.03460	0.5
59.01389	2.7
60.35120	0.3
60.74545	0.4
69.43311	0.8
69.43716	1.8
71.01372	0.5
79.95741	1.7
85.02952	2.3
91.83977	0.4
96.96024	100.0
97.95917	0.4
101.02483	0.7
104.44430	0.4
107.64616	0.3
113.02462	0.5
119.05067	0.4
127.99085	0.4
135.04564	1.4
153.12901	0.4
165.12878	3.3
174.01750	0.6
176.04048	0.4
179.03465	1.8
185.02397	0.4
197.11925	0.6
209.11826	0.9
209.31892	0.4
227.12914	16.2
228.13196	0.7
307.08597	57.8
308.08932	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75771	0.6
58.00594	1.3
59.01389	38.2
68.57935	0.7
69.86413	0.7
70.35639	1.6
70.36034	1.4
71.01388	20.5
71.67992	0.6
72.99326	1.3
73.02950	0.8
83.01379	0.7
83.11312	0.6
85.02955	3.8
87.00918	0.7
87.62589	0.7
89.02454	19.5
95.01395	1.4
96.68514	0.7
99.04549	1.7
101.02456	9.3
105.31941	0.6
113.02467	6.6
119.03532	9.1
127.04029	100.0
128.04410	3.5
145.37340	0.6
150.52298	0.7
160.01534	0.7
307.10327	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	307.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26435	1.1
55.01882	4.3
56.68275	0.9
57.03451	18.9
59.01382	4.0
67.01895	1.4
68.99851	1.1
69.80056	1.7
69.80466	4.5
71.01392	7.8
72.99331	1.6
73.02942	2.8
75.00874	1.3
77.84883	1.0
83.01390	10.0
84.02190	2.1
85.02957	100.0
86.03313	2.2
96.96026	3.5
98.95670	1.9
101.02476	5.3
101.06088	21.8
103.04091	1.5
111.00893	35.0
113.02353	1.0
129.01959	46.3
130.02425	1.2
134.03709	1.1
135.04541	54.5
136.04868	2.9
161.02519	2.8
161.04555	3.0
179.03516	55.4
180.03856	2.9
187.02513	1.9
192.10797	1.2
205.03535	20.2
223.04617	3.1
223.60704	0.9
261.32898	1.1
274.08945	1.1
289.06979	1.4
307.08310	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	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30699	0.3
59.01385	0.5
59.96719	0.4
70.03471	1.1
74.98676	0.7
74.99078	6.0
91.02240	2.9
93.00141	1.4
103.22290	0.4
143.05367	0.6
149.00993	2.1
159.08484	7.0
160.08768	0.4
161.06447	1.6
168.58488	0.4
192.98148	0.7
206.99696	1.5
209.01219	2.1
217.07292	0.9
223.02856	50.5
224.02873	4.5
225.17920	0.4
231.31519	0.4
241.03915	0.8
259.80591	0.4
286.26840	0.3
289.07669	2.5
290.07813	0.5
291.09134	100.0
292.09268	12.3
301.95538	0.3
307.12354	2.8
307.19153	0.6
309.10254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
69.44842	3.2
71.01370	0.6
74.99080	8.1
74.99474	0.7
75.96208	0.6
77.74937	0.4
82.47654	0.4
91.02219	2.5
93.00158	2.4
101.02457	0.4
107.75846	0.4
116.55711	0.4
120.51152	0.4
127.91636	0.4
143.05302	0.6
149.00967	2.8
159.08493	7.7
160.08748	0.6
161.06415	1.9
179.03288	0.4
192.98100	0.6
206.99654	1.3
209.01193	2.5
223.02847	53.5
224.02908	4.0
265.11948	0.5
278.88675	0.5
289.07559	1.9
290.07501	0.4
291.09119	100.0
292.09229	12.8
307.12405	2.7
309.10184	0.6
322.62286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15683	3.0
55.01883	2.9
57.03438	7.6
58.65370	2.7
59.01394	18.5
69.03435	2.9
69.52203	20.7
71.01397	6.8
71.05027	3.5
79.95760	4.3
80.02671	4.1
81.03450	4.7
83.01366	6.0
83.05043	6.8
85.02973	2.8
85.64705	3.4
89.02474	3.1
93.03468	3.7
94.45074	3.0
95.05003	4.3
97.02954	6.3
97.06574	14.6
101.02488	4.1
106.04264	4.4
121.06596	5.5
123.04539	8.8
123.08213	4.8
125.09762	17.7
135.04509	5.6
135.08231	5.1
137.06210	3.6
137.09721	18.4
141.12941	3.5
149.06189	3.4
149.09694	3.4
151.11252	5.9
161.09618	3.0
163.07671	3.6
163.11327	17.5
165.12808	9.5
167.10724	4.1
171.10309	6.4
177.02504	2.8
179.10854	4.7
181.12375	9.2
185.11856	24.4
190.40837	3.2
191.10782	4.2
191.14406	24.1
198.33586	3.3
205.15962	6.6
207.10255	10.7
209.11848	46.2
211.13399	5.5
225.11273	6.8
233.15454	3.7
245.19121	45.0
246.19426	4.6
249.14963	7.0
263.20148	9.1
271.16962	6.4
286.88348	3.1
289.18134	100.0
290.18484	12.1
307.19202	66.3
308.09470	6.1
308.19226	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.5
57.03444	6.1
58.08022	1.6
59.01368	5.6
65.03970	64.8
65.40343	1.8
69.03430	1.9
69.81437	1.9
70.21170	5.6
70.21498	1.6
71.01386	4.3
71.05030	34.6
83.05022	6.7
93.03451	10.7
96.96008	1.9
97.06602	75.7
97.07225	4.2
98.06883	2.1
101.02446	1.7
106.53850	1.7
107.05045	2.4
109.06609	3.0
112.41039	1.8
117.07100	7.2
119.05015	1.9
119.08686	27.3
121.06615	100.0
122.06914	3.7
123.08119	5.6
125.09737	53.2
126.10062	2.1
133.06590	3.0
135.04552	3.8
135.08177	42.1
137.09717	4.9
144.74153	1.9
163.11308	3.4
167.46204	1.6
171.10277	28.4
173.71765	1.6
179.03568	3.9
185.11844	78.3
186.12177	2.8
209.11821	35.6
211.13419	39.0
212.13705	2.1
235.13417	86.1
236.13864	8.3
249.14835	3.0
263.07022	2.9
263.10693	3.5
271.17215	2.2
289.18130	43.8
290.18307	4.0
307.19168	35.6
308.19485	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	6.2
59.01377	10.0
61.98829	4.6
64.46571	2.2
65.03970	65.4
66.04315	2.6
67.01875	2.7
67.29113	2.1
71.01394	6.2
71.05025	32.8
83.05038	4.0
85.02945	3.8
93.03494	4.0
95.05044	2.6
97.02996	2.4
97.06601	73.4
98.06935	2.4
101.02453	3.6
109.06600	3.7
109.17368	2.2
114.49738	2.5
119.08688	15.0
121.02864	2.5
121.06607	100.0
122.06944	3.1
123.08199	5.6
125.09740	46.1
128.77254	2.2
134.25650	2.5
135.04527	26.5
137.09708	6.4
151.04063	2.6
179.03493	14.5
185.11842	93.6
186.12218	4.5
209.11862	35.6
211.13385	34.4
235.13402	98.3
236.13751	9.1
245.19144	3.6
250.87012	2.2
261.09302	2.5
263.10739	10.1
264.11420	4.9
289.18146	30.2
307.06000	5.0
307.10037	5.4
307.13391	4.0
307.19171	43.1
308.19388	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32675	1.0
57.03444	3.0
59.01370	4.7
70.84478	1.8
70.84808	1.9
71.01392	2.1
73.02939	2.1
85.02960	1.4
89.44765	1.1
95.05006	1.7
97.06587	4.3
107.08676	19.5
119.08672	4.8
123.04513	2.0
123.08228	7.1
125.06113	1.8
125.09750	14.3
135.04533	1.4
135.08177	3.0
137.09731	9.6
139.11302	3.2
141.09164	1.7
149.09683	1.6
151.11281	2.0
153.09230	2.3
155.10861	1.3
156.19456	1.3
171.10332	6.2
181.12398	2.8
183.13943	1.7
185.11794	1.5
191.14342	2.4
194.12886	1.1
199.09763	23.7
199.13452	5.3
200.10541	7.4
201.11279	1.5
209.15483	3.1
213.11359	7.2
226.12155	1.7
234.91772	1.2
245.16521	1.8
245.19116	21.4
246.19482	1.8
263.20050	6.9
271.17102	2.7
279.19754	2.3
289.18112	49.4
290.18475	4.4
307.19177	100.0
308.19540	9.7
316.47171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.1
59.01394	9.4
67.01900	2.3
69.03455	2.3
69.48681	3.4
69.49108	4.8
71.01364	1.6
76.69895	1.1
79.95749	1.7
80.02670	2.0
81.03460	7.2
83.01399	9.1
83.05029	4.4
85.02942	1.7
93.03466	1.5
95.01431	1.1
95.05020	4.9
97.02959	5.8
97.06585	10.6
99.00846	1.7
106.04247	2.4
109.02943	1.3
109.06581	3.5
110.03797	1.9
121.06592	4.3
121.10256	1.7
123.04537	11.1
123.08168	5.3
125.06107	1.6
125.09739	20.8
135.04565	1.3
135.08212	3.1
137.06104	3.6
137.09732	15.9
141.12866	2.8
149.06082	2.4
151.11263	1.2
161.09712	1.8
163.07603	2.5
163.11305	13.8
164.11627	1.2
164.63623	1.5
165.09274	2.0
165.12875	4.4
167.10814	2.4
171.10310	2.8
177.12827	1.4
179.03381	1.5
179.10736	1.9
181.12372	5.7
185.11848	23.0
186.12151	1.7
191.10773	2.5
191.14439	19.1
192.14658	1.6
195.10295	1.3
195.13817	1.1
201.45929	1.3
207.10266	11.0
209.11853	37.6
210.12180	2.5
215.14204	1.2
217.16092	1.6
225.11365	10.0
226.11891	1.7
245.19109	43.1
246.19548	4.3
247.17136	1.6
251.12741	1.5
263.20227	2.4
271.17120	3.9
289.18112	100.0
290.18491	8.6
307.19165	55.3
307.22076	1.4
308.19348	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	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03442	7.9
59.01373	12.2
69.39249	23.1
71.01379	10.8
73.20502	3.3
77.13788	2.7
81.03498	3.4
81.28094	2.8
83.05036	4.4
85.65168	2.7
95.05042	5.2
96.96030	3.7
97.06578	18.8
101.02424	4.1
109.06586	5.9
111.08170	8.4
125.09691	6.5
135.04527	5.7
137.02397	3.0
149.09702	6.7
151.11281	21.1
153.09238	6.1
153.12842	3.3
153.84721	2.9
155.10779	11.6
163.11290	4.4
165.12843	19.8
167.10695	5.1
168.11568	2.9
169.01147	3.4
171.10167	3.9
179.10727	4.8
181.12321	26.0
191.10796	11.8
191.14417	7.9
197.11902	3.6
209.09924	3.8
209.11850	45.5
211.13374	7.0
226.11862	3.8
239.09442	4.3
245.19107	39.9
246.19508	3.5
263.20230	14.7
279.19711	5.6
289.18079	55.7
290.18347	5.3
307.15686	5.3
307.19168	100.0
307.22391	3.4
308.19504	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72993	0.5
55.01872	0.6
55.87218	0.6
57.03445	0.7
59.01392	3.7
68.83269	0.5
69.03440	1.1
70.60085	0.5
71.01375	1.3
71.05022	4.6
71.11341	0.6
71.53766	0.9
73.02966	0.5
77.43523	0.5
77.48869	0.5
80.02682	1.8
81.03464	1.6
83.01411	0.5
83.05035	1.9
94.68437	0.5
95.05031	2.1
96.96021	1.3
97.02938	0.7
98.03745	1.5
100.34418	0.5
106.04244	0.7
107.05066	1.3
109.02941	0.7
109.06602	14.6
110.03781	0.6
110.06953	0.9
111.04546	5.3
111.08174	1.4
112.05315	1.1
121.06579	0.7
121.10264	0.6
123.04524	0.5
123.08156	2.4
125.09695	0.9
127.07670	3.5
135.04510	1.6
137.09709	1.1
143.10773	2.2
145.06572	1.9
149.09715	1.6
151.11322	1.0
161.02359	0.6
163.11261	0.8
167.10760	2.0
177.09180	0.5
179.03484	0.7
179.10799	1.2
181.12294	0.6
191.14456	0.7
193.12469	0.5
195.13922	4.0
207.17705	0.6
235.13385	1.8
243.17509	0.6
245.19112	6.7
251.16571	1.1
263.10739	1.1
263.20148	0.6
264.11603	1.4
271.17068	1.4
273.15033	0.6
279.13885	1.0
282.92902	0.6
287.16595	2.1
289.18106	100.0
290.18427	10.1
307.10361	0.6
307.13348	1.3
307.16125	0.7
307.19128	10.4
308.19574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01387	4.9
67.93735	0.6
69.03453	0.8
70.05412	1.9
71.01375	1.2
71.05025	5.2
78.43503	0.6
80.02686	1.2
81.03461	2.4
83.05029	1.6
85.02941	1.0
85.40186	0.5
93.03465	0.6
95.05029	1.8
96.96028	1.5
97.02948	1.0
97.06548	0.9
98.03703	1.5
101.02446	0.8
106.04260	1.0
109.02972	0.6
109.06596	13.8
109.07800	0.5
110.06935	0.7
111.04539	7.2
111.08147	1.7
121.06545	0.9
123.04480	0.8
123.08241	1.2
127.07672	3.9
129.09238	0.7
135.04553	1.3
137.09740	1.6
143.10802	0.9
145.06573	2.4
149.06116	0.8
149.09708	1.0
160.82243	0.7
161.04567	0.9
167.10773	3.0
176.19066	0.6
177.12837	0.9
179.10840	1.5
181.12323	0.9
191.14433	1.1
195.13930	4.2
235.13358	2.1
245.19133	6.5
251.16559	1.1
263.20178	0.7
263.73807	0.6
264.11368	0.9
271.17059	1.9
287.16681	1.3
289.18103	100.0
290.18491	8.9
307.10324	1.1
307.13519	1.4
307.19119	13.5
308.19705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2283
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01381	0.4
63.52780	0.4
71.07924	0.9
87.22077	0.4
105.79633	0.4
137.71709	0.4
245.92300	0.5
271.65469	0.4
307.22794	100.0
308.23148	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	308.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01387	100.0
67.22741	0.9
70.09594	3.8
71.01379	2.5
83.01414	1.0
85.02966	2.7
89.02457	2.5
92.60292	0.9
96.96050	2.4
101.02495	2.0
111.00890	1.1
113.02435	1.1
134.91010	0.9
135.04483	1.5
136.04840	2.3
137.44554	1.0
142.97894	1.0
143.98489	1.2
154.55130	1.0
179.03520	1.7
179.35478	1.0
180.03911	1.3
206.03894	1.1
285.19162	1.0
309.11642	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	308.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05800	0.7
54.95043	0.9
55.05221	0.7
58.00589	1.6
59.01386	100.0
60.01700	1.3
67.16031	0.8
69.86589	3.6
71.01015	1.3
71.01392	20.3
71.05023	0.9
72.99314	1.5
73.02953	1.4
75.04360	0.9
81.27378	0.8
83.01393	1.0
85.02946	3.9
87.00872	1.4
89.02454	21.3
95.01408	2.0
96.96030	1.6
98.19946	1.0
101.02457	16.0
111.15145	0.7
113.02459	7.9
119.03510	10.4
135.04585	4.5
136.04842	3.2
147.06648	1.7
149.04498	0.8
151.12390	0.8
161.04517	2.1
179.03508	2.6
179.05516	1.3
180.03842	3.1
207.92209	0.7
239.41873	0.8
279.78784	0.8
309.11945	37.6
319.18185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53417	1.1
59.01384	2.3
71.01387	23.7
79.43397	1.1
81.03481	1.7
89.03951	1.5
115.00376	11.8
117.03487	8.0
121.02948	5.9
125.02423	5.6
132.34660	1.1
133.01443	4.5
134.03757	98.1
135.04071	3.5
137.02457	1.8
149.06088	8.0
178.02716	6.3
186.71785	1.2
193.05067	100.0
194.05409	4.7
309.14453	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	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27813	0.8
56.75519	0.8
59.11602	0.9
61.25550	0.9
69.80743	5.3
71.01392	26.0
88.99920	0.8
89.03978	2.5
98.19904	1.4
115.00394	8.0
117.03467	7.4
133.01430	1.1
134.03758	87.0
135.04074	5.1
137.02446	1.5
149.06097	6.9
157.07684	1.2
178.02745	5.4
193.05072	100.0
194.05455	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0773
Annotation	Methyl aristolate
Peak:m/z	Relative Intensity
50.90370	0.2
54.88670	0.3
59.01419	1.4
70.54778	0.8
71.01386	0.4
81.03513	0.4
81.70496	0.3
83.05061	0.7
85.02989	0.3
99.05312	0.3
100.07731	0.3
135.04582	2.1
136.04880	1.9
152.04384	0.3
175.04042	0.3
182.15564	0.6
185.44496	0.3
194.07336	0.3
195.08199	1.1
197.11862	0.4
208.05328	0.5
220.09178	0.3
221.06065	0.4
222.06895	3.8
222.15045	0.4
223.07652	8.7
224.08101	0.8
224.22020	0.3
225.05666	1.9
237.09209	1.5
250.06322	1.4
251.06790	0.5
263.07135	1.4
264.07895	0.4
265.08719	100.0
266.09073	9.4
266.13516	0.5
280.14841	0.3
309.04129	1.2
309.07693	15.9
309.20792	1.1
310.04193	0.3
310.07919	1.4
310.11075	1.0
310.16830	0.7
310.20291	2.6
311.48709	0.4
327.49973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.4
69.03427	0.4
70.62654	0.4
71.01387	0.4
80.96528	0.8
92.59957	0.4
101.70200	0.4
116.24642	0.3
118.81107	0.4
119.08676	0.5
120.23985	0.3
135.08203	0.5
137.09746	1.9
166.01210	0.4
171.10272	3.0
193.06651	5.6
194.07065	0.6
221.06119	7.3
222.06880	23.4
223.05334	0.3
223.07227	2.1
237.09254	2.8
247.07674	0.9
248.08388	1.5
249.05635	4.3
250.06367	100.0
251.06691	7.8
256.34293	0.4
264.07889	0.5
265.08713	35.4
266.09064	4.0
291.19693	1.4
309.04224	1.3
309.07690	21.9
309.11099	1.6
309.17413	0.6
309.20795	1.8
310.07928	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	309.0774
Annotation	Methyl aristolate
Peak:m/z	Relative Intensity
57.48644	0.4
59.01411	0.4
69.30573	0.9
69.30997	2.5
78.24641	0.3
96.96078	0.8
144.18384	0.4
193.06584	6.0
220.08847	0.3
221.06085	8.7
222.06876	25.5
223.07256	2.4
247.07645	2.5
248.08473	1.4
249.05620	4.3
250.06367	100.0
251.06712	9.0
251.10771	0.8
265.08710	33.2
266.06314	0.7
266.09052	2.7
294.05313	1.2
294.08597	0.5
309.04517	0.7
309.07690	21.7
310.08197	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	309.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15843	0.3
59.01368	0.6
62.84245	0.3
70.74229	0.3
71.54566	0.3
71.54940	0.4
81.08953	0.3
83.05011	0.8
96.95990	0.3
99.18021	0.3
135.04517	1.1
136.04860	0.9
152.02057	0.3
180.05792	0.4
194.07378	0.5
195.08165	0.9
208.05301	0.5
221.06111	0.4
222.06854	3.6
223.07652	9.9
224.07988	0.8
225.05545	1.9
236.08286	0.3
237.09233	1.5
238.06297	0.5
250.06349	2.2
251.11034	0.3
263.07077	1.1
264.07721	0.4
265.08710	100.0
266.09052	9.4
278.93372	0.3
291.06732	0.5
309.04300	0.6
309.07715	13.8
309.11115	0.7
309.20422	0.5
310.03870	0.5
310.07999	1.2
310.11075	0.6
310.20270	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	309.0771
Annotation	Methyl aristolate
Peak:m/z	Relative Intensity
59.01382	0.9
66.74582	0.3
74.86930	0.3
82.92026	0.3
83.81398	0.3
127.64892	0.3
165.67265	0.3
179.05930	0.3
188.65851	0.3
189.69449	0.4
193.06610	5.5
220.08923	0.4
221.06093	8.5
222.06871	25.3
223.07324	1.5
229.39661	0.4
237.05650	0.4
247.07655	0.4
248.08398	1.1
249.05580	5.0
250.06367	100.0
251.06714	8.9
251.09183	0.8
252.03853	0.3
265.08713	32.5
266.09018	3.7
291.19656	0.4
309.04044	5.9
309.07730	20.5
309.20615	0.7
310.04730	0.6
310.07990	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39028	0.7
55.01884	1.5
58.00591	1.3
59.01383	42.6
61.08847	0.9
69.47044	3.4
69.47463	1.8
71.01388	21.5
71.05025	20.2
72.95164	0.7
72.99284	1.4
73.02953	3.9
83.01406	3.5
85.02954	6.2
85.61946	0.8
86.44779	0.9
87.00857	0.7
89.02451	19.3
95.01394	1.8
99.04529	23.4
101.02452	16.6
106.19524	0.8
113.02459	7.8
119.03516	8.3
128.51614	0.7
129.05591	9.3
131.03491	0.8
132.35947	0.7
143.03499	0.9
147.06645	26.4
149.94032	0.8
161.04579	3.1
179.05705	1.3
193.70802	0.8
309.11926	100.0
310.12286	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
52.03859	0.7
55.01889	1.5
57.03449	0.8
58.00582	1.2
59.01385	38.1
59.66568	0.7
64.23061	0.7
69.67973	1.7
69.68365	1.7
71.01385	21.1
71.05030	17.3
72.04548	0.6
72.99335	1.5
73.02943	2.5
79.52702	0.8
83.01395	3.2
84.42552	0.7
85.02961	7.4
87.00899	1.0
87.27098	0.7
89.02457	18.3
95.01381	1.8
99.00874	1.0
99.04527	26.5
101.02456	15.7
113.02465	7.6
119.03521	7.7
129.05611	8.8
147.06653	25.1
148.06952	1.0
161.04562	3.5
179.05711	1.2
197.37579	0.7
220.42665	0.7
285.16290	0.7
309.11929	100.0
310.12250	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29202	0.8
57.03448	1.9
59.01379	2.4
63.21526	0.8
69.03465	1.2
71.01379	1.7
71.05026	1.1
71.13598	1.5
71.13922	1.1
75.95585	0.8
79.95712	1.1
80.02678	1.0
81.03449	1.1
83.01420	2.0
83.05048	1.1
95.05013	1.5
97.02948	0.9
97.06588	1.8
107.93379	0.7
119.48095	0.8
123.04497	2.3
123.08167	1.6
125.09780	3.9
136.04959	0.9
137.09726	2.3
139.11270	3.5
151.03963	1.3
151.07693	1.6
151.11302	2.5
152.08385	1.9
153.09248	2.5
155.10820	1.1
163.11302	1.6
165.12857	5.0
167.10803	2.3
169.12508	0.9
171.10310	2.4
177.12868	1.0
179.10725	1.0
179.14493	0.8
185.11780	1.5
193.12505	1.1
193.15923	2.4
209.11853	9.4
209.15390	1.2
247.20712	10.8
250.09845	1.0
263.20157	1.1
265.12338	4.4
265.21704	1.8
265.67764	0.8
273.18661	3.1
291.19693	100.0
292.20001	9.8
309.11295	3.2
309.17206	2.6
309.20731	53.5
310.21124	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01879	1.2
57.03450	6.5
59.01390	6.5
65.03980	0.7
69.03459	1.8
69.65741	4.9
71.01367	1.4
71.05028	32.3
76.79869	1.0
83.05047	2.1
95.05043	1.9
96.96032	1.4
97.06591	9.3
107.05045	1.6
107.08670	3.2
109.06546	0.9
111.08156	2.8
119.08693	2.4
121.10272	6.9
123.08146	2.6
125.03521	0.8
125.09717	8.2
127.11243	2.0
135.04543	1.0
135.08162	1.7
137.09740	38.5
138.10034	1.6
141.12846	1.8
153.09093	0.9
155.10768	1.7
162.48772	0.7
163.11235	1.0
168.94400	0.9
171.10286	87.2
172.10582	4.5
181.12332	1.3
183.10291	11.5
185.11852	14.7
195.13979	2.1
197.11852	6.8
205.12347	1.0
207.13867	3.1
209.15489	1.4
211.13322	1.9
219.13841	3.3
221.15466	1.1
225.14900	1.7
227.89159	0.8
233.15544	4.8
235.16928	4.2
237.14980	4.2
239.16478	1.8
247.20679	2.9
251.16542	32.3
252.13776	0.7
252.16829	3.1
265.18121	0.8
273.18570	2.5
291.19684	96.7
292.20026	8.8
309.20721	100.0
310.21057	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01373	1.1
62.94408	0.5
67.78580	0.5
69.03450	1.7
70.44419	1.8
71.05025	0.7
72.59550	0.5
80.02687	0.6
83.05020	1.1
85.02966	1.0
92.56813	0.6
96.93275	0.5
97.02962	12.5
97.06592	0.6
119.08677	1.0
122.03693	0.5
123.04509	1.7
123.08157	1.8
125.09709	1.0
137.09729	4.5
139.07597	0.8
139.11247	0.7
148.08914	0.5
151.07661	0.6
151.11275	2.3
152.08430	0.9
153.09227	1.2
167.14294	0.8
171.10284	6.9
177.12862	1.5
178.13461	0.7
179.14369	0.5
185.11819	2.0
195.13953	3.8
202.47639	0.5
203.14381	0.6
207.13655	0.5
211.13440	0.8
221.11888	3.7
239.12933	2.6
240.13426	1.0
247.20708	6.2
273.18512	1.6
291.19678	100.0
292.20013	10.5
309.20728	55.1
310.20999	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01380	2.4
69.03466	8.2
70.54235	2.1
70.54576	2.1
73.32167	1.2
83.05016	5.2
85.02951	3.5
93.33245	1.2
97.02957	56.2
97.06616	1.6
99.00874	7.4
109.06573	2.2
111.00828	1.9
111.08150	2.5
111.49891	1.2
119.08678	6.7
125.09725	4.9
135.08093	1.5
137.09724	26.4
138.10086	1.2
151.04005	20.0
151.07671	25.9
152.08437	36.1
153.09019	2.1
163.11252	1.3
171.10275	45.4
172.10588	1.6
175.07611	2.0
177.12819	1.3
183.10219	1.6
184.07405	6.1
185.11800	5.9
193.08675	2.5
195.10321	1.5
195.13914	3.2
197.11934	6.2
208.11032	4.6
209.15475	53.5
210.15819	4.6
211.13367	3.6
221.11809	4.7
239.12907	3.5
247.17055	3.0
247.20644	3.3
249.09230	1.4
252.10020	9.9
263.78171	1.4
265.18079	11.8
273.18640	7.4
291.16278	3.9
291.19638	41.7
292.19968	5.0
293.92743	1.2
309.17041	85.5
309.20697	100.0
310.17410	10.9
310.21027	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06673	1.6
57.03445	3.2
59.01385	2.8
59.19345	2.0
65.07366	1.8
69.03452	4.1
70.64391	4.7
104.15561	1.8
107.08696	3.7
119.08668	13.8
125.09722	8.0
127.11253	4.3
135.08139	4.0
137.09743	30.8
151.11375	2.3
155.10843	2.8
167.10748	4.7
171.10278	100.0
172.10606	4.8
173.80586	1.9
183.10246	6.2
185.11838	29.5
195.10204	2.9
197.11888	2.1
201.11310	8.2
213.11313	7.3
229.19469	2.1
247.20689	2.1
271.66995	2.1
273.18622	9.9
291.19662	33.1
292.20016	3.4
309.17242	3.0
309.20673	39.6
310.21112	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23767	1.4
50.71953	1.5
54.34025	1.6
57.03456	2.7
58.00607	1.7
59.01392	3.4
61.26835	1.4
69.03450	4.7
70.28773	4.6
70.29166	3.1
97.06611	2.1
107.08678	1.6
108.05805	2.2
119.08680	19.1
121.10243	2.9
125.09719	9.8
127.11291	3.3
128.27388	2.1
135.08131	1.7
137.09741	32.6
151.11263	3.0
153.09198	2.5
155.10764	4.0
167.10732	3.6
171.10283	100.0
172.10661	3.9
183.10258	7.3
185.11856	24.5
201.11327	9.1
213.11363	10.0
229.19568	2.2
273.18555	10.9
291.19696	30.6
292.20242	2.9
309.17215	3.8
309.20746	59.5
310.21179	4.7
317.69901	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.01733	0.9
57.03442	2.0
59.01366	1.1
70.28804	3.4
83.05030	1.3
83.66353	0.9
97.06583	1.4
98.19952	1.1
123.08183	2.2
125.06096	1.9
125.09746	7.4
127.11300	1.7
139.11252	2.1
141.09253	2.8
151.07607	1.5
153.09225	1.3
155.10789	1.2
165.09271	1.7
171.10303	3.8
183.13853	1.8
199.09729	6.1
200.10570	7.0
201.11282	3.9
203.24580	1.0
213.11386	1.3
247.20686	6.5
265.21658	1.5
281.21161	1.2
291.19693	16.3
292.19983	1.5
309.20737	100.0
310.21075	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36970	1.4
57.03433	2.7
69.03474	1.8
71.05026	2.2
71.13582	2.1
71.13924	2.4
80.02684	11.6
81.03463	5.2
83.05035	31.0
84.02186	12.6
95.05008	1.8
97.06581	4.6
98.03730	1.3
99.08178	9.9
109.06580	3.9
112.25782	1.4
113.09743	3.3
115.07665	4.3
123.04504	2.2
123.08186	2.6
125.09743	3.5
127.11278	5.5
137.09732	50.4
138.10065	3.1
139.11320	8.7
151.07642	1.9
151.11302	5.3
153.09209	10.1
153.12848	1.8
155.10789	57.6
156.11130	1.7
163.11267	2.1
165.12859	1.8
167.10722	2.8
169.12318	3.1
171.10295	51.0
172.10573	2.2
179.10738	1.5
193.12357	29.5
209.11803	3.9
211.13429	5.6
214.42902	1.6
247.20671	9.1
263.20291	6.7
265.21594	7.6
281.21167	2.5
291.19678	100.0
292.20065	8.0
309.20731	72.8
310.21048	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03460	6.2
58.00577	1.4
59.01372	3.7
60.72006	1.3
69.03435	1.9
70.15868	1.2
71.01381	4.0
80.02695	6.8
84.02141	2.9
95.05042	1.4
96.96026	2.2
97.06573	4.3
111.08170	2.1
123.08179	17.6
125.09721	23.5
127.11303	9.4
137.09752	15.2
139.11259	9.0
141.09193	3.1
141.12849	3.9
151.04053	1.8
151.07677	3.5
152.08434	2.8
153.09187	2.9
155.10791	49.1
156.11115	2.2
163.81023	1.2
165.12823	1.9
167.10855	8.4
168.29794	1.2
171.10283	98.7
172.10614	4.1
183.10201	2.0
183.67799	1.5
185.11835	100.0
186.12224	7.0
189.12839	1.5
197.11752	2.1
209.15491	4.7
212.10606	6.6
247.20621	5.4
263.20236	10.1
265.18536	1.3
265.21701	5.4
273.18533	2.1
281.21280	13.8
282.21463	1.9
291.19684	45.3
292.20071	4.4
309.17087	6.3
309.20642	40.6
310.21182	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	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
56.37884	1.0
57.03447	1.8
58.00610	1.7
59.01388	2.1
71.99846	0.9
80.02688	4.6
97.06569	1.8
111.08154	0.9
120.90546	0.9
123.08182	9.1
125.09737	9.5
127.11307	3.7
137.09723	8.4
139.11287	4.0
141.09201	1.2
141.12822	1.7
151.11343	1.0
155.09711	0.7
155.10789	26.9
167.10806	3.0
171.10274	48.5
172.10701	1.5
179.86194	0.9
185.11844	51.2
186.12192	2.1
209.11847	1.3
209.15359	1.3
209.87743	1.0
212.10556	2.8
236.08455	1.6
237.09126	1.4
246.06865	1.8
246.09270	2.6
247.07573	3.4
247.20746	3.2
248.08473	5.3
249.09280	24.6
251.10831	1.6
256.71628	1.0
261.09140	1.6
262.09891	2.1
263.07306	2.5
263.10794	6.4
263.20193	3.4
264.07913	9.7
264.10431	3.2
265.08737	5.1
265.21686	2.5
276.10330	9.3
277.08643	1.9
278.09024	3.7
279.10294	31.0
280.11072	20.1
281.21262	6.0
282.21976	1.2
291.09039	1.4
291.19638	17.8
292.09811	16.7
292.20102	2.4
293.10654	17.2
309.17270	2.6
309.20679	16.9
310.10864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1087
Annotation	Oliveroline N-oxide
Peak:m/z	Relative Intensity
52.47557	0.7
55.67385	0.9
59.01379	1.7
66.41311	0.7
70.09081	2.2
70.09464	1.5
98.20634	1.3
122.47031	0.8
126.10067	1.1
156.11150	0.9
171.10263	3.5
172.10669	2.5
180.33366	0.8
182.76996	0.8
185.11821	3.7
186.12166	2.8
220.08838	0.8
233.06114	1.1
234.06889	1.2
237.09138	1.9
246.07033	1.4
246.09259	3.6
247.07637	4.8
247.09811	1.1
248.08466	5.9
249.09280	25.9
250.06535	0.9
250.09407	3.0
251.11079	1.2
261.09174	2.9
262.09924	3.4
263.07166	2.6
263.10715	6.4
264.07886	10.9
264.10382	3.8
265.08646	6.1
266.09052	1.1
274.08780	1.9
275.09460	1.3
276.10266	11.3
277.08466	1.1
278.09381	2.9
279.10275	30.6
280.10999	24.9
281.11710	1.0
282.21512	1.1
291.08966	1.1
292.09799	15.9
292.19870	1.9
293.07434	1.5
293.10562	16.6
294.11093	1.5
296.03238	0.9
303.55200	0.8
310.10855	100.0
310.20911	2.3
311.05612	1.1
311.11209	9.7
311.16891	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	310.1088
Annotation	Oliveroline N-oxide
Peak:m/z	Relative Intensity
59.01373	1.5
63.62537	0.5
65.57368	0.4
75.09528	0.4
78.25050	0.5
79.95727	1.1
96.96018	3.7
112.13698	0.5
119.05061	0.6
128.40277	0.5
146.28894	0.5
163.07704	0.4
169.01840	0.6
170.00468	0.8
174.93114	0.4
183.01224	31.4
184.01981	1.2
192.74937	0.5
197.02838	1.1
209.09691	0.9
216.00990	1.1
222.06892	0.6
233.09795	1.1
234.10442	1.5
235.11169	1.1
236.08466	0.6
237.09222	2.6
237.87437	0.4
246.09236	0.9
249.09242	0.8
250.06404	0.6
251.10872	1.7
265.08716	1.3
274.08881	0.6
279.10324	6.4
280.11118	3.9
292.09805	8.6
293.10553	3.4
296.03198	1.8
310.10883	100.0
310.17780	4.3
311.11502	10.3
311.16882	68.3
325.09473	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	310.1089
Annotation	Oliveroline N-oxide
Peak:m/z	Relative Intensity
54.44121	0.6
58.66572	0.5
59.01387	1.9
69.48859	3.2
96.21754	0.5
98.19935	0.9
104.44944	0.5
104.99942	0.5
110.47005	0.5
125.09705	1.0
139.11302	1.9
145.22484	0.5
151.11339	0.5
155.10872	0.8
158.23273	0.5
171.10291	9.6
183.10268	0.9
185.11821	1.9
201.11374	2.0
209.06102	0.7
222.06857	1.4
223.07603	2.2
232.07591	0.9
236.06958	0.9
237.09103	1.7
238.06378	0.7
246.06766	1.1
246.09169	1.0
247.07549	1.6
248.07326	1.9
249.07849	1.0
250.06319	1.6
250.08791	1.5
251.11096	1.0
261.09262	1.3
262.08823	0.6
263.07059	1.0
263.09607	0.8
264.07831	1.8
264.10349	3.1
265.08643	4.1
265.11026	0.7
266.08295	1.1
272.07233	0.9
273.07950	0.9
274.08752	1.3
275.20203	1.0
277.07516	0.9
278.08261	1.5
279.07233	0.7
279.10287	13.2
280.10733	1.7
292.09775	5.1
293.10590	3.5
293.21231	3.3
296.03171	0.5
310.10880	100.0
311.11197	10.7
311.22327	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	311.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99611	24.8
59.01380	3.2
65.35542	0.9
71.01392	14.0
74.99117	4.8
80.46752	0.9
85.02949	1.9
95.45862	0.7
98.20635	2.9
101.00684	2.6
102.98608	100.0
103.98940	1.2
119.01738	58.8
119.05045	5.7
120.02078	1.2
121.02972	30.9
139.08304	0.8
161.02814	1.7
173.04469	0.8
186.06822	0.8
189.02255	4.5
191.03531	1.2
214.06335	0.9
239.10773	1.8
251.11438	1.0
265.08765	1.0
267.10510	1.8
296.03302	1.0
311.05798	4.0
311.09320	2.0
311.29483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01393	4.2
64.15907	0.4
67.01897	4.9
69.03438	1.5
69.66193	2.1
71.01393	3.6
81.03463	1.0
83.05050	1.3
85.02964	0.7
87.00858	0.5
93.03471	36.9
94.03815	1.0
99.04553	0.4
109.02956	1.4
111.00905	0.8
111.04546	4.1
113.02464	0.6
127.03990	0.6
129.02069	0.4
137.02461	24.3
138.02771	1.0
138.05591	0.7
145.08014	0.4
155.03513	4.3
173.04564	100.0
174.04887	4.1
177.05664	0.5
191.05603	0.8
206.97531	0.5
296.03323	1.3
311.08145	2.7
312.08224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01382	2.6
60.99319	0.9
67.01898	4.7
68.37232	0.4
69.03474	0.8
70.02972	0.4
70.93349	0.4
70.93663	0.7
71.01390	3.7
81.03465	1.0
82.73008	0.4
83.01398	0.4
83.05022	0.9
85.02943	0.9
93.03469	39.4
94.03799	1.0
101.02473	0.4
109.02949	0.7
111.00924	0.5
111.04521	5.0
121.76710	0.4
137.02460	26.8
138.02776	0.9
138.05649	0.7
155.03510	4.4
173.04562	100.0
174.04912	2.8
191.05499	0.5
219.99426	0.5
296.03098	0.5
311.07996	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	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03920	1.8
59.01384	23.2
68.01411	5.6
69.44830	11.6
70.02981	15.2
71.01395	2.8
72.99323	5.3
77.03951	1.8
81.91291	1.7
85.02972	4.7
89.02435	2.0
91.04041	1.8
93.03465	7.4
94.03004	10.0
96.96011	2.4
98.19923	3.3
101.02468	1.9
101.03971	2.7
103.05568	2.9
109.02966	1.8
110.06134	2.1
111.00893	2.6
112.07713	5.3
113.02468	1.9
114.70131	1.5
117.03460	12.3
119.05037	16.9
121.02993	3.7
121.06632	8.4
122.98717	1.7
131.05026	2.5
135.04575	3.4
137.02493	6.1
138.05620	24.1
145.02968	24.7
147.04543	40.1
149.02504	2.9
149.06102	24.3
161.04559	3.1
163.04080	5.8
166.02774	2.1
173.02475	27.3
173.04607	6.6
175.04010	100.0
176.04391	5.1
177.05580	2.9
178.06456	2.2
182.04659	3.3
191.03548	5.6
191.05553	2.7
193.05017	14.6
210.94301	1.6
221.04588	1.8
237.07880	4.6
241.12328	2.2
251.11490	3.4
254.74039	1.8
265.07187	79.5
266.07574	5.2
267.08786	36.1
267.13391	3.7
268.09015	2.5
293.06705	21.0
296.03421	4.7
311.07855	63.7
311.15912	2.1
311.22369	1.8
312.08148	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	311.0929
Annotation	Phaeochromycin A
Peak:m/z	Relative Intensity
59.01382	10.8
62.09936	1.1
66.20412	1.0
70.07601	1.8
70.08003	3.1
98.19981	1.4
121.02949	3.9
123.04544	1.2
130.04291	2.1
133.09645	1.1
135.04564	1.4
145.06595	1.6
146.64714	1.2
147.04578	1.8
157.06636	2.0
159.08211	9.8
160.08507	1.1
164.15201	1.2
171.04570	1.2
182.07281	1.4
186.06898	6.0
195.08081	2.4
197.09750	3.8
198.06856	1.9
206.07390	15.9
207.08122	8.7
208.08856	1.8
209.06122	3.2
210.06798	3.9
211.07729	2.5
214.06345	6.0
220.08920	2.3
221.09718	15.2
222.10446	5.8
223.07642	4.7
223.11296	8.0
224.08443	4.7
225.09225	12.6
233.06094	1.9
234.06866	27.5
235.07396	3.1
237.05589	13.5
237.09233	1.4
238.06100	1.8
238.09853	1.5
239.07260	1.5
239.10742	6.2
240.07845	1.3
241.12517	1.3
247.07585	1.7
248.08289	2.6
249.09224	80.6
250.09969	35.9
251.04810	1.5
251.07220	21.2
251.10065	2.2
252.07915	37.7
253.08261	3.5
265.08792	1.4
266.09201	1.4
267.10281	100.0
268.10483	9.1
296.03198	5.0
311.05936	4.4
311.09262	83.9
311.22177	1.5
312.06381	1.3
312.09616	7.9
318.06659	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	311.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27894	1.1
59.01387	6.1
61.75459	0.9
70.60563	3.1
98.37513	1.0
108.02179	1.8
121.02959	5.0
126.24229	1.0
130.04251	3.0
134.03783	1.9
135.04491	1.5
145.06587	1.6
147.04538	1.7
157.06529	1.3
159.08163	9.9
182.07387	1.9
183.10271	2.0
186.06836	2.6
193.06569	1.3
195.08170	1.7
196.08897	1.3
197.09691	2.3
198.06894	1.8
206.07381	17.4
207.08174	12.1
208.08932	3.1
209.06067	3.1
210.06850	4.3
211.07657	3.2
214.06345	3.8
220.08905	1.8
221.09755	13.6
222.06836	1.2
222.10382	6.5
223.07703	6.4
223.11276	8.1
224.04893	1.2
224.08412	4.8
225.09198	11.8
233.06067	2.5
234.06862	29.4
235.07364	3.3
237.05598	14.4
237.09279	1.6
238.06143	3.5
239.07245	2.7
239.10670	5.7
240.07982	2.1
240.11005	1.6
247.07707	1.7
248.08409	2.4
249.09209	79.2
250.09949	36.9
251.07164	20.6
251.09778	1.4
252.07906	42.8
253.08342	3.7
265.08990	1.6
267.10284	100.0
268.10587	10.8
296.03336	1.4
296.06805	1.2
311.09271	84.7
311.22159	8.0
312.09506	8.7
320.76282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0987
Annotation	Vicianose
Peak:m/z	Relative Intensity
55.01870	1.0
57.03455	2.1
58.00593	1.4
59.01387	68.1
69.03461	2.6
70.00593	3.2
71.01391	35.6
72.99320	2.7
73.02953	2.8
83.01398	1.7
85.02970	9.0
85.80235	0.9
87.00891	2.1
89.02457	49.0
89.09902	0.8
93.03472	1.6
94.03036	1.0
95.01377	2.5
101.02447	20.5
109.48587	0.9
113.02460	13.4
119.03522	14.8
131.03516	2.8
137.02441	2.2
143.03517	1.9
149.04546	1.9
161.04552	2.7
167.53157	0.9
173.04510	2.9
179.05638	2.1
223.04663	1.5
237.31544	0.9
248.31253	0.9
296.03055	1.0
311.09863	100.0
312.10202	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	311.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45326	1.3
57.03449	3.7
59.01385	100.0
59.24554	0.9
60.01708	1.0
64.01498	1.1
69.52339	1.0
69.74991	5.2
71.01395	5.8
83.01383	2.1
85.02965	18.9
89.02435	1.9
93.03466	18.4
98.20577	1.4
99.00896	1.4
101.02431	2.6
105.00168	1.3
111.00896	6.1
113.19399	1.1
129.01947	4.7
137.02460	48.8
138.02808	2.0
155.03537	1.1
161.04613	1.0
170.21060	1.2
173.04572	9.8
183.99286	1.9
191.05640	2.1
197.64639	1.1
205.03511	4.0
217.06888	1.2
223.04654	7.7
226.00301	2.1
251.11339	4.2
296.03299	1.8
311.08859	3.9
311.12460	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	311.2019
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.23126	0.2
52.86758	0.3
58.29745	0.2
59.01381	1.4
71.30533	0.4
71.30875	0.3
74.40898	0.2
79.95722	0.3
96.96048	0.3
98.95618	1.3
98.96447	0.4
99.66611	0.2
119.34602	0.2
130.01456	0.2
133.06598	3.0
149.09731	100.0
150.10068	5.4
171.10242	0.3
178.81581	0.3
182.99777	0.3
183.01219	8.4
184.01979	1.5
197.02765	0.6
216.00983	1.1
267.23282	0.6
296.03259	1.0
311.16891	18.3
311.20239	55.2
312.17178	2.2
312.20575	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11804	1.0
57.03440	3.9
59.01379	2.0
59.05488	1.1
69.03466	1.2
71.16702	1.3
71.17030	1.4
83.05054	1.0
97.02937	1.4
97.06574	1.3
99.08111	1.0
113.09728	7.3
121.10243	2.6
125.09727	1.7
127.11345	1.6
137.09703	2.0
139.11299	27.4
140.11581	0.9
155.10831	2.1
157.52838	1.0
167.10777	1.8
167.14493	1.0
171.10284	44.0
172.10616	1.7
185.11879	2.3
193.12454	1.3
195.13936	1.3
201.11444	1.3
211.13420	4.4
249.22253	1.2
275.20206	2.2
293.21262	38.4
294.21701	5.1
311.22296	100.0
312.08862	1.9
312.22610	11.3
317.29105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.05759	0.7
57.03454	0.9
57.60054	0.7
58.00601	6.3
59.01375	1.9
69.80850	1.9
69.81258	2.1
71.01341	0.7
73.02939	1.0
91.71133	0.8
109.06566	1.1
121.10215	0.8
125.09756	3.5
127.07640	3.8
127.11312	6.7
137.09712	1.3
139.11319	1.0
155.10782	2.1
157.12457	0.7
165.09221	1.8
171.10257	6.1
172.18129	0.7
183.10374	0.8
183.13910	14.5
184.14265	0.9
195.13869	1.7
199.09752	2.0
201.11339	44.7
202.11691	2.3
211.13261	0.9
213.14996	3.6
223.13417	1.4
225.85947	0.7
241.14490	4.2
275.20129	4.8
293.21307	7.4
311.22293	100.0
312.19370	1.3
312.22641	11.2
313.96918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39845	0.6
59.01350	0.7
63.24724	0.6
69.23751	2.2
69.24174	3.7
71.05013	0.7
94.65745	0.6
109.40436	0.7
125.09733	1.0
125.57402	0.6
139.11255	1.6
154.09988	1.7
167.14342	0.9
171.10291	2.0
177.12869	3.0
188.00342	0.7
188.51553	0.6
195.13924	3.8
211.13315	0.8
249.22298	3.2
275.20392	0.8
293.21255	81.3
294.21616	9.2
311.22308	100.0
312.22632	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.60022	0.9
64.92045	0.9
69.51266	0.9
69.51612	6.1
70.85079	0.8
80.58350	0.8
92.19039	0.7
97.06522	0.9
100.27411	0.9
113.52881	0.9
118.73644	0.8
121.10201	2.3
125.09757	4.6
127.11295	5.8
137.09726	2.3
139.11298	19.2
140.11583	0.9
151.11360	0.9
153.09073	1.0
155.10770	4.2
155.66896	0.8
167.10739	1.2
171.10283	88.7
172.10614	4.0
178.90030	0.9
183.10275	8.1
185.11847	20.3
186.12126	1.3
201.11342	17.0
213.11147	1.0
240.51575	0.8
275.20142	8.8
292.99490	0.9
293.17990	1.4
293.21283	26.2
294.21692	2.2
311.22299	100.0
312.22626	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	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03444	2.0
59.01361	1.3
64.55564	0.7
70.99231	1.7
70.99575	1.0
79.81066	0.7
96.51093	0.8
114.12099	0.8
121.10230	2.7
125.09721	3.7
127.11290	5.7
129.09244	1.2
139.11307	12.2
140.11685	0.9
147.79878	0.7
153.09167	1.0
155.10780	3.3
165.09251	1.2
167.10707	1.5
171.10292	66.3
172.10614	3.1
181.12379	0.8
183.10284	5.5
185.11832	11.7
186.12273	1.2
197.11813	2.2
201.11348	11.6
211.13397	3.6
222.20219	0.8
232.76544	0.9
255.49921	0.8
260.98907	0.7
275.20319	5.3
293.21240	17.2
293.90808	0.8
294.21658	1.5
311.22318	100.0
312.08905	4.2
312.22653	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.71440	0.6
57.03428	0.6
59.01389	1.1
69.19457	4.6
69.19881	1.7
74.92020	0.6
87.69772	0.5
101.09613	0.6
105.86909	0.6
123.08177	0.9
125.06136	0.7
125.09733	4.6
139.11327	1.4
141.09250	3.1
141.12843	0.9
153.09196	1.3
155.14481	1.3
157.12378	1.6
171.10254	2.3
183.13890	0.7
199.09697	1.1
200.10484	3.2
235.80017	0.6
239.23668	0.7
249.22235	2.1
265.21713	1.0
267.23386	1.0
268.33743	0.6
275.20129	1.4
293.21259	8.5
301.57150	0.6
311.22311	100.0
312.22659	12.4
312.26099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0882
Annotation	Melicopine
Peak:m/z	Relative Intensity
50.50228	1.4
57.15844	1.2
59.01382	3.6
61.48758	1.3
61.70168	1.1
98.19865	3.0
121.02952	3.6
141.78920	1.5
144.83342	1.2
170.53085	1.3
184.14082	1.4
193.06706	1.8
204.05844	1.5
211.03893	1.3
220.05438	1.3
221.06108	1.4
248.04837	1.7
248.07051	2.7
249.05653	2.7
251.07076	4.5
253.08974	2.4
255.02963	1.8
262.77454	1.4
263.07104	14.5
264.07758	2.9
265.08560	3.7
266.05905	1.8
267.06451	1.4
268.19879	2.3
276.06851	1.5
278.08395	1.6
281.08340	7.7
282.08875	4.0
283.02475	4.4
283.46320	1.3
294.07770	6.3
294.21460	1.7
295.08447	6.2
298.04962	4.9
312.08795	100.0
312.22552	8.1
313.09555	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	313.0357
Annotation	ophioglonin
Peak:m/z	Relative Intensity
56.80880	0.4
57.03454	3.3
57.64029	0.5
59.01374	1.0
60.19220	0.4
61.37078	0.4
63.02407	1.3
64.64730	0.4
65.00337	6.4
69.11237	0.4
69.71793	2.4
79.67962	0.4
81.03477	2.3
83.01393	15.0
93.03444	0.8
107.01398	7.6
108.02232	0.5
109.02931	0.6
112.97791	0.5
121.02982	0.7
125.02460	39.5
126.02821	1.4
131.01422	3.2
133.02971	3.0
135.04500	0.7
136.37363	0.4
149.02455	0.5
151.00381	15.8
151.01599	0.9
152.00690	0.6
159.00897	11.9
160.01613	1.8
161.02458	54.7
162.02728	2.4
171.10278	1.4
175.04021	1.6
183.04610	0.9
187.00407	6.2
191.05611	0.8
197.06068	0.5
199.04054	1.0
202.99883	1.2
203.03551	1.0
205.03291	1.0
207.08231	0.8
217.05211	0.9
223.07646	0.7
225.09319	0.6
227.03529	1.3
233.02849	1.3
237.09270	0.9
239.03465	0.6
241.05031	0.9
243.03008	1.4
251.10751	0.8
252.07666	0.5
253.09161	3.1
254.09554	0.7
255.03003	4.3
265.08862	0.6
268.03876	0.7
269.04608	3.2
269.08234	0.9
270.05319	0.6
283.02390	3.2
285.04172	1.7
295.02518	1.1
295.09854	1.4
297.04071	3.9
298.04849	5.5
313.03604	100.0
313.07150	11.1
313.11041	5.0
314.03937	7.7
314.07367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
57.03454	13.8
59.01390	9.3
63.50802	0.7
65.81544	0.7
70.53376	0.8
70.55602	0.6
71.01389	6.1
72.99310	2.1
73.02945	1.3
75.00868	1.0
83.01407	1.8
84.02174	2.7
85.02959	100.0
86.03308	2.0
87.00864	1.8
89.02466	1.9
101.02431	2.4
101.17108	0.7
103.00382	1.1
111.00893	2.0
113.99300	0.7
121.02970	7.6
128.03542	2.0
129.01959	6.8
147.03009	11.2
151.06133	1.4
156.89491	7.1
161.04579	1.1
184.00311	0.8
191.01994	11.7
199.10919	2.1
226.12761	0.8
232.24774	0.8
239.05867	0.8
262.56641	0.7
269.15207	1.6
313.11014	0.8
322.48798	0.8
339.12866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
58.28222	0.3
60.28532	0.3
61.18796	0.3
64.09750	0.4
64.71819	0.3
65.00321	2.0
70.36028	0.7
70.36421	0.7
83.68606	0.3
89.00356	0.5
89.13107	0.3
91.01909	1.9
97.02958	2.4
106.98235	0.4
108.02185	1.1
109.02975	1.4
121.02945	1.1
122.00109	0.4
132.02208	2.1
133.02975	12.7
134.03371	0.4
135.00902	5.2
137.02441	0.5
143.81355	0.3
149.99567	0.6
151.00298	0.4
153.01945	0.7
159.04469	0.4
161.02490	0.7
165.01939	5.0
176.01251	0.5
183.04517	1.3
187.04036	0.5
197.06035	0.4
199.04030	0.8
201.05626	2.6
202.06114	0.4
211.04021	10.0
212.04477	0.7
213.05608	1.3
224.04758	1.4
225.05589	3.9
226.02745	0.6
226.06277	1.8
227.03549	6.5
239.03491	1.1
240.04324	1.6
241.05049	2.9
251.03395	0.5
253.05019	0.6
255.03011	18.1
256.03491	1.7
267.02921	0.5
268.03818	8.9
269.04565	30.5
270.05267	11.7
271.05707	1.0
281.04572	0.7
283.02481	4.6
297.04117	3.5
298.04843	62.1
299.05212	5.5
313.07196	100.0
314.07541	10.1
320.18411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.07772	0.4
59.01381	0.8
60.65104	0.5
63.02412	1.0
65.00349	0.5
69.06110	0.4
69.46943	0.5
70.02361	1.7
72.99321	3.7
93.03481	0.5
98.77420	0.4
107.01369	0.9
117.03484	0.5
121.02984	1.3
129.63808	0.5
134.21408	0.5
151.00354	1.0
161.02367	0.7
197.05977	0.6
197.09654	0.5
211.03995	1.4
223.60411	0.5
225.05579	0.8
225.12857	1.9
227.03517	0.7
239.03471	0.8
239.10774	1.5
240.04201	0.7
241.12349	0.7
255.03003	52.7
256.03357	3.6
258.38724	0.6
267.02963	0.7
268.03693	3.0
269.01584	0.8
269.04572	26.0
270.04950	2.0
281.04602	2.0
283.02499	36.3
284.02853	3.6
295.02405	1.3
295.09763	0.7
297.04053	49.1
298.04810	46.1
298.08325	0.6
299.05261	3.3
313.07196	100.0
314.07520	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	313.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.08250	1.5
55.63836	1.8
56.91087	1.4
57.03452	12.0
59.01387	11.2
69.67879	9.6
71.01383	19.8
72.99306	3.3
73.02946	5.7
73.29027	1.5
75.00855	2.9
83.01384	2.8
84.02177	3.4
85.02956	100.0
85.06580	1.9
85.98725	1.3
86.03272	1.7
87.00888	4.3
89.02436	3.1
90.16426	1.5
93.03482	2.1
96.96017	2.7
99.00866	4.1
101.02446	11.4
103.00343	1.7
106.04240	4.5
107.05044	36.2
108.02167	1.6
108.05408	1.9
111.00924	3.5
113.02451	5.6
113.06068	5.8
120.99648	1.5
121.02966	7.4
122.02461	3.1
125.06068	2.5
128.03535	3.6
129.01920	9.3
131.05347	2.4
138.03273	2.8
141.05635	8.8
141.06544	1.4
147.03020	15.6
151.04016	41.8
152.04350	2.0
153.05571	4.4
154.89072	1.4
159.04819	4.1
161.04547	5.6
173.00940	2.4
183.96881	1.8
187.04341	4.3
191.01952	15.0
199.10880	7.0
231.03357	15.1
251.09291	1.8
255.02914	1.7
256.08136	2.6
277.00601	3.1
283.02704	2.1
298.04877	3.6
313.17737	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	313.12
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
55.98732	0.5
56.63538	0.4
59.01382	1.3
70.38699	0.6
70.51131	0.9
70.51470	1.2
71.01373	0.6
73.89111	0.5
82.14082	0.5
85.02965	1.0
87.00876	1.0
92.05070	1.1
93.03474	2.4
94.06653	2.8
96.95944	0.5
104.05074	5.0
106.06609	0.9
107.03773	7.7
120.04553	1.1
121.05336	0.9
122.06137	47.3
123.06450	1.6
124.07652	0.7
134.06140	1.8
135.04570	0.7
137.02441	0.6
139.02760	2.2
144.33769	0.6
148.04063	65.5
149.04405	2.4
152.07193	69.1
152.78624	0.5
153.07509	3.1
160.04060	17.3
161.04738	1.1
162.05667	0.7
166.05110	0.5
175.96902	0.5
191.05623	1.8
191.30040	0.6
200.21939	0.5
204.23065	0.7
211.07759	0.6
215.13268	0.5
221.69817	0.5
253.05235	1.2
255.02968	0.9
255.11549	4.1
267.11142	0.6
269.04626	0.8
277.08792	0.5
283.09924	0.6
285.12469	10.7
291.11115	2.0
295.10126	0.7
298.04852	1.5
313.11963	100.0
314.12268	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	313.1298
Annotation	Juniperoside II
Peak:m/z	Relative Intensity
52.37336	3.4
54.58612	3.3
55.01883	6.4
57.03443	8.5
59.01382	97.4
63.30607	3.7
69.03451	6.3
69.37491	32.9
71.01392	71.1
71.05015	8.2
72.99307	9.9
73.02945	19.8
75.00861	7.2
76.09689	3.5
76.18330	3.9
81.03465	11.9
81.11186	4.4
83.01381	13.2
83.05025	10.8
85.02953	47.5
87.04531	24.2
88.04052	6.4
88.39270	3.9
89.02452	51.6
91.05545	6.6
93.03472	10.8
95.01424	8.9
95.05045	22.9
96.96016	10.0
97.02962	25.4
97.06575	22.9
98.02477	7.5
98.19846	8.4
99.04520	10.8
100.69734	4.1
101.02452	32.2
107.05047	52.1
108.02170	16.1
109.02985	22.0
109.06587	15.1
110.06093	8.5
111.04541	25.0
113.02448	14.5
114.05592	14.9
119.03516	19.2
119.05006	7.4
121.02959	11.5
121.06618	7.1
122.03802	3.8
123.04536	82.1
123.08157	13.2
124.01682	5.4
125.02477	18.8
125.06128	19.0
127.03983	5.3
133.06602	8.1
135.04549	41.4
137.02409	10.8
137.06107	26.0
138.03218	11.7
139.03989	12.1
140.04832	26.3
141.05591	8.9
143.07126	5.8
146.22838	3.7
149.06114	19.2
150.09203	4.9
151.04010	67.4
151.07596	10.5
153.05537	11.0
157.05103	9.2
159.06660	15.1
161.04584	5.1
163.04001	20.9
163.07671	21.0
163.80727	4.4
165.05528	11.3
167.07133	17.6
168.10301	23.2
169.09978	7.0
171.06697	6.1
174.03232	4.2
176.04103	4.9
177.05559	10.7
177.09122	6.0
179.07124	10.2
181.05032	4.9
181.08730	4.7
185.31187	3.9
186.11366	50.0
189.05579	5.4
191.07010	4.0
193.08646	4.2
197.08203	10.9
206.06154	4.8
207.06670	35.5
209.08224	12.0
211.09775	33.6
219.06592	6.1
221.08189	4.1
223.09715	16.4
225.07666	30.3
225.11247	6.7
237.07666	6.0
239.06915	6.9
239.09262	86.2
239.80699	4.6
240.09799	4.7
242.99043	3.9
250.10782	8.4
251.09299	19.1
252.12416	11.7
253.10834	6.3
255.12367	88.7
256.12762	8.3
265.10873	18.3
267.12289	11.8
269.10379	49.5
270.10886	7.1
270.13492	34.4
285.13303	5.5
295.11905	58.9
298.04761	16.2
313.07089	5.2
313.12964	100.0
314.12555	79.8
314.20584	4.2
320.11353	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	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94083	0.4
54.89877	0.4
55.27145	0.4
58.00598	2.8
59.01387	0.8
67.44422	0.3
84.98479	0.4
92.75486	0.4
97.06590	1.5
99.08169	21.1
100.08509	0.6
101.09756	0.4
101.74799	0.4
107.18272	0.4
111.08167	0.7
118.34006	0.4
123.99170	0.4
127.07690	3.2
129.09242	21.8
130.09557	0.9
149.23903	0.3
183.13927	42.6
184.14278	2.9
195.13951	4.0
213.15004	0.4
277.21756	3.7
295.22842	9.2
296.23178	0.9
298.04843	0.6
311.22171	0.7
313.23874	100.0
314.24237	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	313.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.0
59.01391	0.7
63.52400	0.5
70.20779	0.5
70.76295	1.4
81.31766	0.4
83.05060	0.5
84.02186	0.5
97.06598	0.6
99.08196	1.0
125.09723	4.3
127.11302	7.1
130.01811	0.6
137.09715	1.3
139.11273	1.2
144.89131	0.4
155.10771	2.3
165.09229	2.2
171.10260	6.3
183.10196	1.0
199.09779	1.9
201.11334	36.4
202.11673	1.6
242.43005	0.4
255.02882	0.5
277.21765	3.5
278.35535	0.5
293.21426	0.8
295.22818	5.1
298.04846	1.1
311.22241	0.9
313.23865	100.0
314.24213	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	314.1036
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
52.86201	0.3
59.01376	0.5
66.16903	0.4
84.22799	0.3
107.01440	0.8
195.08176	1.1
197.09843	0.5
206.06131	0.7
207.06839	0.5
209.06017	0.5
211.07642	1.1
223.07684	1.9
224.04916	0.3
224.08403	0.9
225.09142	0.4
226.06319	0.4
234.05522	0.3
236.04935	0.7
236.07198	1.1
239.07126	3.4
240.07973	1.6
241.08734	1.8
247.94527	0.3
250.08720	1.3
251.07265	4.5
252.08104	1.8
252.10356	0.4
253.08707	0.6
264.06613	1.8
265.08667	1.2
267.10272	0.4
269.08194	4.1
278.08124	0.9
280.09915	0.4
281.06906	0.4
283.09808	4.6
284.10513	2.4
296.09360	1.2
297.10150	2.5
314.10361	100.0
314.98181	0.4
315.10742	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	315.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72751	1.0
54.11008	1.2
59.01389	3.3
70.58089	1.1
70.70826	3.1
73.98325	3.7
74.99106	100.0
96.95995	1.6
114.77245	1.0
118.98088	3.0
119.64936	1.0
120.99671	8.8
130.08780	1.4
134.03757	2.0
136.99159	60.6
140.15511	0.9
143.11902	1.3
149.06091	1.7
209.06302	1.2
227.07329	1.4
250.91951	1.1
315.01688	1.2
315.12289	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	315.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67174	0.6
54.93748	0.7
59.01382	1.4
71.01379	0.9
74.99069	0.8
95.54005	0.7
103.71368	0.6
109.02972	2.4
113.60336	0.7
120.99675	100.0
122.00016	1.5
130.08765	1.7
134.03769	24.6
135.04120	1.1
143.11896	1.7
149.06113	19.3
153.01936	2.3
153.05542	0.7
166.01512	0.9
169.09846	0.7
178.02733	1.1
185.16431	0.7
193.05115	5.7
227.03912	0.9
253.11816	0.9
297.11337	0.7
315.04990	1.3
315.11899	1.6
316.18454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.90149	0.7
68.86459	0.8
71.01383	2.4
71.19303	1.4
71.19633	1.0
76.60723	0.8
81.03459	0.9
85.02955	2.6
93.03451	1.5
95.01403	1.4
101.02411	0.9
108.02187	89.6
109.02975	66.0
109.03569	0.7
109.04074	1.3
110.03314	1.9
111.93175	0.9
113.02462	0.8
118.98089	1.2
123.00926	2.3
123.04481	0.9
128.03545	1.4
151.04054	1.9
152.01172	61.7
153.01956	59.3
153.02969	0.9
154.02252	1.9
163.04030	1.7
165.02010	1.1
185.98100	0.9
195.11330	0.9
199.10735	1.3
207.00708	0.7
246.59384	0.9
298.13290	0.9
315.07248	100.0
316.07574	7.8
316.15094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.92886	0.6
57.03462	0.7
69.86452	2.9
71.01400	3.1
81.03492	0.7
85.02947	2.0
86.82587	0.6
93.03476	1.1
95.01392	0.9
98.20572	0.9
101.02484	1.0
107.01434	0.7
108.02188	100.0
109.02985	37.7
110.03319	1.4
113.02438	1.0
118.98096	1.4
121.02911	1.1
123.00864	1.4
123.04527	0.8
151.04047	2.6
152.01172	66.8
153.01962	34.6
154.02335	0.9
163.04085	1.3
165.02008	2.4
315.07254	73.0
316.07617	4.9
325.02939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10596	6.9
56.28061	7.5
57.89317	6.1
59.01387	29.9
69.99654	22.3
70.00031	14.5
71.01390	13.3
73.85669	6.7
74.99108	18.6
75.00887	7.6
85.02970	14.3
85.07501	5.9
86.99155	6.4
107.81575	6.6
109.02998	18.7
120.99671	100.0
134.03745	31.0
136.99152	11.0
149.06114	15.1
153.01898	14.3
153.77843	6.0
167.53053	6.5
173.04591	8.5
207.07802	8.9
254.85727	13.0
300.02759	9.4
315.05173	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	315.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53690	0.4
57.03438	0.8
59.01387	2.5
61.98956	0.4
69.03458	3.7
69.27171	1.6
69.27593	2.1
71.01398	1.1
71.05013	2.4
74.02462	0.5
76.20338	0.4
83.05013	0.5
87.00873	0.5
89.02451	0.9
89.61172	0.5
90.40224	0.5
91.04030	1.4
93.37737	0.4
97.06587	0.9
99.00839	0.4
119.35462	0.4
123.08179	1.0
125.09724	1.8
149.09761	0.4
151.11305	2.6
153.12880	2.4
161.09711	2.9
179.10783	13.8
180.11200	0.7
197.11839	100.0
198.12151	6.1
211.07545	0.6
223.09790	2.1
241.10835	17.7
242.11089	1.2
271.10135	1.0
315.08701	1.1
315.14529	38.9
316.14932	2.9
316.21335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.6
56.15816	0.8
57.03454	5.9
58.00597	1.7
58.73813	0.7
59.01387	41.9
60.47552	0.8
61.39668	0.9
69.03461	1.3
69.25621	0.9
69.26205	2.3
69.26631	5.4
71.01390	100.0
72.01728	1.3
72.99320	1.5
73.02557	1.5
73.02953	26.3
75.00879	2.0
83.01398	12.0
85.02957	46.7
86.03297	1.3
87.00872	3.2
89.02450	15.3
95.01395	7.6
97.02950	1.5
98.54755	0.8
99.00896	16.3
101.02451	52.0
113.02460	36.2
119.03513	4.4
125.02395	1.0
129.01886	1.0
143.03531	2.3
159.02989	7.4
161.04585	20.7
267.59821	0.9
315.18149	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47782	1.8
59.01372	3.3
71.53625	2.6
78.22381	2.7
79.05536	2.6
83.05041	2.5
90.72536	1.9
93.03489	2.4
116.41787	1.9
119.08655	10.1
131.08669	4.1
131.94579	1.9
137.09717	3.9
183.85719	1.8
201.01978	4.1
217.00378	2.3
253.19641	3.2
271.20685	9.4
287.12976	10.9
300.02832	4.1
315.04980	3.6
315.12265	7.9
315.19589	100.0
315.25461	5.1
316.19928	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	315.2544
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
52.84776	0.2
54.65897	0.3
57.03455	0.3
58.00598	0.6
59.01391	0.5
69.19212	2.5
79.44115	0.3
80.61911	0.2
83.05042	0.3
125.09724	0.8
127.11304	3.7
128.11662	0.3
134.75226	0.3
139.11256	0.6
141.12878	5.4
143.10773	1.2
148.28412	0.3
151.00288	0.3
155.10768	1.0
157.12306	0.6
169.12415	0.5
171.10310	2.8
171.13924	1.9
171.15254	0.4
201.11299	1.6
239.23912	0.4
251.23985	0.3
267.23410	0.3
279.23300	1.9
295.23071	0.6
297.24399	10.3
298.24777	1.1
299.37802	0.3
300.02670	0.6
311.22266	0.3
313.23947	5.1
313.27515	0.3
314.24265	0.7
315.05118	0.7
315.25415	100.0
316.20148	0.4
316.25751	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	316.0829
Annotation	6'-Hydroxy-3'-ketostauranthine
Peak:m/z	Relative Intensity
50.37163	1.0
52.01049	0.9
59.01380	1.0
59.73192	1.0
67.01880	1.7
68.75500	1.0
68.99838	1.1
69.51041	6.7
70.63435	1.1
73.33997	1.0
83.01401	2.3
89.00308	1.2
89.38207	1.0
92.05067	13.4
93.03466	2.8
95.01389	4.6
98.19881	1.2
106.00623	1.6
111.00932	5.6
118.03002	14.5
121.02982	12.9
123.00903	27.7
124.01192	1.4
127.00391	5.1
130.88930	1.0
133.03012	1.2
134.03758	1.1
135.04538	2.5
136.01740	1.5
136.02997	2.1
136.04056	42.0
136.98810	4.0
137.02475	5.6
137.04382	1.4
138.03241	8.0
139.00391	7.1
141.01936	1.8
142.06607	2.4
153.02017	1.2
153.05605	16.9
154.02719	2.2
158.06134	1.7
161.02429	1.5
162.01990	71.6
163.02316	3.9
168.04550	4.0
169.28580	1.1
170.06136	15.2
171.04549	1.8
173.04567	1.3
179.03537	2.9
186.05646	3.5
196.04036	2.7
197.04610	5.2
198.05609	7.2
199.04065	6.3
213.04205	2.5
214.05029	4.8
224.03593	1.8
225.04187	1.4
226.05176	1.2
228.06718	2.9
241.03822	68.7
242.04581	64.6
243.04916	4.4
247.06158	1.3
256.06165	90.3
257.06918	49.9
257.98795	1.2
258.07248	4.0
263.11664	1.2
267.02396	1.2
272.09290	63.9
273.09586	5.6
301.05905	2.4
303.82993	1.1
316.08282	100.0
317.08585	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	317.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02403	5.7
64.02756	0.1
65.00332	23.2
66.00680	0.4
69.21513	1.1
69.21918	0.3
72.58601	0.1
81.03484	0.3
83.01395	10.0
84.01715	0.2
93.03478	0.4
96.96000	0.3
98.20676	0.3
99.04535	0.2
105.03477	0.4
107.01402	25.9
108.01731	0.8
108.99332	0.3
109.01193	0.5
109.02973	0.2
117.12345	0.1
121.03014	0.2
125.02442	0.5
132.02188	0.2
133.02983	0.3
135.04570	0.2
136.01712	0.1
137.00685	1.0
137.02399	0.3
143.05019	0.3
145.02977	0.2
145.06664	0.1
147.04497	0.4
149.02454	0.9
151.00383	47.9
152.00729	1.8
153.01923	0.2
153.74559	0.1
161.02486	0.2
161.06071	0.2
163.99400	1.0
165.00169	33.9
166.00488	1.5
167.04951	0.2
169.01395	0.7
171.04468	0.4
173.04634	0.2
173.06033	0.2
174.03220	0.1
183.04503	0.4
185.06042	0.4
187.04008	0.3
189.00089	0.2
189.05608	0.2
201.05486	0.1
208.99141	0.4
209.11737	0.2
211.04001	0.5
213.05562	0.3
215.03520	0.4
227.03516	0.6
229.05075	0.4
231.01189	0.2
239.03554	0.3
240.04332	0.2
255.03014	7.7
256.03751	3.4
257.04572	7.9
258.04926	0.8
266.02414	0.2
273.02377	0.2
283.02499	4.1
284.03244	6.2
285.03922	1.5
285.08759	0.2
299.00146	0.3
317.01251	100.0
318.01581	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	317.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30871	0.4
59.01377	2.3
69.99572	2.4
71.01387	1.3
89.02443	1.1
91.04022	2.0
93.03480	1.6
96.96014	2.1
113.02456	0.5
117.03484	10.1
118.04269	0.5
119.05042	51.9
120.05373	1.8
121.02956	1.5
123.04552	0.5
124.01691	0.5
128.09151	0.4
133.02916	1.2
135.04532	1.0
137.02490	0.8
145.02968	77.7
146.03302	4.1
147.04535	0.6
161.02448	2.6
162.03241	0.6
163.04030	21.2
164.04375	1.0
170.99724	2.0
173.04567	1.8
176.04063	0.6
179.03513	0.9
236.05080	0.8
237.07698	100.0
238.08049	6.8
317.03369	41.9
317.14359	1.2
318.03690	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	317.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49745	0.5
57.51442	0.5
59.01382	2.8
68.59315	0.5
70.03754	0.6
70.83733	1.4
71.01395	0.8
80.40553	0.5
85.02943	0.6
89.02460	1.6
91.04019	1.7
92.15835	0.6
95.17699	0.5
96.96024	1.1
117.03477	12.4
117.93536	0.6
119.05038	67.4
120.05389	3.4
121.02994	1.8
137.02434	1.1
145.02968	99.6
146.03317	4.5
161.02562	1.2
161.62144	0.6
162.03256	0.8
163.04021	24.3
164.04416	1.0
170.99718	3.6
237.07700	100.0
238.08005	5.2
317.03378	55.3
317.14346	1.6
318.03607	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	317.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72971	23.3
61.98828	45.3
68.50359	24.0
69.45717	100.0
69.46124	56.9
98.19938	55.6
122.42892	22.2
231.93317	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01454	1.6
57.03448	3.0
59.01373	6.9
62.54313	1.5
70.69912	4.0
71.01394	8.1
71.05037	5.7
74.83106	1.5
83.05030	2.5
89.02464	2.6
91.04036	2.7
96.96035	2.4
97.02973	6.2
97.06598	3.4
99.00888	36.7
101.02426	2.7
109.06546	1.6
110.03738	2.0
113.02505	1.8
118.09355	1.6
123.08212	2.5
125.09727	14.1
153.12836	2.1
163.11314	22.4
173.04590	2.4
181.12352	55.4
182.12683	2.8
191.05600	2.3
197.11838	3.2
199.13403	39.6
199.15131	2.9
200.13800	2.5
207.10274	51.3
208.10643	5.2
209.11838	22.0
225.11340	100.0
226.11783	6.5
227.12888	8.7
242.17979	1.5
243.12389	99.6
244.12711	7.0
255.11311	2.3
257.14087	2.7
273.12546	4.3
317.16116	76.8
318.16391	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	317.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42485	1.5
55.52251	1.6
57.03453	2.3
59.01400	8.6
69.37056	8.4
69.37476	4.7
71.01389	14.1
71.05022	4.5
72.23752	1.9
81.03452	1.7
83.01398	2.7
83.04993	2.4
89.02469	2.4
91.03997	1.8
92.49218	1.5
93.03471	4.4
95.05013	1.7
96.96024	2.8
97.02967	6.3
97.06597	5.5
99.00883	32.0
101.02441	1.7
108.04592	2.1
108.63431	1.5
109.02965	3.1
109.06592	3.4
118.58101	1.4
121.03024	1.5
125.09740	13.3
142.02740	2.5
151.00378	1.9
155.14403	2.8
161.02435	1.8
163.11317	16.8
165.12820	1.8
168.70815	1.5
171.10297	1.9
173.04594	2.3
178.08615	1.6
179.03432	1.9
181.12355	53.4
182.12781	2.7
191.05663	2.6
199.13434	42.9
200.13791	2.4
202.93280	1.7
207.10298	51.9
208.10472	3.9
209.11868	36.0
210.12274	2.9
216.06372	1.8
225.11348	96.9
226.11681	8.3
227.12904	14.0
240.09000	1.9
243.12395	100.0
244.12767	6.9
255.11465	8.7
257.14069	4.4
273.12488	17.1
294.62250	1.7
317.06744	1.8
317.10590	4.3
317.16113	70.0
318.16400	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01881	1.8
57.03450	3.1
58.00591	2.2
59.01384	50.5
70.84170	2.0
71.01387	36.9
71.90296	0.8
72.99324	2.1
73.02954	7.0
83.01404	4.9
84.02171	1.5
85.02963	14.8
87.00904	2.4
89.02453	19.6
95.01387	2.6
99.00891	2.2
100.38359	0.9
101.02449	23.2
111.08172	22.2
111.47686	1.1
112.04081	1.9
113.02457	14.4
113.09724	2.0
117.48135	1.1
119.03512	7.6
122.06142	1.0
124.04108	2.0
136.07710	4.7
138.05629	9.2
139.07671	6.1
141.09200	1.3
153.09210	1.3
157.08716	73.4
158.09021	2.5
161.04567	4.0
184.06134	2.3
199.09755	1.6
242.60571	0.8
257.13031	1.5
319.14005	100.0
320.14389	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	319.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20922	0.7
55.01860	0.7
59.01386	100.0
59.27031	0.7
60.01720	0.7
69.68728	3.9
71.01395	3.4
72.99317	3.6
73.02951	1.0
78.06898	0.7
81.03480	2.6
83.01405	0.7
85.02965	3.1
89.02477	0.9
96.96033	1.7
97.03000	0.8
98.19873	0.9
99.00896	2.9
101.02453	2.3
113.02460	1.4
115.07682	2.0
119.05056	1.0
125.02471	9.9
129.01971	2.2
143.03558	2.4
143.59737	0.7
145.03027	1.9
146.08299	1.0
146.15854	0.7
154.25623	0.7
161.04593	1.5
173.04590	1.7
190.80270	0.8
205.03561	11.4
223.04614	4.5
241.05034	0.8
247.04073	1.8
277.12677	1.0
319.02368	1.3
319.13159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
52.13807	1.4
55.01872	3.9
57.03453	6.6
57.04591	1.3
58.00593	3.8
58.61116	1.3
59.01387	100.0
63.89946	1.3
70.29135	5.9
71.01388	59.0
71.01788	3.3
72.99305	5.7
73.02959	1.8
73.53224	1.4
83.01379	7.2
85.02963	35.9
87.00872	2.9
89.02454	50.3
95.01392	4.0
96.96040	2.5
101.02455	39.5
111.00886	7.8
113.02467	19.4
119.03510	26.1
119.05010	2.8
125.02427	3.8
129.01964	9.7
131.03523	2.2
136.04198	1.7
136.07700	2.7
137.02451	2.2
138.05602	1.4
139.07681	16.6
143.03543	1.6
145.02951	5.0
149.02469	1.7
149.04626	2.6
157.08719	6.5
161.04578	2.2
168.06700	2.8
172.10960	1.9
181.01620	1.4
191.05525	1.4
205.03528	5.8
223.04620	9.1
237.07767	3.5
247.03928	2.2
257.13022	3.4
319.02682	3.0
319.13992	92.4
320.14355	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	319.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45488	0.7
55.15411	0.7
58.02983	8.3
59.01351	1.1
70.71077	0.8
70.71421	1.8
72.00924	5.8
79.19620	0.7
79.60593	0.7
82.06633	2.9
91.05542	11.7
95.74247	0.8
102.98115	0.7
112.07685	2.8
118.06622	3.1
126.09299	0.9
129.10358	73.9
130.10666	1.6
135.04541	1.2
147.04538	28.8
148.04854	1.9
153.10338	3.9
154.08743	10.3
155.11903	0.9
164.07185	67.2
165.07530	3.3
165.19244	0.7
171.11406	53.9
172.11719	2.7
220.85321	0.8
233.16606	37.8
234.16881	3.5
275.17599	5.9
277.15625	2.9
319.16650	100.0
320.16940	11.5
337.04730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.3
57.03453	20.2
59.01379	3.0
69.50409	6.8
69.50805	1.5
71.01383	3.9
73.02945	1.9
81.23834	1.3
83.01399	13.2
84.02157	2.1
85.02959	100.0
86.03282	1.4
98.20685	1.1
101.02445	5.1
111.00890	31.3
115.07653	18.6
129.01955	38.5
132.61427	1.1
138.75923	1.2
156.43097	1.5
161.04565	2.3
187.02425	1.9
205.03551	21.6
221.73784	1.2
223.04552	4.5
240.00052	1.2
284.02191	1.2
321.11887	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	321.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74911	0.7
55.01888	4.7
57.03455	19.7
58.03239	0.8
59.01384	6.6
67.01893	1.2
69.04378	0.7
69.79609	4.1
71.01384	6.7
72.99310	0.7
73.02979	1.6
75.00864	0.9
79.11118	0.7
83.01402	11.8
84.02172	2.7
85.02959	100.0
86.03294	3.4
86.25706	0.7
96.96004	1.0
99.00886	1.3
101.02462	5.7
111.00894	34.2
112.01246	1.3
115.07663	17.7
126.15234	0.7
128.53246	0.8
129.01958	45.9
130.02272	0.7
144.81242	0.8
161.04553	2.7
165.76625	0.8
183.10243	1.1
187.02484	2.3
187.40338	0.8
205.03543	22.8
206.04001	1.3
223.04631	3.7
241.00258	1.3
321.12012	2.9
325.40384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1459
Annotation	Terezine B
Peak:m/z	Relative Intensity
53.68343	1.2
55.01875	1.5
57.03452	2.4
58.00593	1.2
59.01388	47.8
63.96232	5.1
67.11565	1.1
69.03423	1.4
69.42522	7.6
69.42934	2.4
71.01387	34.6
72.99344	2.5
73.02956	9.5
74.99124	1.4
78.30414	1.2
78.98601	13.4
79.95734	1.7
82.02995	1.3
82.06587	1.3
83.01389	3.6
84.02176	1.2
85.02956	12.4
87.00865	2.3
89.02451	17.3
95.01382	3.3
95.05020	1.3
96.96019	50.4
98.19909	2.5
99.00880	3.3
101.02452	22.7
106.06621	2.2
108.04586	2.2
110.06122	3.8
113.02467	13.9
119.03519	6.2
119.05006	4.5
121.05349	1.8
122.06149	7.3
124.04018	1.3
127.85656	1.1
130.08748	7.1
134.06136	16.7
135.06967	5.3
136.07732	7.0
137.04814	1.3
138.05609	3.7
140.07201	29.3
143.03481	1.5
144.07843	2.2
149.04831	7.6
150.05589	3.9
152.07144	3.9
159.02925	2.2
159.10269	3.4
160.03940	1.3
161.04575	9.5
162.05646	12.7
162.44247	1.2
163.06364	2.5
163.07675	2.1
164.03545	10.6
164.07172	12.5
166.05096	7.5
167.05928	6.0
192.88052	1.1
230.11873	1.8
241.00160	2.1
241.10861	12.0
260.91644	1.2
261.12439	4.4
273.12448	4.3
303.13522	100.0
304.13855	9.8
318.67398	1.3
321.03052	2.2
321.06549	26.6
321.14941	23.7
322.06638	2.2
322.14560	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80619	0.5
55.01871	1.4
57.03450	0.8
58.00592	1.7
59.01385	44.8
69.37792	0.9
69.38192	2.9
71.01389	22.0
72.99302	2.1
73.02967	1.6
83.01394	2.0
85.02968	5.9
87.00883	2.0
89.02457	19.0
95.01396	1.3
99.00893	0.8
101.02452	12.9
113.02456	7.8
113.09737	27.8
114.10066	1.4
116.01740	0.5
119.03532	6.8
127.11252	0.6
130.85912	0.5
133.71022	0.5
137.69362	0.5
140.64882	0.5
141.09247	5.6
143.03523	0.7
143.10818	1.5
155.10774	2.9
156.11172	0.5
157.08690	1.0
159.10283	67.4
160.10611	2.4
161.04645	0.8
179.05524	0.6
201.11334	1.8
321.15561	100.0
322.15927	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42171	0.7
55.01877	0.7
57.03460	1.6
59.01387	100.0
60.01715	1.0
60.31739	0.7
61.46692	0.6
64.04465	0.7
71.01392	14.5
71.53539	0.6
72.99316	1.7
73.02947	4.3
74.99112	1.2
79.95796	0.7
83.01426	1.6
85.02956	8.8
86.00248	0.6
87.00864	0.9
89.02454	5.2
91.83773	0.6
93.03487	1.1
95.01417	1.3
96.96022	4.9
99.00898	1.7
101.02453	12.6
111.00960	0.7
113.02464	5.5
117.09272	0.9
119.03535	2.0
119.05018	0.9
120.99675	1.5
121.21240	0.7
129.01999	1.0
135.98434	0.8
143.03500	0.8
159.03061	0.8
161.04579	8.2
161.07275	1.0
162.04916	0.7
176.04041	0.9
191.05803	0.7
203.07323	0.9
225.04944	0.9
233.12265	0.9
240.08270	0.7
266.40189	0.7
279.14511	17.7
280.14954	1.1
321.06381	1.9
321.10236	1.1
321.14163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66981	0.7
59.01386	100.0
60.01740	1.3
65.51652	0.6
69.62510	5.0
71.01387	3.6
72.99325	1.1
73.02950	0.9
76.78204	0.6
78.98586	1.1
81.03464	0.8
83.01395	0.7
85.02980	2.6
96.96057	2.1
98.20641	1.4
99.00904	0.7
101.02463	3.0
113.02486	1.1
119.03562	0.8
120.99669	1.4
122.96471	0.7
125.02480	2.6
138.42154	0.8
159.10249	0.8
161.04669	1.6
167.01759	1.0
176.04134	0.9
191.05664	0.8
205.03581	2.9
214.50493	0.7
260.99319	0.9
261.13516	3.1
279.14642	0.9
303.09012	0.8
321.15735	2.7
343.33005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.2
57.03453	14.1
58.00588	4.3
59.01386	95.5
69.50396	8.5
71.01390	52.1
72.99312	5.7
73.02934	3.3
81.03477	1.4
83.01383	9.0
84.02173	1.4
85.02960	78.1
86.03316	2.5
87.00903	2.2
89.02452	41.9
92.39257	1.2
95.01381	4.4
95.55082	1.2
96.96007	1.4
98.19889	1.7
99.00901	3.3
101.02454	36.6
111.00892	25.1
112.01206	1.4
113.02460	17.7
113.09756	1.5
115.07648	12.3
119.03511	21.9
125.02474	3.6
129.01953	32.4
131.03548	1.6
141.08170	2.0
141.09233	17.6
143.03511	2.3
159.10246	5.6
161.04576	2.6
170.52837	1.4
179.05621	1.9
187.02516	1.7
193.04967	1.7
198.30161	1.2
205.03525	23.1
223.04649	4.6
241.00113	1.5
321.15576	100.0
322.15964	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95948	0.7
53.14965	0.7
55.01877	1.9
57.03449	5.2
58.00605	0.6
59.01385	100.0
60.01712	0.9
61.66766	0.6
67.01910	1.2
69.69250	1.5
69.69657	3.3
71.01389	13.2
72.99329	1.0
73.02952	4.9
75.00909	1.0
81.03463	0.7
83.01390	5.3
84.02184	0.9
85.02956	25.3
87.00901	1.3
89.02469	2.7
93.03492	1.3
95.01428	0.8
96.96060	1.1
99.00896	1.8
101.02453	11.0
107.01357	0.7
111.00887	8.0
111.58955	0.7
113.02470	4.2
115.07681	5.2
125.02467	2.1
129.01959	10.1
131.11211	0.6
135.04559	1.2
143.03542	0.9
147.04570	2.9
151.00417	1.6
159.03070	1.0
161.04555	6.4
176.03992	1.6
176.54128	0.8
177.02042	0.8
187.02472	0.8
198.22032	0.7
203.03522	1.0
205.03551	6.1
205.05139	0.7
221.19241	0.7
223.04636	1.1
231.03038	1.5
273.81992	0.7
279.14526	11.7
318.65494	0.8
321.15564	1.2
334.43289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03453	1.8
57.83179	0.7
59.01385	100.0
60.01718	0.8
68.13434	0.6
69.20376	6.1
71.01389	12.0
72.99334	0.9
73.02946	4.0
74.51262	0.6
74.91298	0.5
75.00915	0.7
83.01411	3.0
85.02959	11.9
87.00896	1.2
89.02470	2.6
95.01418	1.1
96.08154	0.6
96.96032	0.9
97.03009	0.7
99.00897	1.6
101.02447	10.8
103.05284	0.7
111.00898	1.9
113.02456	3.8
114.49339	0.6
115.07645	1.4
119.03501	0.8
120.99717	0.6
125.02483	2.7
129.01978	3.7
135.04547	0.8
137.25243	0.6
143.03558	0.7
147.04524	3.2
151.00388	1.5
159.03055	1.3
161.04576	7.1
166.78798	0.7
176.04002	1.5
179.00063	0.7
191.05620	0.8
203.03500	0.6
205.03622	2.8
279.14560	10.5
280.14923	0.9
321.02594	1.3
321.10184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.8
57.71273	1.0
58.45153	1.0
59.01384	100.0
60.01736	1.3
69.43439	3.4
69.43855	4.6
71.01391	5.0
83.01391	4.0
84.02201	2.1
85.02962	36.3
86.03285	1.2
88.69274	0.9
89.02470	3.2
101.02454	4.5
111.00906	10.5
115.07668	4.7
119.03499	1.4
129.01959	16.6
130.86002	1.1
133.82588	1.1
136.61670	1.2
161.04471	1.3
194.80312	1.1
205.03584	7.1
207.57054	1.1
223.04755	1.2
241.00310	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39800	0.9
55.01881	1.8
57.03452	5.3
58.92927	1.1
59.01385	100.0
69.19834	8.0
71.01405	4.9
73.02946	1.1
81.11387	1.1
83.01397	3.9
85.02963	33.8
89.02461	3.6
92.56677	1.0
101.02445	2.4
111.00886	11.0
115.07622	4.9
119.03479	2.1
119.35114	1.0
129.01971	13.2
139.00829	0.9
161.04523	1.2
185.29311	0.9
205.03481	6.5
223.04671	1.4
279.67902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03444	0.5
58.00593	1.6
59.01385	43.4
60.01705	0.5
71.01390	21.3
72.99321	1.3
73.02959	1.8
83.01399	1.9
85.02956	5.5
87.00891	2.0
89.02455	17.6
95.01408	1.7
99.95301	0.5
101.02454	14.9
113.02475	6.7
113.09738	27.8
114.10096	0.5
119.03506	7.3
127.11314	0.6
131.03494	0.6
141.09236	6.0
143.03514	1.1
143.10791	1.8
155.10817	3.2
159.10286	66.7
160.10587	3.0
170.30472	0.4
179.05571	0.9
201.11372	1.7
321.15576	100.0
322.15924	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	321.1709
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03455	6.8
59.01392	7.8
65.03968	2.0
66.10269	1.5
69.03467	2.1
69.36489	13.4
71.01390	4.0
71.05019	13.5
71.48171	1.6
73.02946	4.6
74.71735	1.6
80.02706	3.6
81.03462	12.0
83.05034	6.4
85.02996	1.9
93.03470	15.0
95.01397	2.1
95.05035	67.3
97.02999	1.7
97.06597	9.1
99.04527	2.6
107.05057	14.9
108.02136	1.9
109.06603	20.8
111.04549	13.3
119.05072	3.0
121.02948	11.3
121.06602	6.3
122.03754	3.1
123.04535	4.8
123.08188	7.0
125.09738	66.0
126.10031	2.4
133.06595	1.9
135.04532	12.0
136.05287	5.2
137.06082	6.1
139.11317	2.2
149.06064	13.2
151.07663	100.0
152.08034	2.7
160.05258	1.8
165.05576	5.3
167.07144	9.8
167.10805	2.6
171.10300	20.7
178.06349	5.6
185.11839	21.0
205.12411	4.7
219.13899	3.7
221.11926	1.9
223.13441	7.0
237.11337	3.4
237.15028	4.7
247.13461	7.9
249.11308	3.5
259.16989	2.1
265.14505	33.6
266.14868	2.3
266.92636	2.4
268.42105	1.7
275.16644	2.0
277.18054	2.0
279.16086	3.1
293.17627	3.5
303.15988	19.8
321.07632	3.6
321.17139	52.0
322.17496	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	321.2074
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01387	100.0
63.14867	0.9
66.43302	1.0
70.86322	1.1
71.01333	1.0
71.54167	1.8
83.12669	1.0
87.65508	1.0
103.04022	1.4
122.58303	0.9
165.12823	1.1
191.10764	1.5
220.33678	1.0
236.78281	1.2
245.19057	2.3
266.92554	1.7
289.18054	9.0
306.33875	1.1
321.20746	55.8
322.21072	6.6
329.59235	1.3
339.43744	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	323.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88529	0.3
59.01388	2.1
71.01398	0.7
71.05022	1.0
71.53996	0.4
85.02964	0.6
89.02471	0.4
93.03460	0.3
95.05017	0.3
99.04531	0.3
101.02487	0.4
110.25811	0.3
113.02445	0.9
125.61774	0.3
151.07726	0.6
155.21677	0.3
161.04507	0.5
171.10287	0.5
234.06877	1.8
235.07599	1.3
236.08409	3.3
247.07791	0.6
248.08423	1.6
249.09227	10.1
250.10004	31.1
251.10788	100.0
252.11145	10.1
252.13419	0.2
279.10281	27.0
280.10703	2.6
287.16632	0.9
295.09576	0.4
305.17633	0.8
306.09027	0.4
323.05725	0.6
323.09299	7.5
323.12717	0.4
324.09625	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	323.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88529	0.3
59.01388	2.1
71.01398	0.7
71.05022	1.0
71.53996	0.4
85.02964	0.6
89.02471	0.4
93.03460	0.3
95.05017	0.3
99.04531	0.3
101.02487	0.4
110.25811	0.3
113.02445	0.9
125.61774	0.3
151.07726	0.6
155.21677	0.3
161.04507	0.5
171.10287	0.5
234.06877	1.8
235.07599	1.3
236.08409	3.3
247.07791	0.6
248.08423	1.6
249.09227	10.1
250.10004	31.1
251.10788	100.0
252.11145	10.1
252.13419	0.2
279.10281	27.0
280.10703	2.6
287.16632	0.9
295.09576	0.4
305.17633	0.8
306.09027	0.4
323.05725	0.6
323.09299	7.5
323.12717	0.4
324.09625	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	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	79.6
58.00597	2.5
59.01385	100.0
71.01385	55.8
71.53225	3.2
73.02954	24.0
78.95917	4.7
79.05549	3.5
81.03479	4.1
83.01408	9.8
85.02977	13.0
87.00860	4.7
89.02451	50.5
95.01402	3.9
99.04521	56.8
100.04801	2.3
100.79401	2.5
101.02457	59.1
113.02439	26.4
113.06089	3.1
119.03512	20.0
123.03786	2.6
123.04527	15.9
125.02446	14.6
131.03452	3.2
141.05602	5.2
143.03513	10.2
143.32138	2.1
148.10065	2.4
149.04594	3.1
161.04578	97.2
162.04936	4.0
168.01630	2.6
179.05640	22.7
203.05733	3.4
211.00230	2.8
233.06680	4.8
263.07703	15.8
323.10101	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	323.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	82.1
58.00591	3.5
59.01385	98.7
70.57293	5.3
71.01388	46.8
73.02948	29.6
83.01396	9.2
85.02965	10.6
89.02447	49.6
95.01433	4.4
96.96026	5.4
99.04535	60.7
101.02454	55.1
111.00840	2.9
113.02468	28.5
113.06090	6.6
119.03527	20.3
123.04550	19.1
125.02451	14.1
131.03479	5.6
131.53860	2.9
141.05571	7.8
143.03510	8.3
149.04535	4.4
153.05583	4.5
161.04564	100.0
162.04973	3.8
179.05614	22.8
206.70189	2.3
233.06656	6.4
263.07779	19.2
323.10031	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	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
58.00588	2.9
58.83634	1.0
59.01385	100.0
60.01734	1.2
70.99535	1.0
71.01387	46.9
71.17642	2.8
72.99313	3.5
73.02940	1.3
78.01785	0.8
83.01373	2.5
85.02952	9.7
86.54050	1.1
87.00884	1.2
89.02454	54.7
90.02799	1.2
95.01394	4.0
99.00858	1.2
101.02455	32.4
102.02818	1.2
113.02458	20.3
119.03517	27.1
131.03497	1.3
143.03488	2.0
143.07318	1.1
145.57204	0.9
149.04500	1.1
152.71808	1.0
161.04573	1.6
161.08205	2.2
179.05661	3.4
323.13492	94.6
324.13864	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03464	1.0
58.00600	4.0
59.01385	100.0
65.03630	1.0
69.75518	5.4
71.01390	46.0
71.11341	1.1
72.99308	2.7
73.02958	1.8
83.01402	1.4
85.02971	7.9
87.00913	1.4
89.02456	52.1
91.57720	1.0
95.01392	4.0
101.02455	29.7
108.90024	1.0
113.02454	19.4
119.03519	25.8
131.03523	2.0
143.03497	2.6
161.04556	2.2
161.08113	2.3
179.05624	3.3
225.41164	1.0
323.13498	97.0
324.13779	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	323.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40033	0.6
57.03454	2.2
59.01387	100.0
60.01712	0.8
71.01395	4.4
72.99315	0.8
73.02953	1.6
79.95751	0.6
85.02968	2.4
89.02435	1.5
89.26503	0.6
93.07077	0.7
96.96018	2.1
99.04494	1.3
101.02461	3.5
101.57957	0.6
109.03009	0.9
113.02478	3.0
119.04996	0.6
153.01973	0.7
161.04616	3.0
173.04626	0.8
179.03726	0.8
181.01564	0.7
191.05635	1.3
203.07227	0.8
207.77835	0.7
215.54373	0.6
226.04912	0.9
247.09891	1.2
261.15005	0.9
263.15024	4.4
323.05707	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55898	2.7
57.03447	8.2
59.01387	28.5
60.47475	2.7
69.03480	3.6
71.01390	6.8
71.05025	21.5
81.03455	3.9
84.02132	3.4
85.02971	5.2
95.05031	37.1
96.96038	5.7
97.06598	10.5
101.26328	3.0
101.59490	2.8
109.06599	24.9
113.02435	9.1
119.05034	6.0
121.02949	3.9
123.08212	6.3
125.09733	20.8
135.02278	2.8
135.08165	12.1
136.05330	3.5
151.07629	10.4
151.11263	7.5
153.09242	6.8
171.10289	100.0
172.10611	4.6
187.09821	7.7
189.12831	9.6
199.09734	5.7
201.11369	16.5
209.11821	6.8
211.13441	3.5
225.11142	3.7
233.11925	8.4
249.14944	22.4
263.16330	6.4
264.04309	6.2
279.06586	3.0
279.10287	3.5
279.19662	12.0
287.16678	4.6
287.55322	2.7
305.17572	19.3
308.03162	6.0
323.05560	9.3
323.09402	5.6
323.12881	6.7
323.18576	10.2
324.06104	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	323.1868
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03447	8.9
59.01391	21.4
59.64018	2.3
69.03448	4.9
69.86026	8.3
69.86427	5.5
71.01392	7.0
71.05031	14.6
81.03457	9.5
83.01392	17.0
83.05021	10.7
84.02175	2.5
85.02959	4.7
93.03473	3.0
94.90362	2.5
95.05046	30.2
96.96094	2.9
97.02969	4.9
97.06600	20.8
101.02467	2.9
105.15260	2.4
106.04251	3.0
107.05060	5.3
108.02188	6.4
109.02993	3.2
109.06593	5.6
111.08127	2.6
113.06103	5.5
119.05056	5.2
121.02979	5.8
121.06604	5.2
123.04520	7.5
123.08170	7.2
125.06098	2.9
125.09743	25.8
135.08153	16.4
149.09796	4.1
151.11348	4.5
153.09247	4.0
163.11308	11.9
165.12781	4.9
167.10760	2.6
171.10316	4.5
181.12370	6.0
185.11853	21.4
188.98872	2.5
189.13014	5.0
191.10770	9.6
199.13458	16.7
199.15030	3.2
203.14386	8.8
209.11844	100.0
210.12151	4.7
221.11868	5.7
223.13499	2.6
233.11792	4.0
237.14935	30.4
243.17471	5.3
247.13403	8.8
249.15034	4.2
251.12846	7.7
265.14536	20.3
287.16537	22.8
305.17664	30.8
306.17798	2.7
323.18649	35.1
324.19186	5.6
340.12958	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	323.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	13.8
59.01385	20.1
69.36204	26.7
71.01387	4.0
71.05026	10.9
81.03468	9.7
83.01388	11.8
83.05021	8.3
85.02951	3.9
93.03424	4.1
93.63746	3.4
94.66908	3.8
95.05040	42.0
97.02938	4.1
97.06586	21.6
98.20638	5.8
99.04545	4.9
101.02512	3.4
106.04297	4.6
109.06618	6.1
111.04507	3.5
111.08160	4.0
113.06087	5.7
119.05016	7.3
120.05845	5.4
121.02989	5.8
121.94727	3.1
123.04544	11.6
123.08174	9.8
125.06017	5.8
125.09740	44.0
135.08177	21.1
137.99687	3.9
149.09662	4.8
153.09126	4.5
163.11343	8.3
171.10243	4.5
177.23340	3.5
185.11884	33.5
189.12869	4.5
190.86456	3.2
191.10809	8.4
197.11890	5.1
201.11310	9.5
203.14403	10.5
209.09915	6.8
209.11856	100.0
210.12181	9.7
211.13390	8.5
213.11282	5.0
235.13332	4.0
237.14961	6.6
243.17534	10.8
247.13368	15.6
249.14847	5.1
265.14450	37.4
266.14877	4.4
287.16483	11.6
287.91995	3.6
305.17621	33.1
323.05396	6.0
323.09280	6.6
323.12836	5.3
323.18637	88.7
324.19049	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	323.223
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01188	0.9
59.01509	2.2
60.12661	0.4
69.21500	2.9
69.21908	1.3
71.01493	0.6
79.26866	0.5
91.43933	0.4
113.02596	0.7
113.52023	0.5
119.05141	0.9
123.04689	1.0
137.06181	1.1
137.09863	0.5
146.85126	0.4
151.07745	0.5
153.09383	0.8
156.04442	0.6
165.09384	2.1
165.13026	1.8
169.21718	0.4
185.12070	0.4
188.61554	0.5
191.14452	0.6
193.12482	0.5
198.09171	0.6
217.16124	0.9
249.18521	0.5
261.22192	4.8
264.98926	0.5
267.73163	0.5
279.23380	0.7
286.72171	0.5
287.20221	0.8
305.21243	100.0
306.18369	0.7
306.21631	10.1
323.18454	0.8
323.22275	17.1
324.22504	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	324.209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85116	1.9
59.01379	3.4
119.04957	1.9
121.74680	1.7
127.33345	1.7
140.04523	2.1
160.44742	2.0
182.84209	1.9
183.01212	46.9
184.01978	4.4
197.02843	2.3
201.03532	1.8
216.00859	2.6
228.96896	2.0
239.14235	1.8
325.18433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99609	24.6
59.01383	1.4
61.23739	0.7
70.08023	1.6
70.08415	1.4
71.01389	14.2
74.99098	5.1
79.33804	0.6
80.63078	0.6
83.05071	0.8
87.39857	0.6
99.04507	1.2
102.98606	100.0
103.98987	1.1
115.02232	2.2
119.05025	6.3
121.02965	33.6
122.03358	1.2
133.03308	47.3
134.03633	0.8
168.89143	0.6
171.10378	1.0
175.04335	1.8
191.03488	1.3
203.03862	4.5
233.86581	0.6
249.08305	0.8
325.07657	2.8
325.20276	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	325.0933
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01355	0.6
69.96188	1.5
74.96272	0.4
93.03481	0.5
98.19973	0.7
119.05042	100.0
120.05367	4.8
125.36291	0.4
144.96391	0.4
163.04030	72.9
164.04384	4.5
166.71291	0.4
168.88091	0.5
177.84268	0.5
191.30997	0.4
196.31941	0.4
325.09222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95009	1.0
59.01388	100.0
60.01731	1.8
70.95392	3.2
71.01385	9.4
72.22104	1.1
72.99307	1.2
73.02944	3.3
80.46500	0.9
83.01407	1.3
85.02960	3.1
87.71404	1.0
89.02464	4.5
99.00875	1.4
101.02447	9.0
102.67970	1.0
113.02460	4.5
119.03537	1.7
134.04784	7.3
161.04636	5.9
189.86107	1.1
207.00972	1.2
265.12939	23.8
288.28094	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29508	2.0
57.03444	2.3
58.00580	4.7
59.01382	20.2
69.03474	3.8
69.26956	19.1
71.01380	10.1
84.02183	6.7
85.02962	2.2
97.06545	3.9
105.07078	2.5
106.04246	3.3
109.06590	4.7
111.08175	38.6
123.08180	16.9
125.09726	10.3
127.11292	7.9
135.08174	7.5
137.09721	3.5
153.09207	6.3
155.10815	11.9
165.09204	3.4
167.10770	10.9
171.10300	70.0
172.10634	2.3
181.12387	2.7
183.01218	3.4
183.10246	7.8
185.10245	3.7
185.11847	49.2
186.12225	2.7
195.10301	3.8
197.11835	24.3
201.11325	69.8
202.11668	5.9
209.11914	6.0
213.11331	27.3
215.12888	3.5
227.13000	3.3
230.09677	2.6
245.19077	8.4
289.18094	15.2
290.18649	3.4
307.19318	8.1
325.14627	4.4
325.20224	100.0
326.20465	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2024
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03450	3.8
59.01379	3.2
61.76985	1.7
61.82509	1.7
69.03472	3.2
69.21857	14.1
71.01394	5.7
71.05023	8.0
72.01761	1.6
79.52783	2.0
83.05047	10.1
84.02193	3.8
95.05025	5.2
97.06590	8.0
98.20694	3.5
99.04539	1.9
99.08179	3.7
106.04268	2.1
109.06568	2.2
111.04536	2.6
111.08163	1.7
112.05349	1.9
115.07613	1.7
121.06617	1.9
123.04521	2.8
123.08168	5.3
125.09756	8.1
126.81611	1.7
127.07663	15.3
135.08162	6.5
139.07692	4.6
140.69954	1.7
141.09259	2.2
153.09235	21.8
155.10780	4.6
163.11325	4.0
165.12823	3.8
167.10892	2.0
171.10275	30.9
178.09970	3.1
185.11855	17.8
191.10753	2.1
197.11823	19.3
201.11263	5.1
209.11838	80.1
210.12210	4.4
211.13437	3.5
225.11288	2.2
235.13432	2.8
237.14885	3.8
238.12190	8.8
245.19104	2.9
256.13153	3.7
264.49463	1.7
279.19742	2.2
289.18137	15.6
307.19174	100.0
308.19559	8.2
325.20206	61.0
326.20532	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	325.2023
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.03001	1.4
57.03440	6.9
58.00598	3.3
58.02546	1.4
61.00854	1.3
69.03457	1.6
69.24003	11.1
69.24422	4.2
71.05021	2.7
81.03481	2.0
83.05036	1.9
85.64722	1.5
97.06621	3.9
109.06573	2.9
110.03770	1.8
110.22394	1.4
111.08160	27.2
121.03040	1.4
123.08188	4.9
125.09734	37.0
127.11295	11.3
135.08156	2.5
137.09738	10.4
139.11319	3.2
141.09233	4.2
141.12929	1.5
151.11282	5.5
153.09244	6.5
155.10791	5.3
164.08421	4.3
165.09209	3.3
169.08705	1.6
169.12340	3.4
171.10263	18.8
181.25357	1.6
183.10306	2.9
195.10266	6.1
197.11824	5.3
199.09775	3.5
201.11339	97.0
202.11662	4.9
211.13361	5.3
213.11333	70.0
214.11739	3.7
227.12901	1.6
237.14856	2.6
245.19171	2.6
250.05899	1.6
289.18097	27.4
290.18256	2.2
307.19186	53.2
308.19543	4.5
325.20221	100.0
326.20541	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60036	1.8
54.93096	1.8
57.03447	6.6
58.00599	2.6
59.01385	12.1
67.59732	1.7
69.03463	3.9
69.20907	18.8
71.01366	3.1
73.02940	6.7
83.05037	2.8
91.92696	1.8
95.05065	2.1
97.06592	14.3
103.41970	1.6
106.31752	1.8
123.08165	15.0
125.09743	100.0
126.10037	3.6
127.07616	3.1
127.11279	6.1
135.08159	3.9
137.09688	3.6
141.09236	70.9
142.09552	2.9
143.10785	4.9
153.09215	4.7
153.12874	2.1
155.10774	7.4
165.09138	2.1
169.08659	3.9
171.10291	21.1
183.10324	2.4
187.09756	14.4
197.11792	5.3
199.09711	5.3
199.13397	4.7
201.11353	78.4
202.11679	5.8
215.12807	2.9
227.12923	11.4
229.14392	6.9
263.20227	9.0
267.19846	2.7
273.54922	1.9
281.21219	3.3
289.18073	4.9
297.20694	16.3
307.19162	28.7
308.19370	2.8
325.11084	2.8
325.14438	2.8
325.16614	2.4
325.20227	30.5
326.20520	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	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
58.00591	6.2
59.01389	23.8
62.28995	2.7
69.58990	6.0
69.59399	13.7
71.01385	9.3
73.02956	3.7
73.07215	2.6
81.03469	3.5
83.05022	3.8
88.72387	3.0
96.64843	3.0
98.19949	4.8
105.07129	4.8
109.06599	6.3
111.08173	54.0
119.05023	3.8
121.06635	3.8
123.08156	17.1
125.09756	12.0
127.07655	2.9
127.11269	11.6
135.08148	13.7
137.09747	6.6
139.11288	3.9
151.11353	3.0
153.09250	6.7
155.10750	16.4
163.11197	5.8
165.09248	4.3
167.10782	12.5
169.12323	7.7
171.08826	4.7
171.10297	85.6
172.10747	3.8
181.12338	3.2
183.10292	12.4
185.10254	4.2
185.11852	60.8
191.14542	3.0
191.57632	2.8
195.10387	4.2
197.11845	33.5
201.11360	78.6
202.11711	6.3
207.10211	3.4
209.11919	9.8
213.11339	27.5
245.19101	7.8
289.18015	13.7
306.86417	2.9
307.19208	14.6
308.19589	3.2
325.20209	100.0
326.20575	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	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.01891	0.8
55.79530	0.8
57.03454	4.3
59.01391	5.5
70.03659	3.2
70.05986	1.0
71.01398	1.5
71.05011	3.6
80.02686	6.4
83.05019	1.6
84.02178	6.4
97.06595	10.5
98.20675	1.2
99.08150	1.3
107.98283	0.9
111.08167	1.1
113.09716	1.7
121.02928	1.3
123.08160	7.4
125.09737	85.0
126.10020	4.3
126.71449	0.8
127.11279	3.4
135.04558	1.2
135.08154	1.6
137.09734	46.8
138.10036	1.3
139.11259	1.0
141.09238	1.0
149.09804	1.6
151.07680	1.4
153.09216	6.5
155.10806	11.7
163.11279	1.3
164.08453	2.1
165.12822	0.9
169.08675	3.3
171.10306	6.4
187.09723	2.3
201.11247	2.0
209.11877	7.0
211.09789	0.9
213.11276	1.2
213.69170	0.7
225.91685	0.7
227.12880	3.1
229.25829	1.0
237.22281	0.9
245.19012	1.2
263.20020	1.6
279.19614	2.7
280.09821	1.4
281.21259	3.1
289.18112	9.0
290.18408	1.0
293.17667	1.1
297.20660	1.1
307.19171	100.0
308.19498	10.4
325.20309	17.4
326.10345	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	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.01876	1.0
57.03453	4.9
59.01375	6.5
69.03469	1.4
69.95141	4.2
71.01377	2.3
71.05013	2.3
80.02672	4.9
83.05034	1.8
84.02180	5.9
84.02580	1.1
85.02946	1.6
95.05051	1.4
97.06589	9.2
98.20579	1.0
101.02448	1.1
113.09711	2.0
123.08186	5.8
125.09734	70.4
125.91473	0.8
126.10058	3.1
127.11274	2.5
129.09239	3.3
135.08148	1.2
137.09734	45.6
138.10077	2.4
139.11287	4.3
141.09245	1.6
151.07654	1.3
151.11284	2.0
153.09201	2.8
153.12712	1.3
155.10773	9.0
164.08330	1.1
169.08672	2.2
169.12402	1.6
171.10258	4.3
183.01224	1.9
183.10237	2.2
187.09691	1.8
197.11783	1.2
201.11372	2.7
209.11823	5.6
213.11299	1.5
215.12889	9.3
225.11295	1.3
227.12819	4.2
229.53999	1.0
249.18599	1.5
250.12076	1.2
253.18095	1.2
263.20132	2.1
269.21118	1.3
279.19644	3.8
281.21207	3.9
289.18124	8.6
297.20972	1.8
307.19177	100.0
308.19537	11.3
325.20444	19.2
325.23907	1.9
326.20633	2.4
349.11581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
51.57636	0.4
59.01369	0.5
63.60464	0.5
70.02724	1.8
72.64586	0.4
73.06871	0.4
93.68049	0.5
94.46381	0.5
121.75546	0.5
149.09734	87.0
150.10106	4.4
157.53246	0.5
163.11301	100.0
164.11615	5.3
170.00294	0.6
171.23410	0.5
172.62163	0.5
175.61772	0.5
183.01228	8.5
184.01952	0.6
198.56940	0.5
216.00952	0.9
309.84192	0.5
325.18350	14.8
325.21747	87.6
326.18695	1.7
326.22086	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	326.1037
Annotation	(-)-Stephadiolamine beta-N-oxide
Peak:m/z	Relative Intensity
50.73449	0.9
59.01384	2.0
61.25300	0.9
65.62417	0.9
66.78893	0.9
70.18560	3.1
89.55299	1.0
97.06624	1.0
97.33595	0.9
98.80148	0.9
115.92029	0.8
131.38017	0.8
137.54494	0.9
168.91454	1.2
171.10397	0.9
199.00743	1.2
207.08386	1.1
210.12349	1.1
219.19737	1.2
232.59560	0.9
232.89861	0.9
235.07697	2.7
238.06395	1.2
239.07114	2.9
240.07945	4.9
249.09177	2.0
251.10873	1.3
253.08766	3.3
264.07813	1.0
267.10376	2.1
275.72101	1.0
277.08630	3.1
278.09171	0.9
279.10355	1.7
282.11090	1.1
283.08539	1.2
289.82834	1.0
294.07794	1.3
295.09909	1.1
296.10440	1.3
308.09375	6.7
309.09772	1.5
312.03098	1.1
326.10361	100.0
327.10703	10.0
327.21805	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92826	0.3
58.99612	1.1
59.01384	0.7
71.01385	1.4
73.01180	100.0
74.01143	0.5
74.01524	1.8
74.99133	0.4
85.02952	0.6
87.00892	3.7
89.25777	0.3
93.03461	0.7
102.98611	4.8
117.00176	4.5
120.99678	13.7
121.02966	9.2
122.03336	0.4
123.15376	0.3
135.01218	1.0
135.04475	0.3
137.00681	0.9
137.02475	0.7
161.02808	17.5
162.03120	0.4
173.04506	0.6
191.05704	0.5
205.01801	7.4
225.11299	0.4
227.70612	0.4
228.95958	0.4
239.03850	0.5
280.26440	0.3
313.13568	0.4
327.05475	5.3
327.09024	0.7
327.21954	0.5
328.17557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
57.03459	20.0
57.77464	1.0
59.01382	3.2
59.56547	1.1
61.03888	1.4
63.81284	1.2
67.01871	1.7
69.95644	3.8
69.96046	2.7
71.01398	6.7
72.99319	1.7
73.02950	3.2
83.01392	9.0
84.02174	1.5
85.02958	100.0
86.03252	1.6
89.02400	1.0
89.38383	1.3
99.00945	1.5
101.02440	5.0
101.17486	1.4
111.00891	22.5
121.02967	18.1
129.01956	40.0
134.37263	1.2
147.04546	3.1
158.41904	1.2
161.04626	2.8
161.45074	1.3
165.05566	4.3
189.05597	1.5
205.03577	14.9
246.32721	1.2
251.36385	1.3
274.69818	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	327.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
57.03452	21.0
59.01365	1.9
67.01917	1.2
68.99820	1.1
71.01379	6.2
71.18461	1.1
71.18789	1.3
71.25599	1.0
73.02931	2.4
75.00868	1.6
83.01393	10.6
84.02178	2.4
84.11887	1.1
85.02956	100.0
86.03306	1.3
90.36998	0.9
99.00910	1.2
101.02445	4.7
111.00892	24.4
121.02971	15.6
129.01953	45.9
130.02254	1.0
138.13948	1.0
143.95032	1.0
160.64001	1.0
161.04633	3.0
173.62363	0.8
187.02492	2.0
187.48380	1.0
205.03552	15.2
217.49698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.6
57.03452	19.8
59.01378	1.4
68.99804	1.1
70.20321	1.1
71.01389	5.3
71.08442	2.9
72.99323	1.9
73.02970	2.8
77.47237	1.2
80.53133	1.1
83.01381	9.8
84.02165	1.9
85.02960	100.0
86.03289	2.1
99.00925	1.6
101.02470	5.8
101.03039	1.3
101.58669	1.3
111.00889	20.6
121.02976	18.9
124.16309	1.1
124.55935	1.2
129.01953	40.1
130.02333	1.4
161.04529	2.9
187.02496	1.2
188.23633	1.1
190.05457	1.1
198.50949	1.6
205.03575	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	327.0876
Annotation	Garvin C
Peak:m/z	Relative Intensity
50.29541	1.1
57.03445	2.0
59.01369	3.3
60.00930	1.1
71.01371	1.3
85.02949	4.0
93.03481	1.2
97.02962	1.5
97.06588	1.1
98.19879	2.5
107.05041	12.0
108.48256	1.0
109.02933	1.3
119.05042	24.4
121.02959	4.1
123.04531	1.2
125.09712	2.4
128.51450	1.3
134.03745	4.0
135.04543	100.0
136.04887	4.7
137.09796	1.0
140.16557	1.1
147.04543	72.8
148.04869	2.9
149.06094	4.7
157.06691	2.0
157.08766	1.2
159.04344	1.1
161.06033	1.7
171.10303	8.4
173.06134	2.0
183.14015	2.8
190.02814	2.0
191.03491	4.1
193.06598	1.1
196.74374	1.1
201.11304	3.6
209.05951	1.5
209.11842	1.2
211.13426	5.1
219.08182	4.2
220.08937	13.5
221.06134	2.8
221.09755	2.6
222.06886	4.0
223.07561	4.1
224.08392	1.5
225.05505	1.4
229.14407	3.4
232.05330	2.9
235.07603	2.0
237.09238	4.2
238.06258	1.8
239.07181	1.9
239.10786	2.0
239.16725	1.5
240.07906	1.7
241.05226	1.4
241.08757	3.7
247.07666	15.3
248.08450	29.0
249.05574	5.5
249.08713	2.4
250.06383	16.8
251.07053	3.0
252.07707	1.7
253.05116	1.5
253.08693	4.7
255.10307	1.9
264.07901	2.3
265.08716	30.4
266.09372	5.3
267.06763	2.7
267.10321	14.3
268.07410	7.9
269.07635	2.3
281.08093	1.3
281.86823	1.1
283.05359	2.6
283.09784	30.0
284.10150	2.1
285.07678	3.0
291.19696	1.4
292.07416	1.8
294.05389	3.1
297.04160	1.5
309.07678	14.7
309.20624	1.5
310.08093	2.8
312.06195	2.9
327.08762	80.2
327.21814	40.3
327.24698	0.7
328.08987	9.3
328.22104	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	327.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48101	0.8
51.91410	0.8
55.01883	1.3
57.03452	1.6
58.00593	1.7
59.01386	40.0
69.31273	2.5
69.31677	4.3
71.01391	20.3
72.99306	3.6
77.13531	0.8
83.01392	2.0
83.52412	0.8
85.02957	9.4
89.02458	19.5
95.01385	1.4
98.20728	1.4
101.02451	12.0
103.05534	4.0
111.00896	1.1
113.02450	6.6
113.62128	0.9
119.03508	7.6
119.05020	3.4
123.67533	0.8
129.01936	2.0
147.04538	100.0
148.04857	2.8
149.04527	1.2
165.05592	13.9
179.05653	1.1
205.03438	0.9
327.10876	49.4
328.11276	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	327.1088
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.92270	1.2
54.18911	1.1
55.58251	1.2
57.03445	4.6
59.01385	40.1
68.04969	1.0
69.42118	6.8
71.01388	17.9
72.99314	2.8
73.02971	1.7
83.01395	3.1
85.02963	30.2
89.02462	17.2
101.02441	12.5
103.05551	3.2
111.00887	6.6
113.02463	7.6
119.03532	6.0
119.05016	3.9
121.02967	5.2
129.01968	11.4
143.03445	1.1
143.81744	1.1
145.15494	1.2
147.04535	100.0
148.04871	4.3
161.04562	1.7
165.05577	12.8
170.75714	1.2
189.19191	1.4
205.03522	5.5
235.06078	1.1
327.10880	54.3
328.11154	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	327.1243
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
57.03430	2.5
59.01384	5.0
61.98814	2.3
67.01912	2.1
70.66875	5.8
71.01404	3.5
85.02966	6.9
93.03470	4.5
96.96025	5.4
99.92604	6.4
109.02984	3.0
115.92080	7.9
116.92834	12.4
121.02976	23.1
133.02956	2.7
135.04544	2.7
145.02936	2.7
146.03714	3.8
147.04514	8.0
159.04387	2.3
161.02477	4.1
163.04060	3.2
163.71394	2.4
175.04030	28.7
190.06398	7.6
195.08224	3.5
197.06055	2.4
209.06111	2.6
211.07625	4.0
211.13501	2.5
213.05606	2.6
222.05338	6.8
223.07671	6.3
225.09253	4.2
233.06116	5.2
236.05099	2.1
237.05548	2.3
238.06363	2.8
239.07114	8.0
240.07918	3.1
241.04999	3.8
241.08705	2.7
249.05582	4.5
250.06337	6.6
251.07193	11.6
252.07639	2.6
253.08702	2.6
254.05865	3.7
261.05634	6.2
262.06281	2.9
263.07056	2.7
267.06665	9.7
267.10098	1.9
268.07318	4.1
269.08084	20.1
269.43063	2.3
278.09662	2.3
279.06570	24.0
280.07336	2.6
280.11163	3.2
283.09805	7.2
283.13385	2.9
284.03326	4.1
288.08368	5.8
294.09027	9.6
297.07712	83.8
297.11072	5.7
298.08087	9.3
309.11404	27.1
309.14853	3.3
310.11682	6.4
311.09500	2.8
312.06537	4.0
312.10089	63.9
313.10431	6.5
327.05554	20.1
327.09070	6.4
327.12408	100.0
327.15854	6.7
327.21646	13.8
328.05438	3.5
328.12796	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	327.2179
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.54397	0.9
57.03454	9.6
57.36589	0.9
57.43588	1.0
57.57712	1.0
58.00583	2.5
69.17847	5.6
69.18275	3.8
73.02951	0.9
83.05035	1.2
113.09739	25.1
113.22154	0.9
114.60234	0.9
125.09756	12.9
127.11314	13.6
132.96127	1.1
137.09697	3.4
139.11273	1.8
139.12418	1.1
141.09259	2.6
151.11273	3.7
153.09239	2.9
155.10777	4.5
157.12325	1.1
165.09218	4.4
171.10301	9.7
177.09218	1.5
183.10246	2.0
195.10287	3.2
199.09763	4.0
201.11345	81.4
202.11737	5.5
213.11348	51.1
214.11674	2.8
291.19763	8.0
292.19855	1.2
309.20721	17.1
310.21194	2.4
327.21783	100.0
328.22159	13.4
340.82986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.9
57.45393	0.9
58.00615	0.8
59.01383	2.3
69.03480	2.4
70.43445	2.6
70.43799	1.1
71.01376	1.7
71.05023	1.2
73.02951	1.2
80.02689	1.5
81.03458	0.9
83.05032	1.1
84.02184	7.8
97.06595	1.0
99.08167	5.3
111.08208	1.0
113.09731	3.6
123.08167	1.6
125.09727	7.6
127.11308	3.2
129.09178	1.5
137.09706	7.0
139.11304	1.2
141.09245	2.5
142.21474	0.8
153.09300	0.9
153.12907	0.8
155.10805	5.4
165.12816	1.7
167.10841	1.9
169.12340	1.9
170.05898	0.9
171.08824	2.0
171.10283	33.5
172.10625	1.7
183.10291	4.3
185.11847	12.3
195.10187	0.9
197.11856	11.1
201.11354	11.2
209.11876	3.4
213.11327	2.5
215.12779	0.9
227.12996	4.0
229.14439	1.1
247.20650	1.7
256.56314	1.1
291.19690	5.0
309.20667	2.9
327.21802	100.0
328.22086	11.0
335.54449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.05744	0.8
51.79853	0.9
57.03452	2.3
58.00593	1.5
59.01369	1.5
65.63675	0.7
69.03458	1.1
70.76035	2.1
71.01378	1.3
73.02946	0.9
80.02668	1.5
83.05030	1.3
84.02176	2.9
85.02979	1.0
97.06602	1.6
99.08179	3.4
111.08142	1.2
113.09728	3.8
121.02970	7.9
123.08186	0.8
125.09750	8.9
127.07655	0.8
127.11306	2.9
129.09198	1.5
137.09706	3.7
139.11287	1.8
141.09279	1.4
151.11293	1.0
153.09219	2.0
155.10838	4.4
156.59703	0.8
165.12910	1.6
166.61070	0.8
167.10875	1.4
169.12358	2.3
171.10283	30.1
172.10510	1.6
183.10239	3.4
185.11830	14.5
195.10277	0.9
197.11862	11.2
198.12198	0.9
199.13391	0.9
201.11336	14.8
209.11871	2.9
213.11337	3.8
227.12958	5.0
247.20677	1.5
281.21512	0.9
291.19772	5.9
309.20636	2.8
327.21802	100.0
328.22177	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.21465	0.6
57.03438	1.0
59.54862	0.5
63.19389	0.5
69.45814	4.2
71.01395	1.4
71.05032	0.7
85.02981	2.8
97.06599	4.6
98.19913	0.8
109.06548	0.6
125.09731	1.7
127.11365	0.9
155.10721	0.8
165.12814	0.7
167.14386	0.6
171.10284	6.7
177.12888	1.2
177.93732	0.5
183.13890	3.6
185.11810	1.7
193.12459	1.4
197.11804	0.6
209.11852	1.4
210.65541	0.5
211.13409	19.7
212.13733	0.9
221.11823	3.7
229.12300	1.2
229.14455	15.0
229.16742	0.8
230.14711	1.3
239.12944	2.4
245.71768	0.6
249.48082	0.6
291.19684	2.9
327.21786	100.0
328.22116	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	327.2543
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03888	6.1
59.01390	14.1
81.03461	9.0
83.05041	25.8
89.71616	5.8
98.20756	11.0
109.76128	6.7
124.33514	5.9
171.10294	10.4
177.51768	6.8
185.00685	14.9
189.96988	6.9
235.20618	23.7
253.21771	100.0
254.22092	14.3
299.26062	7.0
314.20410	7.2
327.05130	9.1
327.18292	62.6
327.22000	18.5
327.28732	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	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.21434	0.9
59.01386	100.0
71.16441	1.9
72.21309	1.1
78.13026	1.1
104.35342	1.1
115.83518	1.2
120.92479	1.6
178.41362	1.2
185.00850	2.2
224.53694	1.1
233.65831	1.1
267.69312	1.2
327.18283	3.7
327.22186	2.7
327.29062	71.8
328.29370	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	327.2907
Annotation	2-Hydroxyphytanic acid
Peak:m/z	Relative Intensity
52.66018	0.4
55.01873	0.5
57.03461	0.4
70.02846	1.6
75.74830	0.3
89.96748	0.3
117.99928	0.5
125.69669	0.4
183.01160	0.4
185.00833	1.3
194.53767	0.4
253.25444	0.7
258.80084	0.4
277.25302	0.7
279.26962	3.0
281.28516	55.3
282.28860	7.0
309.28046	1.3
325.27667	0.7
327.18500	6.0
327.29062	100.0
328.18607	0.8
328.29391	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	328.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.8
57.03456	17.2
59.01371	2.5
59.15708	1.0
67.01891	1.9
67.22681	1.0
70.69307	3.1
71.01392	8.1
72.99318	1.9
73.02940	2.5
78.03500	2.1
82.02972	2.0
83.01395	6.9
84.02175	3.2
84.04562	2.5
85.02956	100.0
86.03282	1.8
87.00879	1.4
96.27444	1.1
99.00900	1.4
101.02448	7.1
104.24171	1.1
108.02180	3.4
111.00902	17.9
122.02493	22.4
122.03756	21.7
123.02764	1.3
123.04510	3.4
128.03555	12.4
129.01958	36.1
130.02277	1.4
141.69408	1.2
152.01248	1.8
161.04565	4.9
167.03526	3.6
177.04132	1.3
181.09866	2.0
191.05630	2.7
199.10878	9.8
205.03546	20.3
206.04099	1.5
255.93524	1.2
310.14166	2.6
329.08688	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	328.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.7
57.03456	16.3
59.01383	2.3
69.17562	3.4
69.17981	7.0
71.01392	6.8
73.02948	4.2
75.00899	1.0
78.03495	2.7
83.01409	7.9
84.02187	2.0
85.02959	100.0
86.03316	1.9
88.27843	1.0
92.02579	1.4
93.32506	1.1
99.00874	1.4
101.02440	6.4
107.03645	4.7
108.02171	1.8
111.00896	19.9
122.02496	27.7
122.03762	7.8
123.02798	1.2
123.04518	2.1
129.01952	35.8
130.02318	1.4
130.94446	1.0
134.04742	84.2
135.05095	3.2
146.85783	1.0
161.04547	3.0
167.03508	3.2
205.03545	17.4
206.03859	1.6
259.55988	1.0
273.90579	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	328.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.3
57.03455	15.8
59.67926	1.4
67.01891	1.9
71.01384	4.8
71.43017	2.7
72.99310	1.5
75.00867	3.1
78.03481	3.1
83.01394	6.7
84.02203	1.8
85.02955	100.0
86.03294	3.5
87.00832	1.7
99.62585	1.4
101.02447	2.5
108.02180	1.4
111.00885	17.4
122.02486	26.6
129.01959	34.8
161.04585	3.1
167.03506	3.1
187.02522	1.9
205.03561	16.8
259.89764	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	328.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.9
56.02208	1.9
57.03455	23.4
58.03786	7.2
59.01379	3.7
60.74518	1.2
63.34385	1.3
70.83596	2.8
71.01396	6.9
72.01709	1.6
72.99312	2.6
73.01184	12.5
73.02959	2.5
83.01376	6.7
84.01701	2.8
84.02194	1.9
85.02959	100.0
86.03295	36.9
87.03371	2.2
99.00931	1.6
101.02454	6.7
102.02756	1.3
105.41776	1.4
111.00896	18.2
112.01228	9.5
120.99695	2.1
121.02972	15.0
122.02499	1.9
122.03291	11.5
123.04538	2.9
129.01949	37.2
130.02293	20.8
138.09915	1.3
161.02824	2.6
162.04922	1.7
165.05577	1.9
167.03520	1.7
167.07115	1.7
205.03532	7.9
206.03905	10.6
266.07721	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	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13912	0.6
59.01384	44.0
60.01719	0.6
61.98850	0.8
74.99389	0.9
84.95110	0.6
87.00868	1.2
98.19922	1.2
105.15758	0.7
115.02527	1.9
117.00468	5.9
122.39257	0.6
125.00934	0.9
126.98888	1.7
143.02025	3.7
157.03519	0.9
159.01511	62.4
160.01674	4.9
165.09422	0.7
168.99947	3.5
170.97878	10.0
171.97942	0.7
187.00995	100.0
188.00566	14.3
201.02557	13.6
232.98300	1.4
271.87115	0.7
274.99344	4.8
287.01126	0.7
311.01080	1.2
328.96869	1.3
329.02139	2.5
329.06799	0.7
329.17667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0305
Annotation	Kermesic Acid
Peak:m/z	Relative Intensity
56.62648	0.6
62.13182	0.5
63.02396	2.0
65.00330	4.2
69.22488	2.7
69.22911	2.6
77.48315	0.6
78.61913	0.6
83.01393	3.0
97.19949	0.6
98.20691	1.1
105.03495	0.8
107.01406	8.2
120.26620	0.5
121.02962	1.2
133.02965	41.4
134.03360	1.4
143.04988	1.0
149.02467	6.2
151.00381	17.3
152.00713	0.7
157.06604	0.8
171.04510	1.5
173.02414	0.7
173.06146	0.6
175.04016	10.4
185.06114	1.1
197.06174	1.0
198.03255	1.2
199.04021	6.5
201.01999	3.5
211.03963	1.0
213.05618	1.5
215.03474	1.3
217.05045	4.3
223.03963	1.2
225.20807	0.6
240.04305	0.7
241.05016	3.0
243.03021	2.3
257.04575	1.9
285.04071	92.3
286.04422	9.7
300.67380	0.7
329.03049	100.0
330.03430	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	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01386	2.5
70.87097	1.1
70.87429	0.7
71.01393	7.2
73.02965	2.8
75.00901	0.6
83.01419	0.9
85.02972	5.3
86.03304	1.1
89.00404	0.6
89.02462	1.1
89.48000	0.6
92.49840	0.6
98.45937	0.6
101.02457	4.8
108.02186	1.6
109.02945	1.7
113.02457	4.0
121.02947	1.5
122.03754	100.0
123.04636	11.2
128.03558	2.4
129.03900	1.3
135.04578	1.3
137.02461	1.3
137.06056	1.0
143.03520	1.3
147.04561	0.9
159.02974	1.5
160.16037	0.7
161.04568	10.3
165.05565	5.9
167.03497	2.1
177.05586	2.1
182.55440	0.6
183.72450	0.7
191.05556	0.7
199.10873	1.2
200.11214	1.9
205.74968	0.6
249.80714	0.5
262.48087	0.7
280.03772	0.6
285.09802	2.1
311.14554	0.8
329.08817	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01395	0.7
69.54509	3.1
71.01394	0.9
85.02969	1.2
91.86439	0.4
108.02186	62.5
109.02460	1.0
123.00959	0.6
123.04545	21.7
124.04852	0.9
128.03499	0.5
152.01170	41.0
153.01489	1.4
155.77721	0.4
167.03513	100.0
168.03857	5.3
329.08957	0.9
329.12671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1146
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
54.51359	0.6
59.01395	1.7
61.02805	0.7
63.56716	0.6
70.30396	2.1
78.08121	0.6
78.81903	0.6
82.02989	10.4
93.03468	0.8
98.20001	0.9
106.00561	0.6
106.06649	10.0
108.04576	1.8
110.02491	2.3
122.06157	2.1
132.03557	1.1
132.04565	31.6
133.05432	3.0
134.06139	41.4
135.04558	0.7
135.06479	1.1
136.04051	3.1
148.04048	1.2
149.02434	4.2
149.04886	3.2
150.05592	0.9
160.04063	20.6
160.05392	1.3
161.04839	42.4
161.50223	0.7
162.05621	94.0
163.05951	6.9
164.07098	0.7
173.04695	0.7
174.05688	0.7
176.03542	4.1
186.05489	1.0
186.09224	0.9
191.05560	1.2
193.03818	53.0
193.44356	0.6
194.04335	3.8
200.10867	0.7
206.04604	1.2
212.07242	6.2
213.07922	2.7
214.08797	6.6
226.08768	2.8
227.08276	0.9
239.05704	0.7
240.10323	1.5
241.06212	7.8
242.06708	1.0
242.11887	5.9
243.11295	4.0
255.07646	1.8
257.09314	12.5
258.09650	0.9
267.11371	1.3
268.09698	3.3
269.09323	7.8
270.09692	0.8
285.12479	81.0
286.12781	7.0
311.10446	10.6
312.10712	1.4
314.11679	1.2
329.11417	100.0
330.11774	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	329.1396
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
59.01384	2.1
59.49932	1.0
63.02381	1.1
75.95608	0.8
83.01421	1.7
83.58386	0.9
85.02997	1.0
93.03465	2.2
93.82151	0.9
107.01380	3.0
111.00868	1.7
115.05583	1.2
121.02323	0.9
121.02991	11.1
122.03726	3.6
123.00898	2.2
123.04560	2.1
124.01675	1.9
131.05034	2.7
133.02982	11.0
135.04460	1.1
136.01694	1.2
136.05299	2.7
137.02425	2.6
137.06088	2.3
138.03291	1.1
141.09245	1.8
143.05031	3.1
145.02953	1.5
146.03728	1.1
147.04536	7.8
149.02469	6.0
149.05984	1.1
150.03253	13.3
151.00383	5.6
151.03912	1.8
153.05504	1.6
158.02568	1.0
158.03754	11.9
159.04550	34.8
160.05325	89.4
161.06094	35.3
162.06491	2.4
163.04031	12.9
164.04811	15.2
171.10294	2.3
173.06058	11.2
175.04002	3.3
175.07657	65.1
176.04756	1.2
176.07983	4.3
177.05588	17.7
178.06386	19.3
191.07224	0.9
192.07903	1.6
193.08739	7.1
194.09087	1.0
199.04033	2.0
225.09451	1.1
244.22923	0.9
269.07153	4.4
285.04068	27.9
286.04327	1.5
286.49658	0.9
314.11728	1.7
329.03101	24.4
329.13928	100.0
330.03186	2.6
330.14264	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	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10518	0.4
54.35359	0.4
57.03449	0.6
58.00585	1.3
59.01379	2.5
73.02972	0.6
84.02192	0.6
99.08147	1.2
108.53826	0.4
121.10219	0.8
121.37553	0.5
123.08126	0.5
125.09736	4.0
127.11308	9.1
129.09204	0.8
133.02994	0.5
137.09746	1.1
139.11298	6.0
140.11641	0.5
155.10815	3.3
157.12318	0.7
159.97572	0.4
164.55516	0.4
165.09195	1.4
167.03513	0.4
171.10283	38.2
172.10640	1.9
183.10376	0.9
185.11853	1.3
199.09749	1.3
199.13408	0.7
201.11328	24.1
202.11703	1.2
211.13393	1.7
212.23607	0.4
213.11255	0.5
229.14516	0.6
249.83611	0.5
251.14523	0.4
259.10104	0.4
275.20233	1.8
285.03952	1.0
293.21259	2.6
311.22391	3.0
329.23337	100.0
330.23676	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	329.2338
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03443	0.7
58.00602	1.2
59.01385	1.1
70.11138	0.9
84.02101	0.4
84.11596	0.3
88.55359	0.4
98.19995	0.7
104.03093	0.4
123.08195	0.6
125.09746	4.9
127.10361	0.8
127.11305	10.9
128.11597	0.6
137.09727	1.2
139.11308	6.3
153.09230	0.5
155.10812	4.9
156.11092	0.6
157.12360	0.7
165.09215	2.0
171.10287	35.4
172.10577	2.4
183.10327	0.9
185.11911	0.7
199.09778	1.6
201.11342	36.2
202.11726	2.4
275.20267	1.3
293.21286	3.1
311.22302	2.0
329.23352	100.0
330.20016	0.8
330.23715	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	329.2336
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
56.98701	0.5
57.03449	0.7
58.59826	0.6
64.58083	0.5
68.53671	0.4
70.99567	1.3
81.59122	0.5
98.02869	0.5
99.08170	3.2
125.09763	1.2
127.11291	1.8
139.11322	0.9
167.14464	0.7
171.10312	4.5
183.13904	3.4
193.12376	1.1
207.96323	0.6
208.56398	0.6
209.11819	0.7
211.13414	21.4
212.13754	1.4
229.14453	11.5
230.14877	0.7
306.75281	0.5
315.36136	0.6
329.23364	100.0
330.23691	8.0
342.67899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0676
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01385	1.8
67.02956	0.8
69.03453	2.5
71.01390	1.4
71.53199	1.1
74.02476	1.6
74.30486	0.7
74.99101	3.7
78.95911	1.3
81.03464	1.5
83.01391	2.7
85.02969	0.9
95.01421	1.0
95.90845	0.8
96.95988	1.5
97.02948	3.1
108.02207	1.0
116.07205	1.6
117.93801	2.1
121.02998	1.2
123.00900	4.9
124.01681	17.1
125.02463	64.3
126.02788	1.7
128.03555	1.3
136.99141	2.4
137.02454	1.1
138.38312	0.9
149.99608	25.0
151.00430	4.8
152.91768	1.1
153.01941	3.5
163.70494	0.9
165.01912	1.7
167.03476	3.2
168.00664	61.1
169.01447	9.2
169.03877	0.9
170.01674	1.0
186.25645	0.8
187.94292	1.2
191.05551	1.1
195.06633	3.1
201.95903	13.2
211.02615	1.3
287.04858	8.8
288.05408	1.1
313.05740	7.4
331.06741	100.0
332.07016	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	331.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.4
55.01882	4.8
57.03455	13.2
58.00600	0.9
59.01384	17.9
65.63701	0.4
67.01881	1.1
68.99828	0.5
69.03463	3.6
71.01388	87.5
71.05022	1.5
71.54587	0.6
72.01722	1.4
72.99316	1.6
73.02952	16.4
81.03483	1.0
81.07092	2.1
83.01385	7.7
83.05048	0.9
83.27572	0.4
84.02148	2.0
85.02959	68.9
86.00110	1.2
86.03317	1.8
87.00892	4.9
87.04517	5.4
89.02453	8.6
93.03477	1.3
95.01395	22.6
96.96015	1.4
97.02946	1.5
97.06575	0.9
98.95624	0.4
99.00889	8.0
99.04524	1.1
101.02451	19.0
101.06089	1.5
102.02854	0.4
104.03551	0.4
109.06605	0.7
111.00902	0.7
111.04530	0.6
112.01683	0.6
113.02458	100.0
114.02786	2.3
115.07684	0.8
119.03543	0.8
121.06569	0.4
124.01659	0.6
125.02489	2.2
129.01974	0.8
130.08762	1.1
131.03491	0.6
135.04512	0.5
135.08228	0.4
139.00389	1.4
141.09242	0.5
143.03506	2.3
161.02515	1.0
161.04576	6.0
170.08270	0.7
173.04526	0.9
185.11826	3.4
187.13406	38.7
188.13722	2.1
191.05750	0.9
205.03506	0.8
243.06834	0.5
250.56956	0.8
331.08670	0.6
331.13544	0.9
331.17612	11.0
332.17822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21042	0.7
59.01371	1.4
61.98824	0.9
63.46142	0.8
69.62469	4.8
71.01387	17.4
74.05213	0.8
75.49367	0.6
85.02965	1.7
97.02978	0.9
113.06123	0.8
125.09698	1.2
125.99400	3.7
138.97064	0.8
141.09212	7.8
149.06122	1.1
155.10764	1.0
165.01698	6.8
171.10349	0.9
181.08493	2.2
183.10043	2.4
190.82907	0.8
191.07019	1.2
193.04906	0.8
193.08479	16.2
194.08817	1.9
197.07935	1.9
198.22722	0.6
205.08479	0.8
209.07936	6.7
214.10342	0.8
221.07959	5.8
222.08743	100.0
223.09506	49.1
224.09883	3.1
225.07481	2.0
227.09129	2.5
228.09421	0.8
235.29265	0.7
241.06973	1.0
254.07729	11.2
261.11002	0.8
262.11874	1.0
301.17841	1.3
303.19373	2.8
313.17862	3.8
331.18921	32.2
332.19354	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56403	0.5
61.33741	0.5
71.01399	0.8
73.15652	0.5
73.18098	0.5
78.03471	0.8
80.05059	1.0
89.08237	0.5
92.05045	2.8
94.06625	4.6
100.89402	0.6
104.05055	3.2
105.03458	3.3
106.06635	13.8
107.06921	1.2
108.04559	1.4
120.04544	5.9
121.05344	1.9
122.02470	0.7
122.06135	15.4
123.03271	2.7
123.06638	0.7
125.09700	0.6
131.03764	0.7
132.04565	7.9
138.05621	24.4
138.58716	0.5
139.05936	1.4
150.05667	2.8
151.05922	0.6
161.02446	0.6
166.05121	0.8
172.07680	0.6
173.04498	1.0
173.08565	0.7
189.07951	1.6
202.12222	0.6
213.06747	0.9
215.11858	2.2
217.07463	1.6
226.07428	0.6
229.09830	1.0
231.09120	1.1
231.11342	0.9
241.09834	3.5
242.10086	0.5
243.11412	1.8
253.10004	0.5
271.10800	0.8
289.11957	100.0
290.12274	10.2
300.95099	0.6
333.10901	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	333.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03443	1.1
59.01383	7.1
59.24046	0.8
61.98820	1.2
64.36278	0.7
69.40676	5.0
70.37491	0.7
70.77346	0.6
71.01392	5.6
72.99311	3.4
73.02963	2.1
74.81868	0.8
75.04452	0.7
78.03516	0.9
80.05064	2.6
81.03461	2.9
83.01378	1.2
85.02964	6.1
87.00896	2.5
88.98752	0.7
89.02461	1.1
92.05061	1.7
93.03462	2.2
94.06631	3.8
98.19955	1.7
99.00913	3.7
101.02457	6.3
102.02751	0.7
104.05070	3.5
105.03465	2.9
106.06638	12.0
107.03783	0.8
108.04565	0.9
111.00923	0.7
113.02453	4.4
117.01955	0.9
119.39319	0.8
120.04573	5.3
121.05327	2.4
122.06129	15.0
123.03240	1.3
125.02475	12.2
126.02787	1.0
129.01929	3.8
131.03741	1.0
132.04572	7.9
135.04523	3.2
136.04890	1.1
138.05629	21.2
143.03496	2.0
148.59103	0.7
150.05614	2.9
152.07135	1.2
161.02388	0.9
161.04572	1.8
166.05090	1.1
167.03375	0.6
173.04581	0.8
176.04105	1.0
176.54173	1.4
179.03490	1.6
189.07964	1.8
191.05612	3.3
192.05931	1.2
205.03539	13.1
207.10612	0.7
213.06898	1.1
215.11887	1.7
217.07486	2.0
223.04610	7.0
231.08981	1.2
241.09807	2.9
242.10226	0.7
243.11243	1.5
289.11966	100.0
290.12277	9.1
311.07645	0.8
333.06198	3.7
333.10880	9.6
333.15524	7.4
333.19308	1.6
334.11456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33782	1.3
55.01871	2.5
57.03458	18.1
59.01374	5.7
67.01862	1.3
71.01394	9.4
73.02961	2.5
75.00874	3.2
83.01398	12.9
84.02176	1.9
85.02960	100.0
86.03310	1.9
93.03465	1.6
101.02475	8.7
101.45046	1.3
106.43219	1.3
111.00175	2.7
111.00898	36.8
127.07690	2.6
129.01961	38.1
132.72858	1.5
135.04547	3.3
135.45375	1.3
161.04553	2.4
171.10286	4.5
173.04385	1.2
176.04010	9.8
179.03500	3.1
187.02423	1.8
205.03534	29.5
214.95979	1.4
223.04617	60.6
224.05051	3.0
225.11317	3.3
289.11917	1.4
311.41196	1.4
333.11215	1.7
334.17389	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	335.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91627	1.1
54.45145	1.0
55.01883	3.0
56.09830	1.0
57.03453	20.3
59.01377	5.6
67.01883	1.2
71.01395	10.0
71.52807	1.2
72.99313	1.6
73.02974	3.4
83.01402	10.2
84.02185	2.5
85.02962	100.0
86.03281	2.1
87.00870	1.5
87.51363	1.2
93.03468	3.0
99.00894	1.8
101.02467	5.5
102.05641	1.7
110.99726	1.2
111.00172	2.0
111.00897	31.7
128.03537	4.0
129.01958	46.6
129.05603	9.4
130.02269	1.4
137.02434	6.2
138.01959	5.5
144.04553	5.1
146.04628	1.3
161.04544	4.2
173.32770	1.2
187.02510	1.7
191.05650	3.1
205.03552	23.9
223.04637	7.9
273.08600	1.4
300.13672	1.2
317.07690	1.9
335.09372	3.1
335.13239	1.9
336.13110	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	335.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99899	1.3
55.01892	3.8
57.03452	19.2
59.01382	12.5
59.96778	1.0
67.23787	1.2
69.54638	9.0
71.01382	11.0
72.99289	2.2
73.02931	2.4
75.00888	1.4
83.01390	9.7
83.45967	1.4
84.02165	1.8
85.02959	100.0
86.03290	2.1
89.02463	4.0
89.18888	1.7
96.96007	6.2
99.00876	1.7
100.07700	2.0
101.02447	8.9
102.05599	8.4
102.51342	1.3
111.00882	28.1
113.02399	1.4
120.99660	1.4
121.02959	2.0
128.03574	13.9
129.01955	41.6
129.05588	9.1
130.02249	1.6
137.02406	1.5
138.02013	2.2
144.04556	10.1
144.06662	3.4
146.04617	4.1
151.02333	1.2
161.04526	3.3
170.04539	1.8
187.02548	2.2
187.05128	1.8
188.03468	1.4
188.05664	5.6
195.80177	1.4
205.03555	23.2
206.03891	1.6
223.04652	6.8
273.08972	4.3
317.07709	4.1
335.05014	1.7
335.09329	5.2
335.13437	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	335.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86960	0.8
55.01885	5.1
56.40615	0.8
57.03455	19.5
59.01375	1.5
60.29591	0.7
60.41243	0.8
67.01891	1.7
67.52060	0.8
68.99855	1.0
69.23943	6.8
71.01384	6.7
72.99303	1.2
73.02960	2.2
75.00869	1.2
77.60178	0.8
83.01403	9.6
84.02170	2.5
85.02959	100.0
86.03300	1.8
89.71092	0.8
101.02454	5.1
111.00895	35.6
112.01228	1.1
129.01956	47.7
129.08330	1.2
129.09236	16.1
149.29410	0.8
156.59758	0.8
161.04575	2.1
177.04033	0.9
187.02521	1.5
197.11783	1.2
205.03560	23.6
223.04630	4.9
245.27614	0.9
291.12436	0.9
295.36218	0.8
335.13513	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	335.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51099	0.5
55.01884	4.6
57.03456	21.0
58.03807	0.7
59.01379	1.9
60.14330	0.7
67.01898	1.9
68.99821	0.7
69.50278	2.0
69.50682	1.6
71.01391	7.1
72.99311	2.0
73.02957	2.2
75.00868	1.3
79.46154	0.5
83.01403	11.3
84.02174	2.8
85.02960	100.0
86.03270	2.8
88.96351	0.5
98.19870	0.7
99.00883	1.1
101.02451	6.1
111.00897	33.6
112.01239	1.3
127.22723	0.6
129.01965	39.9
129.09236	13.7
129.10207	0.8
130.02290	0.8
130.09575	0.9
135.04564	1.3
159.03012	0.8
161.02411	1.6
161.04584	2.9
173.04610	0.8
179.03427	0.7
187.02519	1.2
190.34274	0.6
205.03548	23.1
206.03929	0.8
223.04636	3.9
291.95883	0.6
335.07727	1.8
335.13531	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	335.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07422	2.9
59.01384	67.4
71.53712	4.9
80.99168	2.9
93.50167	2.9
99.00649	12.1
149.90276	3.0
154.75534	3.0
166.54152	2.9
179.75946	3.2
186.12669	3.4
253.21748	100.0
254.21992	13.1
326.44080	3.4
335.22046	84.0
336.22461	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	337.0932
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
54.59364	0.3
58.00576	0.3
58.68658	0.2
59.01382	2.2
60.99313	0.4
61.40591	0.2
67.01892	0.9
69.03443	0.3
71.01386	1.3
74.72026	0.2
81.03476	0.4
83.05045	0.4
85.02959	6.7
87.00877	2.1
89.02458	0.4
93.03470	6.1
93.34825	0.2
98.20776	0.5
99.04512	0.3
101.02465	0.4
109.02966	0.4
111.04522	1.1
113.02457	0.5
119.03548	0.3
119.05040	1.7
127.04043	1.6
145.02963	0.9
154.99030	0.3
158.95995	0.2
163.04027	1.9
171.03093	0.5
173.04611	1.9
191.05638	100.0
192.05978	5.9
223.00568	0.3
246.98178	0.2
311.59967	0.3
326.11267	0.3
337.09204	2.2
337.15051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03450	0.7
59.01384	27.6
69.09598	0.6
71.01392	5.2
72.99293	1.7
73.02950	3.0
81.03461	2.1
84.04552	0.9
85.02951	8.9
87.00889	2.3
89.02460	2.5
93.03448	6.1
95.01405	0.7
96.96016	4.9
99.00896	1.0
101.02451	3.9
111.00909	1.1
111.04541	2.6
113.02457	1.6
113.07218	2.7
119.05038	56.7
120.05386	2.8
121.38445	0.9
125.02456	2.7
127.04008	1.3
129.02014	1.2
130.98349	0.7
132.04568	2.3
135.04616	0.7
143.03523	0.9
155.03471	2.7
157.08665	0.9
161.02388	1.0
161.04593	2.2
162.03252	5.8
163.04022	100.0
164.04326	5.7
173.04550	5.8
176.03609	1.7
177.05617	8.5
178.05881	0.9
181.09863	2.3
191.05623	46.8
192.05959	2.3
205.03555	6.0
213.41016	0.7
252.17226	2.3
272.77231	0.7
337.09546	5.5
337.14847	4.1
338.17267	5.1
348.09692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	3.2
70.65762	0.9
71.01379	0.6
82.87859	0.6
96.96019	0.8
104.08322	0.5
163.67261	0.5
190.71684	0.5
207.08173	2.4
221.09720	4.4
222.10519	5.0
223.07613	0.6
223.11250	0.7
235.07663	2.8
236.08324	0.7
237.12904	0.8
242.74788	0.5
248.08424	1.1
249.09196	13.4
250.09985	11.6
254.85611	0.9
263.10715	4.3
263.16553	0.6
264.11224	1.3
265.12344	100.0
266.12680	11.7
282.08963	0.6
293.11850	30.0
294.12317	3.4
300.64349	0.6
337.10889	6.1
338.10837	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	337.1083
Annotation	5-formylporphyrin
Peak:m/z	Relative Intensity
58.33334	1.0
59.01395	5.9
59.01651	0.9
70.04159	2.9
71.01405	0.9
76.45586	1.0
78.09159	0.9
99.57888	1.0
119.08088	1.1
168.04749	1.0
206.07382	8.3
219.08257	1.6
220.08926	2.2
221.09711	4.5
234.06894	4.5
235.07556	1.7
247.07689	1.5
248.08434	7.5
249.09203	24.2
250.09938	12.3
251.10684	4.7
255.23372	1.7
276.08002	1.1
277.08710	10.7
278.09323	4.0
279.10065	2.6
294.09052	1.6
307.34946	1.3
309.11349	100.0
310.11752	10.9
337.10846	28.5
338.11133	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.6
71.54929	0.5
73.12690	0.5
77.04701	0.4
96.96001	1.0
107.05028	0.4
107.92229	0.4
109.06590	0.6
111.00935	0.4
112.81443	0.4
135.04523	0.7
173.04541	0.5
175.04008	0.5
175.71678	0.4
184.51880	0.5
191.05510	0.7
201.11307	0.6
235.07684	7.5
236.07942	0.7
248.08376	1.3
248.49336	0.4
249.09262	2.7
250.10019	18.8
251.10339	1.4
261.09247	0.6
262.10022	1.4
263.10751	6.3
264.11563	31.7
265.12335	100.0
266.12704	10.2
284.03183	0.8
291.10428	0.5
291.81711	0.4
293.11871	27.0
294.12119	2.5
299.05576	0.5
301.14499	0.7
319.15509	1.6
337.07428	0.8
337.10837	11.4
337.16687	1.0
338.11148	1.2
339.11475	0.5
341.88773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	54.7
59.01386	100.0
59.12561	1.3
70.08506	4.9
71.01398	15.3
72.04125	1.4
72.99323	1.8
73.02942	5.6
75.00887	1.5
83.01369	4.4
85.02958	25.8
85.06547	1.8
87.04514	4.4
88.04037	3.7
89.02462	7.0
93.65017	1.5
95.01348	1.7
96.96024	36.8
97.68640	1.4
98.20555	2.2
99.00906	3.1
99.04526	35.8
99.92645	1.5
101.02451	24.1
102.10479	1.4
108.10492	1.3
108.99054	1.3
111.00868	6.0
113.02449	6.7
116.92884	1.7
119.03506	3.1
119.05035	2.0
121.79449	1.5
125.01817	1.2
125.02482	11.3
129.01958	9.1
131.07117	2.0
138.01880	2.1
148.97818	1.4
161.04532	5.2
163.04037	2.4
164.73409	1.4
175.09831	3.5
191.05608	2.5
193.07184	27.9
205.03551	7.1
218.10376	2.5
223.04558	5.0
235.10640	1.8
256.08301	4.1
257.12589	1.5
277.12872	2.4
279.10968	1.7
285.00525	1.6
295.14044	3.7
301.11588	1.7
319.12967	1.7
327.04053	1.6
337.11227	5.4
337.14957	8.6
338.05032	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	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.4
57.03454	22.5
59.01388	20.9
64.54434	1.2
70.90545	2.3
70.90884	2.5
71.01397	10.7
72.01695	1.2
72.99310	3.0
73.02959	2.9
75.00873	3.6
78.95918	2.4
80.01846	1.3
83.01392	11.4
84.02172	3.2
85.02958	100.0
85.06592	4.4
86.03298	2.8
87.00877	2.5
89.02453	3.4
93.03451	2.0
94.04681	1.1
96.96008	4.2
99.04521	5.6
99.32825	1.2
101.02454	10.6
108.04987	1.2
110.75337	1.0
111.00893	31.6
113.02443	1.7
119.05032	3.2
120.99677	2.0
125.02422	2.2
128.03548	1.2
129.01955	45.8
131.07159	10.6
136.44582	1.2
137.02473	1.5
138.01933	2.2
139.04033	2.7
161.04536	5.0
163.03999	5.2
173.04524	1.5
187.02440	2.3
191.05731	1.6
193.07141	2.8
199.09724	2.3
205.03537	22.3
223.04538	8.0
235.10669	2.6
300.66904	1.3
337.07611	2.1
337.11230	4.1
337.14951	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	337.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	32.7
67.01891	8.8
69.39594	17.6
69.40002	35.6
71.01355	6.5
85.02986	8.7
92.47671	7.9
92.86146	6.8
93.03480	38.8
93.06246	6.8
93.82323	6.3
96.00902	8.9
100.73151	6.5
104.31593	6.4
107.89867	6.4
117.51660	5.8
119.05041	22.5
132.44289	6.7
133.03041	7.8
137.02408	7.2
161.02496	7.3
163.04013	18.4
173.04558	100.0
177.05632	10.6
191.05627	17.4
204.26173	6.8
208.65170	6.9
226.21988	6.7
241.95558	6.9
250.06340	10.6
291.62057	7.2
292.58835	6.5
293.20969	8.3
298.20660	7.2
329.77820	6.8
337.07413	14.7
337.20425	12.9
359.15494	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16476	4.7
57.03454	10.8
59.01382	40.2
60.77294	4.6
69.03456	14.7
69.25755	4.3
71.01383	10.6
71.05014	19.4
71.54722	7.1
80.02668	4.6
81.03468	54.3
83.05037	30.7
85.02958	10.5
87.00856	4.9
93.03485	5.5
95.05034	16.8
97.02982	22.8
97.06607	9.6
99.04529	100.0
101.02450	6.3
107.05070	5.7
108.02185	22.4
109.02959	10.7
109.06607	8.9
111.04530	13.0
121.02948	26.0
121.06609	12.2
122.03805	26.0
123.04530	12.6
125.09707	10.5
127.04005	6.5
131.04997	5.7
134.03777	6.1
137.06102	21.8
139.07655	5.4
139.11273	11.6
149.06096	31.6
155.10777	7.0
160.05284	6.0
167.07141	17.2
171.10297	69.1
171.66708	4.8
177.12909	10.9
178.06427	27.8
187.07611	7.7
191.14363	11.4
193.07137	7.0
193.12398	25.7
199.13425	14.2
203.10735	7.2
205.12282	6.8
209.11858	5.3
209.15402	7.3
211.13464	5.1
224.04716	6.3
225.09241	11.1
235.13419	61.2
236.13680	8.1
241.16011	6.0
247.13530	6.6
249.11269	16.2
250.12125	17.2
252.04405	6.0
253.14444	91.6
254.14877	9.3
263.13013	5.4
265.14417	12.2
280.03830	12.0
280.28162	4.4
285.14957	8.0
295.06015	9.1
295.17084	6.0
303.16013	32.1
321.17090	54.4
324.02640	7.5
336.44250	4.6
339.04984	5.7
339.08810	10.0
339.16022	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.03409	0.4
52.27610	0.4
52.49218	0.4
65.74380	0.3
98.20811	0.7
147.08109	0.4
149.84235	0.4
163.11302	100.0
164.11626	5.2
176.20364	0.4
185.33955	0.4
213.59378	0.3
229.05341	0.4
339.23294	61.7
340.23615	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	341.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
58.99612	34.7
59.01386	11.4
70.36262	0.9
70.36652	0.8
71.01389	9.2
71.05039	0.6
72.99327	0.7
73.01203	0.4
74.99107	6.7
81.03470	1.6
83.01382	0.7
83.05020	1.1
85.02969	1.3
87.00887	2.0
87.02745	5.1
89.02457	10.1
93.03464	2.0
95.01431	0.5
97.03968	0.3
98.26863	0.3
99.19486	0.5
101.02464	4.5
102.98610	100.0
103.02235	3.1
103.98934	1.3
110.03764	0.5
111.04527	3.5
113.02480	2.6
119.03515	3.7
119.05066	0.5
120.99749	0.4
121.02972	12.6
122.03303	0.6
125.09715	0.4
131.03539	0.4
133.02950	0.5
135.04480	0.6
139.07605	0.6
143.03546	0.7
147.01241	1.7
149.02797	41.3
150.03143	1.3
151.07655	2.0
155.03586	0.4
161.02426	1.4
161.04570	0.7
162.02867	0.4
169.08720	1.2
171.10257	3.1
173.04564	1.1
175.04355	2.7
179.05605	3.7
189.05531	0.5
191.03859	3.8
201.11317	0.6
208.19275	0.4
213.11336	0.8
215.56940	0.4
219.03351	6.1
262.84842	0.5
269.04727	0.4
269.08237	0.5
296.06772	0.4
336.08014	0.4
340.65408	0.4
341.06992	9.9
341.10898	4.9
341.19699	1.2
342.07318	1.3
345.22424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
58.00595	1.0
58.99593	0.7
59.01385	26.3
69.67443	2.0
69.67850	1.5
71.01389	19.6
72.99312	1.2
73.01177	2.4
77.95448	0.6
85.02954	3.3
87.00888	2.6
87.02746	100.0
88.03086	1.9
89.02452	23.1
93.03452	0.6
95.01383	0.9
101.02454	8.1
102.98607	3.6
110.18441	0.7
112.50056	0.5
113.02466	8.3
119.03528	8.2
120.99667	16.8
121.02966	8.4
131.01743	1.7
131.03539	1.5
137.00638	0.8
137.02480	0.7
143.03522	2.4
149.04523	0.6
161.02527	2.3
161.04576	2.0
172.90720	0.7
175.04356	17.4
179.05617	6.9
191.05652	0.8
195.08340	0.8
209.11874	1.5
211.07753	1.3
219.03339	2.8
224.08348	0.9
225.09248	1.2
236.08475	3.5
237.05551	0.6
239.07188	2.4
249.05573	0.7
249.11156	1.7
250.09947	1.2
251.10800	5.7
252.11208	1.3
253.08733	0.9
267.06641	8.4
269.11841	12.9
281.08148	1.0
282.08997	2.1
283.02600	0.7
297.11349	8.2
311.05692	1.2
323.09467	0.7
326.04675	0.8
326.07974	3.6
327.08646	0.7
341.06897	4.0
341.10657	17.1
342.10898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
58.00601	1.5
59.01387	39.8
60.99302	0.7
67.01905	5.3
67.96402	0.5
69.03455	0.8
69.36665	4.5
71.01390	27.4
72.01722	0.8
72.99342	1.4
83.01397	1.1
83.05087	0.9
85.02941	4.7
87.00882	1.8
89.02454	29.9
90.02798	0.6
91.01913	3.4
93.03468	26.6
94.03867	0.8
94.96223	0.6
95.01381	1.9
101.02452	11.6
102.02821	0.8
106.56958	0.6
108.02193	1.2
111.00870	0.9
111.04533	4.8
113.02461	8.9
119.03511	11.1
123.04543	8.4
127.04050	0.9
128.03531	0.8
131.03529	1.7
135.04527	5.3
137.02460	4.4
138.02823	0.6
143.03490	3.9
149.04570	1.8
152.01239	0.9
155.03531	4.2
161.02435	0.7
161.04564	3.3
167.03511	16.0
168.03848	0.9
173.04565	100.0
174.04907	4.8
179.03543	2.4
179.05620	11.1
179.07053	1.1
191.05595	1.4
247.09164	0.6
268.24170	0.6
302.32169	0.7
304.47864	0.7
341.11295	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	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03458	13.2
57.27395	1.7
58.00589	2.7
59.01388	100.0
71.01392	75.7
72.99316	4.4
73.02949	3.6
78.11736	1.5
78.95911	13.7
80.87886	1.6
83.01395	8.7
84.02195	2.3
85.02961	67.6
87.00887	5.7
89.02454	80.3
91.05563	2.0
93.03484	2.3
95.01401	3.8
96.96984	30.8
98.19910	5.6
101.02463	39.1
111.00903	25.3
113.02463	26.2
113.26012	1.5
119.03517	25.3
129.01964	23.7
131.03535	4.4
135.04532	5.4
137.02426	1.7
139.90610	1.6
143.03519	8.9
149.04555	2.7
156.29333	1.8
161.02451	2.0
161.04601	11.4
173.04495	2.0
179.03458	2.3
179.05632	29.5
187.02606	2.6
200.28947	1.8
205.03548	21.0
205.05403	2.4
223.04628	51.3
224.04826	2.1
229.27188	2.1
236.39212	1.6
341.10892	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	341.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21616	0.7
56.24746	0.7
59.01384	30.6
60.96901	0.8
71.01016	1.5
71.01387	20.6
72.18833	0.8
72.99310	0.8
73.02951	0.9
83.01399	1.0
85.02949	3.6
87.00890	1.9
87.02746	46.2
88.03101	0.9
89.02450	27.8
93.03447	1.6
95.01393	1.4
98.20689	1.6
101.02448	9.5
102.98602	2.5
113.02461	8.1
119.03513	10.1
120.99681	6.8
121.02948	4.3
131.03491	1.6
133.02928	0.7
135.04555	1.4
137.00676	0.7
143.03494	2.5
149.04530	1.0
161.02419	1.7
161.04541	2.5
173.04544	0.9
175.04395	7.1
179.05617	9.3
188.06691	0.8
196.24989	0.8
209.11807	1.4
210.06915	0.8
211.07544	1.5
219.03273	1.7
221.06108	1.8
223.07616	2.0
224.08492	4.7
225.09167	8.5
226.09540	1.2
231.38606	0.7
235.07597	1.6
236.08441	23.9
237.08714	2.3
239.07092	1.9
249.09180	3.4
249.11183	2.9
250.09967	12.0
251.10770	46.5
252.11057	5.1
253.08681	3.0
254.09288	1.1
266.05847	1.2
267.06592	9.6
267.09354	1.0
267.10660	0.9
268.06958	1.0
269.11841	100.0
270.12201	11.6
272.69684	0.7
282.08939	2.5
286.58456	0.8
294.05334	1.3
297.11331	46.1
298.11578	4.1
298.19754	0.8
305.17642	1.4
311.05698	1.2
326.07913	2.5
341.06909	1.2
341.10480	30.9
342.10840	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	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21217	0.5
55.01877	1.2
57.03447	1.3
58.00599	3.7
59.01385	100.0
60.01715	1.7
61.92393	0.6
65.27129	0.5
69.44305	3.7
71.01389	62.9
72.01736	1.1
72.99308	3.2
73.02947	1.7
83.01389	2.0
85.02962	10.2
87.00880	4.2
89.02454	75.3
90.02811	1.3
95.01386	4.2
96.91819	0.5
101.02453	28.9
107.03526	0.6
107.59424	0.5
113.02457	24.2
114.02773	0.9
119.03516	27.5
120.03812	0.5
131.03500	4.0
143.03523	6.8
149.04570	2.3
161.04564	7.5
164.11049	0.6
179.05627	24.6
179.07236	1.2
180.05949	0.9
212.16434	0.6
217.92723	0.6
232.29045	0.6
237.13446	0.5
274.99503	0.7
310.96857	0.6
341.10895	26.5
342.11206	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31206	1.0
55.01887	1.4
58.00591	2.7
59.01384	100.0
59.33304	0.9
60.01726	2.0
60.61203	1.0
61.53146	0.9
65.20419	1.0
70.61407	2.4
71.01389	71.2
72.01705	1.2
72.99306	3.2
75.00892	1.2
83.01416	2.0
85.02950	9.4
87.00875	4.9
89.02450	87.6
95.01396	4.1
100.03259	1.2
101.02454	37.7
107.87315	1.0
113.02453	29.9
119.03513	29.8
131.03490	5.4
143.03526	8.1
145.90491	1.2
149.04555	3.6
161.04561	10.3
166.05894	1.1
179.05609	30.7
180.05962	1.9
260.07510	1.2
341.06824	2.0
341.10916	36.5
342.11212	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	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
58.00592	2.9
59.01385	100.0
60.01709	1.0
70.75773	2.5
71.01388	66.7
72.01727	1.2
72.99321	3.4
73.02941	2.3
82.99969	0.9
83.01397	1.4
85.02961	8.6
87.00877	3.4
89.02452	82.0
90.02745	1.3
95.01382	3.2
99.19637	1.3
101.02455	29.3
113.02462	27.8
114.87653	1.0
119.03520	28.6
125.02478	1.3
131.03506	4.1
143.03520	7.5
149.04576	3.2
161.04613	8.7
162.04742	1.1
179.05630	29.2
180.06454	1.1
341.10913	31.2
342.11212	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	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.7
59.01386	7.7
62.08200	0.6
69.03451	2.3
70.01096	1.1
70.01464	2.1
71.01390	4.6
83.05025	1.9
84.02172	9.2
85.02960	0.6
86.69338	0.6
89.02448	5.2
97.02954	2.5
97.06596	9.8
99.04531	2.4
101.02455	2.0
104.92281	0.6
111.08148	0.6
113.02458	1.7
115.80650	0.6
119.03501	1.4
119.08702	0.8
121.10196	0.7
124.85212	0.5
125.09740	1.7
131.03578	0.7
137.09775	1.1
151.11409	0.7
161.02458	0.9
165.12830	1.0
171.10284	18.2
172.10638	0.8
175.11191	0.8
177.13017	0.7
179.05635	2.1
182.67134	0.5
183.13930	2.5
193.12360	14.5
197.15492	0.7
198.53510	0.6
211.13417	2.5
221.11754	1.1
225.12778	1.3
225.14970	20.8
226.15242	1.3
243.16058	8.2
253.14536	1.0
291.19751	1.7
323.22421	0.7
332.17859	0.6
341.10757	2.5
341.23340	100.0
342.23743	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56190	0.2
59.01386	90.6
60.01714	0.8
65.40795	0.3
70.99685	0.7
78.72431	0.3
84.54352	0.3
95.07204	0.3
122.27216	0.3
157.03574	7.0
158.03738	0.8
159.01495	2.2
181.70834	0.2
201.02571	100.0
202.02728	9.8
299.30920	0.3
343.03806	1.7
344.03809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.6
56.10785	2.3
56.98044	30.5
57.03456	6.3
58.02969	10.1
58.99607	7.7
59.01384	45.2
59.34878	2.5
60.01720	5.0
60.97540	14.7
61.01798	2.4
61.73851	2.4
63.96243	4.6
69.73858	12.2
70.99614	23.8
71.01395	24.3
72.99324	18.4
73.02939	3.4
74.02474	2.7
74.99105	80.9
77.41613	2.2
83.01394	7.4
85.02956	46.9
86.99107	8.3
87.00884	9.6
88.04050	56.4
89.02454	13.5
91.02877	5.4
93.03468	53.7
94.03828	2.6
95.01394	4.0
99.00896	6.5
101.02442	17.6
101.72066	2.5
102.98570	4.2
109.02964	2.5
111.00901	14.6
113.02431	3.5
114.05631	3.0
114.98605	65.1
116.07213	6.3
117.97298	4.1
118.98114	33.5
119.03494	2.3
120.34846	2.6
120.99670	100.0
121.02979	37.4
123.00896	50.5
124.01679	81.3
125.01967	3.5
128.03558	12.7
129.02007	11.8
130.08720	3.2
131.84238	2.3
132.99696	19.2
134.04755	4.0
135.04488	4.0
135.98347	14.6
136.99167	46.4
137.02458	76.9
137.06082	4.3
138.03270	25.8
139.04041	57.5
151.00717	15.9
152.07181	4.7
157.13493	6.6
161.04622	2.2
163.03954	3.9
166.08752	5.0
167.09193	2.9
177.02292	5.9
181.05008	13.1
191.05635	4.1
197.04399	2.6
201.12469	8.2
203.00200	2.7
205.03554	20.6
209.31392	2.4
211.10915	4.3
214.15651	8.7
221.01263	21.4
245.11334	5.7
255.03142	5.4
283.08322	4.0
300.15717	39.6
343.04849	10.5
343.11603	9.5
344.18314	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	343.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08936	1.1
52.76954	1.0
53.33133	1.2
57.39017	1.0
59.01388	10.1
61.98832	1.7
65.05421	1.0
66.86721	1.1
69.03455	1.4
70.46238	1.0
71.01365	1.3
71.33109	0.9
71.54416	1.0
71.54818	1.1
79.95745	3.1
83.05037	1.7
89.02470	1.3
96.96021	8.9
97.06585	2.7
99.08167	4.4
105.73162	1.0
121.06614	1.3
123.08147	2.3
125.09708	9.5
127.11330	1.8
132.15198	1.0
137.09750	1.9
151.11255	1.3
155.10777	1.4
155.85292	1.0
171.10298	5.8
178.95157	1.3
185.11740	1.8
187.09865	1.3
193.12381	7.6
199.09631	1.0
201.02591	3.8
201.11356	14.3
211.13469	2.3
215.12941	1.3
217.01442	2.9
225.14954	9.4
243.12340	1.2
243.16017	5.0
246.05374	3.5
247.07751	3.4
248.08360	1.5
261.09195	4.6
263.10785	100.0
264.11191	11.8
267.11578	1.3
274.01797	1.1
285.03958	1.8
293.21167	2.1
307.18970	1.9
311.10522	2.1
311.33698	1.1
317.56015	1.1
343.06506	29.9
343.24905	47.6
344.06750	3.5
344.25064	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
58.99614	1.9
59.01384	2.9
60.31816	0.4
60.99188	4.4
62.97200	0.4
64.04949	0.3
69.03454	0.7
71.01382	2.1
71.05028	1.1
76.98672	1.1
81.03457	0.6
83.05023	1.8
84.02180	6.2
85.02541	0.3
85.02969	2.9
85.06592	1.5
87.00875	1.0
87.04507	1.6
89.02432	2.1
93.03477	0.8
95.05034	9.2
96.05368	0.4
96.96016	0.6
97.02985	0.5
97.06590	1.2
101.02475	0.6
102.98621	3.1
103.98972	0.6
104.98191	10.9
104.98907	0.7
105.01787	0.8
107.01361	0.6
107.05050	0.5
109.03002	0.4
111.04553	0.8
113.06100	2.3
121.02991	3.0
123.03499	0.5
123.04478	0.5
125.09705	1.1
127.11285	1.3
133.03014	0.4
134.03758	0.4
135.08150	1.0
136.01677	1.3
137.02502	0.9
147.04546	1.3
149.02750	1.7
150.03093	0.8
151.00365	1.0
151.02325	5.3
151.04106	0.8
155.14441	0.7
159.04480	0.7
163.04060	0.4
163.11255	0.6
167.14420	1.1
171.10284	7.9
173.02428	0.5
173.04573	0.5
174.84816	0.4
177.02141	0.4
177.03917	0.7
177.05626	1.0
177.12866	0.7
181.12393	0.5
183.13902	2.2
185.11922	0.5
193.03363	0.6
193.12256	0.9
195.13861	0.4
201.11349	0.5
203.10670	0.6
209.11906	2.0
211.13403	13.0
212.13754	1.1
219.03278	0.4
221.02898	0.8
221.11847	1.6
229.14455	28.6
230.14755	1.6
237.14984	1.6
239.12859	1.4
249.14990	1.8
259.15503	0.8
267.16019	1.0
271.02594	0.4
271.89896	0.4
285.04138	0.6
289.18121	0.8
299.02087	0.9
299.05609	3.3
307.19266	0.8
313.10635	0.7
325.20178	2.9
326.20544	0.5
343.07291	1.3
343.12030	2.7
343.21268	100.0
344.21609	12.2
344.25861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2129
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03458	6.6
57.85889	0.9
59.01387	4.1
59.31670	0.9
69.03453	2.1
69.75913	5.0
70.50983	1.0
71.01398	2.0
71.05022	2.8
72.48216	1.0
80.02682	1.3
81.03495	1.8
83.05033	4.9
84.02173	6.1
85.02965	5.9
85.06590	3.3
87.04535	8.5
93.03465	1.2
95.05048	8.5
97.06594	4.1
98.20605	1.2
106.04218	1.2
109.06620	1.4
111.04514	2.0
113.06111	1.4
121.06674	0.9
123.08157	1.5
125.09743	2.6
127.11316	2.4
137.09708	1.0
139.49286	0.9
155.14401	1.2
163.11299	1.2
165.12840	1.8
167.14487	1.3
171.10287	29.2
172.10612	2.3
183.13940	5.8
185.11870	1.0
193.12369	1.9
193.16022	2.4
201.11406	2.4
205.16031	1.1
209.11884	7.4
211.13411	26.0
212.13751	2.8
221.11905	1.1
221.15614	1.2
229.14449	25.0
230.14868	1.7
237.14990	38.6
238.15315	4.3
239.12892	1.7
249.14925	3.2
255.16049	1.8
267.16064	2.2
279.19522	1.0
289.18256	2.7
307.19131	2.3
325.20227	21.7
326.20517	3.1
343.21274	100.0
344.21667	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	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.50515	0.5
59.01380	2.4
69.03470	0.8
71.08622	1.4
76.17739	0.6
83.05044	0.9
97.06606	0.8
99.08168	5.3
121.10242	5.0
125.09762	3.6
127.11269	1.6
137.09737	1.3
139.11331	1.0
153.09206	0.7
157.78439	0.6
171.10291	39.0
172.10660	2.0
193.12344	9.2
201.11351	2.2
211.13406	1.9
225.14964	11.4
226.15337	1.3
243.16029	4.2
293.21255	1.9
311.22546	1.0
343.24905	100.0
344.25244	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	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42278	0.4
57.01676	0.5
57.03454	0.6
59.01388	2.7
69.03458	1.4
69.96223	1.5
75.44715	0.4
81.03473	0.4
83.05020	0.9
86.42371	0.4
90.22282	0.4
97.06597	0.7
97.83980	0.5
99.08166	8.0
107.66857	0.4
121.10253	3.6
125.09734	2.1
127.11303	1.1
137.09712	0.6
139.11272	1.1
149.13391	0.5
153.09157	0.6
163.11421	0.6
171.10283	24.4
172.10614	1.1
175.11267	0.6
185.11906	0.5
193.12346	13.7
194.12735	1.0
197.15491	0.6
201.02592	0.9
211.13402	2.1
225.14977	18.6
226.15291	1.3
243.16032	6.5
246.05328	0.6
289.18222	0.7
293.21262	2.6
294.21274	0.5
311.22342	0.5
325.21024	0.8
343.24905	100.0
344.25229	13.1
348.15161	0.5
367.12195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.31804	0.3
57.03452	0.8
59.01372	1.4
59.35469	0.3
61.98833	0.7
64.03190	0.5
64.78281	0.3
69.03464	0.4
70.81857	0.8
78.30521	0.4
91.48305	0.4
94.64124	0.3
95.20889	0.3
99.04674	0.4
113.09718	0.5
114.56634	0.3
121.09370	0.7
121.10241	12.7
122.10608	0.6
125.09718	1.0
127.11313	2.2
137.09727	2.5
139.11311	2.2
153.09229	1.0
165.09195	1.1
171.10281	67.9
172.10614	3.9
172.43069	0.4
173.02466	0.6
178.40668	0.3
187.22661	0.3
201.02600	0.7
216.06023	0.3
216.31018	0.4
246.05406	0.8
286.23907	0.6
293.21204	1.3
315.81900	0.4
343.24893	100.0
344.25232	13.4
344.29446	0.5
368.18704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79508	1.3
59.01381	1.6
70.24756	4.8
71.01381	2.3
72.99303	1.2
73.98318	3.3
74.99104	100.0
75.34696	1.2
85.02952	1.2
88.04057	2.0
93.03462	2.1
99.04532	1.9
118.98080	4.3
120.99644	2.5
131.74362	1.1
136.99152	65.6
161.02467	1.4
167.68088	1.2
181.05092	1.7
183.05519	1.8
191.05600	1.5
259.06488	1.2
301.16016	1.8
345.10822	1.6
347.73306	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	345.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40696	0.5
50.90533	0.5
59.01360	1.3
61.98827	0.6
69.19846	1.1
69.20231	4.7
71.01405	0.5
79.95747	24.4
80.96528	5.7
98.20651	1.3
117.03381	0.5
125.17323	0.5
186.95576	0.9
219.08194	0.8
247.07831	0.5
248.08464	1.2
248.96085	1.3
249.09172	1.7
250.09993	1.6
263.07623	1.0
263.10779	14.1
264.11121	2.2
265.12347	100.0
266.09827	0.7
266.12692	12.2
290.97198	2.4
345.08041	65.6
345.22751	1.9
346.08279	9.3
346.95804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.083
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01373	3.2
61.98835	1.3
67.64230	0.9
69.03479	1.1
69.40305	0.8
70.74947	1.9
70.75268	1.3
71.01389	1.9
74.76434	0.9
74.99098	3.7
79.01904	1.0
85.02959	1.9
87.03932	0.8
88.00442	1.0
95.01406	13.0
96.96056	1.6
107.01392	1.1
108.02222	1.2
109.02956	5.8
123.00903	83.9
123.04538	1.3
124.01720	12.9
125.02475	1.5
126.74512	0.9
126.78770	0.9
128.03522	0.8
130.08749	2.1
135.22160	1.0
136.01657	1.1
136.88699	0.8
136.99144	2.4
138.03246	16.7
139.00386	0.8
139.04027	8.7
151.00360	2.2
151.04007	1.2
152.71782	0.9
153.01959	0.9
165.02007	1.5
166.99878	100.0
168.00533	5.6
177.92731	1.2
181.05054	3.1
182.02232	89.4
183.02997	31.8
184.03305	1.5
193.05002	1.7
195.03047	4.9
195.04506	0.9
225.04024	1.5
267.09854	1.2
288.85162	0.9
290.97113	1.4
328.15073	1.0
345.08295	90.9
346.08646	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0831
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01373	3.0
61.98799	1.1
69.03457	1.4
70.40330	2.5
71.01396	2.2
74.02470	1.6
74.99096	5.8
82.02966	1.5
84.48055	0.9
85.02951	2.1
89.02432	1.1
93.03448	1.1
95.01402	13.5
96.95998	0.9
97.02941	1.1
101.02470	1.0
107.01410	1.5
108.02182	1.8
109.02961	4.7
110.02445	1.1
111.22211	1.3
113.02472	2.0
113.03606	1.4
118.94154	0.9
121.02982	1.3
123.00898	83.0
124.01726	14.9
125.02467	1.9
128.03522	2.6
130.08752	4.6
136.99176	2.1
137.02434	2.4
138.03242	15.9
139.00418	1.1
139.04047	9.0
143.11920	1.2
149.17014	1.2
151.00372	1.9
151.04022	2.9
153.01933	1.4
163.03983	1.7
165.01942	2.3
166.02650	1.2
166.99873	100.0
168.00581	7.7
168.04208	1.0
169.05139	1.2
181.05086	2.7
182.02234	91.5
183.03000	34.8
183.06491	1.1
184.03389	1.7
191.05659	1.2
193.04965	1.8
195.02989	2.7
247.48988	1.1
248.96127	2.2
255.05153	1.0
257.11777	1.0
267.09912	3.3
284.12454	1.9
290.97153	3.4
301.15121	3.2
328.15036	2.0
345.08270	96.8
346.08652	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	345.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67307	0.7
55.04184	0.7
55.75632	0.7
59.01387	4.0
69.20314	6.3
69.20717	1.5
73.63290	0.6
93.03471	1.0
96.96024	2.7
106.65627	0.6
109.02997	0.8
120.99672	100.0
121.77895	0.6
122.00018	1.6
129.69382	0.8
134.60185	0.7
161.02513	1.6
171.10333	1.3
173.04573	3.7
176.03915	0.7
182.02299	1.3
183.03009	1.1
191.05643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69577	0.5
55.63037	0.5
59.01378	2.7
69.74438	3.3
71.01379	1.6
78.23604	0.6
84.04556	1.0
89.02460	1.2
95.03767	2.2
96.08228	1.3
97.01702	0.6
98.19882	0.7
101.02390	0.9
103.57457	0.5
104.05058	2.1
106.06635	5.8
118.92542	0.6
119.94674	0.6
120.04534	0.9
121.10226	0.8
122.06113	2.8
124.07693	7.9
132.04570	41.7
133.05368	26.8
134.06190	5.5
148.04068	2.2
150.05565	2.1
161.02403	0.9
163.15059	0.6
165.04326	22.2
165.05710	1.1
166.04556	0.9
173.04460	0.8
173.65041	0.7
176.03601	1.0
176.07220	1.5
177.04341	5.5
178.05042	2.2
185.08531	1.1
186.09296	4.5
187.08809	0.7
198.09201	1.0
209.03348	4.9
213.06723	3.7
214.12408	9.5
215.11880	8.5
216.12096	1.4
226.07440	0.7
227.08232	1.3
229.09853	4.0
240.10353	1.7
241.09830	4.4
255.11429	1.3
257.12958	26.3
258.13205	3.0
283.10953	8.3
284.21994	0.6
301.11960	20.5
302.12393	2.4
326.04053	0.6
327.09921	1.6
345.10922	100.0
345.22818	2.4
346.11252	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	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01112	1.5
59.01383	19.7
67.01909	1.5
68.99799	1.0
71.01388	16.4
71.54591	1.6
73.02951	3.7
76.71836	1.1
83.01400	3.0
84.04558	1.6
85.02963	8.6
87.00897	3.1
89.00502	1.1
89.02451	9.1
93.03479	6.8
94.03016	1.1
95.01406	2.4
95.03780	4.7
96.96003	1.1
99.00939	1.3
101.02459	10.7
104.05070	3.6
104.60463	0.9
106.06643	6.6
113.02464	7.2
119.03504	3.9
121.10240	1.2
122.06123	4.8
123.03340	1.1
124.07695	12.1
132.04565	56.8
133.02965	1.7
133.05363	32.2
134.03764	1.5
134.06180	8.3
135.04529	11.9
138.05627	1.8
148.04074	3.3
150.05562	2.6
156.21909	1.0
160.01698	1.5
161.02469	4.4
161.04573	1.7
165.04323	35.4
166.04639	1.8
173.04567	3.5
175.04002	5.2
176.03741	2.0
176.07231	1.7
177.04346	5.6
178.05110	2.2
179.03500	9.5
184.07710	1.9
185.08368	1.3
186.09274	7.6
187.08772	1.3
191.05640	10.9
193.05119	1.7
198.09335	1.4
202.72446	1.1
209.03307	10.5
213.06737	4.9
214.12421	11.0
215.11848	11.0
226.07558	1.7
229.09853	4.8
240.10403	1.7
241.09853	7.1
257.12973	45.0
258.13318	3.8
283.10870	13.8
284.11276	2.0
301.11960	35.7
302.12302	3.5
327.05057	1.0
327.09860	3.7
337.09436	3.2
345.10992	100.0
345.15570	15.2
346.11240	13.5
346.15271	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	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
57.03204	1.2
57.03457	20.4
58.59876	0.8
59.01376	3.4
67.01897	1.2
68.99809	1.1
70.99645	0.8
71.01389	7.8
71.54520	1.2
72.99313	2.1
73.02950	2.8
75.00887	1.1
76.28221	0.8
79.95760	0.9
80.02578	0.9
83.01398	16.8
84.02173	2.0
85.02963	100.0
86.03296	2.6
87.00874	1.0
89.02488	0.9
93.03486	2.0
96.96041	4.7
99.00908	1.5
101.02428	5.8
111.00893	28.1
112.01223	1.9
112.48816	1.0
120.99634	1.6
121.02956	1.9
122.03704	1.1
127.11284	0.9
129.01959	40.0
130.02307	1.7
135.04527	2.5
139.07672	8.7
161.02507	1.1
161.04518	2.6
165.02077	3.0
166.02614	1.1
171.10260	3.8
173.04547	1.5
175.98810	1.0
176.03850	1.8
179.03577	1.3
187.02498	1.7
191.05615	3.2
205.03549	19.6
206.03914	1.1
209.04576	1.4
213.05550	1.3
225.05548	1.2
227.03502	1.1
228.04471	0.9
241.05032	2.6
247.07510	1.2
253.05020	1.0
271.19150	1.1
300.06378	1.4
315.08716	4.5
327.01346	1.8
327.08691	2.0
345.02530	1.4
345.09830	2.4
345.22849	13.7
346.23145	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	345.1557
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
51.49854	0.9
57.03432	2.3
58.00600	2.0
59.01385	65.3
69.30819	9.7
71.01388	36.7
72.43677	1.1
72.99313	6.1
73.02976	1.3
79.95695	1.1
83.01408	2.6
84.02180	1.1
85.02968	7.8
87.00906	1.9
89.02458	28.1
95.01402	2.2
101.02460	19.4
107.76826	1.0
109.96189	0.9
113.02471	11.0
116.47748	1.0
119.03506	13.7
119.08653	1.3
119.55293	1.0
121.10246	48.6
122.10563	2.5
131.03491	1.8
137.09750	8.6
143.03526	1.6
161.02567	1.3
162.52826	1.3
165.09219	76.2
166.09575	4.6
175.88510	1.1
179.05670	1.6
179.10690	1.1
180.37067	0.9
183.10272	42.3
184.10628	1.9
210.30194	1.1
223.04460	1.1
225.11293	1.4
317.23065	1.4
345.15564	100.0
345.22537	3.1
346.15842	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.69864	1.6
55.01868	2.3
57.03450	4.5
58.00593	4.2
59.01387	100.0
71.01392	78.8
71.01785	4.2
71.54334	2.3
72.99312	6.3
73.02946	6.8
79.95712	1.9
83.01399	8.1
85.02956	21.7
85.34141	1.6
87.00896	3.4
89.02455	60.9
90.41031	1.7
93.03465	9.4
95.01398	5.5
99.00900	1.9
101.02456	44.7
106.06665	2.6
108.04552	3.8
113.02463	26.3
119.03519	27.0
121.10239	11.9
123.28114	1.7
124.07681	4.3
131.03503	2.6
132.04553	9.7
133.03023	11.5
133.05331	6.0
134.03709	4.5
134.06125	1.9
135.04498	6.2
141.35571	1.8
143.03485	3.6
147.04489	3.8
151.00328	3.0
155.03537	1.8
161.02470	32.3
161.04559	3.2
162.02788	4.0
165.04324	5.6
165.09204	14.1
173.04582	23.1
175.03987	5.1
176.04027	2.9
179.03493	1.9
183.10226	2.1
186.09236	1.9
191.05659	7.2
193.05066	5.3
209.03296	1.9
214.12329	2.3
215.11981	3.0
257.12967	5.2
301.11853	7.0
314.27411	1.9
327.05255	4.2
345.06482	3.1
345.10843	27.0
345.15518	62.2
345.22476	4.9
346.11765	2.6
346.15875	6.4
367.10422	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69864	1.6
55.01868	2.3
57.03450	4.5
58.00593	4.2
59.01387	100.0
71.01392	78.8
71.01785	4.2
71.54334	2.3
72.99312	6.3
73.02946	6.8
79.95712	1.9
83.01399	8.1
85.02956	21.7
85.34141	1.6
87.00896	3.4
89.02455	60.9
90.41031	1.7
93.03465	9.4
95.01398	5.5
99.00900	1.9
101.02456	44.7
106.06665	2.6
108.04552	3.8
113.02463	26.3
119.03519	27.0
121.10239	11.9
123.28114	1.7
124.07681	4.3
131.03503	2.6
132.04553	9.7
133.03023	11.5
133.05331	6.0
134.03709	4.5
134.06125	1.9
135.04498	6.2
141.35571	1.8
143.03485	3.6
147.04489	3.8
151.00328	3.0
155.03537	1.8
161.02470	32.3
161.04559	3.2
162.02788	4.0
165.04324	5.6
165.09204	14.1
173.04582	23.1
175.03987	5.1
176.04027	2.9
179.03493	1.9
183.10226	2.1
186.09236	1.9
191.05659	7.2
193.05066	5.3
209.03296	1.9
214.12329	2.3
215.11981	3.0
257.12967	5.2
301.11853	7.0
314.27411	1.9
327.05255	4.2
345.06482	3.1
345.10843	27.0
345.15518	62.2
345.22476	4.9
346.11765	2.6
346.15875	6.4
367.10422	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69864	1.6
55.01868	2.3
57.03450	4.5
58.00593	4.2
59.01387	100.0
71.01392	78.8
71.01785	4.2
71.54334	2.3
72.99312	6.3
73.02946	6.8
79.95712	1.9
83.01399	8.1
85.02956	21.7
85.34141	1.6
87.00896	3.4
89.02455	60.9
90.41031	1.7
93.03465	9.4
95.01398	5.5
99.00900	1.9
101.02456	44.7
106.06665	2.6
108.04552	3.8
113.02463	26.3
119.03519	27.0
121.10239	11.9
123.28114	1.7
124.07681	4.3
131.03503	2.6
132.04553	9.7
133.03023	11.5
133.05331	6.0
134.03709	4.5
134.06125	1.9
135.04498	6.2
141.35571	1.8
143.03485	3.6
147.04489	3.8
151.00328	3.0
155.03537	1.8
161.02470	32.3
161.04559	3.2
162.02788	4.0
165.04324	5.6
165.09204	14.1
173.04582	23.1
175.03987	5.1
176.04027	2.9
179.03493	1.9
183.10226	2.1
186.09236	1.9
191.05659	7.2
193.05066	5.3
209.03296	1.9
214.12329	2.3
215.11981	3.0
257.12967	5.2
301.11853	7.0
314.27411	1.9
327.05255	4.2
345.06482	3.1
345.10843	27.0
345.15518	62.2
345.22476	4.9
346.11765	2.6
346.15875	6.4
367.10422	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	345.2284
Annotation	oscr#20
Peak:m/z	Relative Intensity
58.00593	1.2
59.01126	0.5
59.01379	3.2
60.30232	0.4
61.31121	0.4
63.08731	0.4
67.23621	0.4
69.46908	2.2
69.47322	0.9
71.01385	1.9
73.02955	1.9
84.02174	2.0
89.72443	0.4
99.08160	2.8
111.08195	0.7
113.09744	4.4
123.08157	0.4
125.09753	4.8
127.07670	0.7
127.11307	1.8
129.09232	2.0
135.04546	0.7
135.08186	0.7
137.09726	1.8
139.11314	0.8
141.09248	4.0
143.10770	1.2
153.09270	0.7
153.12909	0.6
155.10802	2.0
167.10774	0.7
169.12360	1.9
171.10289	25.4
172.10632	1.9
173.04607	0.6
183.10295	0.6
185.11830	8.1
197.11850	7.8
199.13393	0.5
201.11348	8.4
202.11652	0.5
203.12941	1.0
209.11838	2.0
213.11324	1.7
215.12860	2.6
227.12880	0.9
245.13628	0.5
248.06796	0.5
290.97141	1.2
291.19598	1.2
327.21826	3.8
328.22012	0.8
345.22845	100.0
346.23178	11.1
357.26364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2286
Annotation	oscr#20
Peak:m/z	Relative Intensity
55.01868	0.9
57.03460	7.1
59.01368	2.5
69.03438	0.9
69.20744	2.8
69.21171	2.9
70.99580	0.7
71.01388	3.0
71.05020	2.0
72.78517	0.6
73.02912	1.5
79.02637	0.6
79.14742	0.6
79.95748	0.6
80.96497	0.9
83.01382	2.5
83.05048	1.7
85.02461	1.3
85.02959	22.5
85.06597	2.8
87.00837	0.7
89.73382	0.7
93.03465	1.4
94.00461	0.6
95.09879	0.7
96.96015	2.1
97.06628	0.9
101.02450	2.1
111.00895	7.5
115.07674	4.9
121.75700	0.6
122.13222	0.6
125.09700	1.5
127.11287	2.0
129.01958	8.9
134.03749	0.7
135.04539	1.2
137.02470	0.7
139.07692	1.5
155.14359	1.5
161.02423	1.5
162.02734	0.7
165.12851	0.7
167.14435	1.2
171.10245	3.4
173.04622	3.8
179.03584	1.3
183.10390	0.9
183.13914	6.0
191.05638	1.9
193.12343	2.3
199.13397	0.9
205.03552	5.0
209.11839	2.0
211.13417	29.3
211.15437	1.4
212.13724	2.2
223.04552	4.8
229.14453	24.6
230.14790	1.0
255.20432	0.7
271.06094	0.8
309.20859	1.3
327.21744	1.2
330.07422	0.9
335.42728	0.6
345.22830	100.0
346.23148	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91208	0.4
52.49352	0.3
53.55751	0.4
59.01384	25.0
60.01719	2.9
60.77423	0.4
61.01808	1.0
61.98835	100.0
68.46588	0.5
71.12293	0.9
71.12637	0.5
94.71732	0.4
108.55193	0.4
137.41971	0.4
158.03769	0.9
159.03276	0.6
201.02542	3.2
202.02719	10.4
203.02298	14.3
204.00009	39.3
204.02666	3.1
205.00146	3.8
229.01117	0.4
249.24417	0.4
277.06354	0.5
346.01111	0.6
363.68378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.9
55.23870	0.7
55.48998	0.8
55.70694	0.8
57.03455	18.5
59.01379	3.3
67.01895	2.1
69.38770	6.1
69.93473	0.8
70.87119	0.8
71.01387	6.2
71.45915	0.8
72.99304	1.3
73.02953	2.3
75.00886	1.2
75.67987	0.8
79.95760	0.8
83.01397	10.5
84.02177	1.9
85.02957	100.0
86.03308	2.3
96.16412	0.8
96.96008	2.8
99.00893	1.4
101.02443	4.5
111.00890	30.0
129.01956	43.4
130.02223	1.2
135.04538	0.9
141.09236	10.1
155.58025	0.8
161.04549	2.8
167.52550	0.8
176.04024	2.2
177.03955	1.0
187.02469	1.0
205.03537	23.0
206.03905	1.2
209.11765	1.2
223.04541	3.9
283.56302	0.8
326.52548	0.8
338.80066	0.8
347.13361	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	347.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.2
57.03199	1.6
57.03452	20.2
59.01379	2.7
67.01907	1.7
68.99848	1.0
70.49485	1.0
70.49825	2.7
71.01389	6.2
72.99316	2.1
73.02937	2.1
74.83193	0.9
75.00873	1.3
79.95736	3.2
83.01402	9.8
84.02159	2.8
84.96787	1.0
85.02956	100.0
86.03270	1.8
90.16367	0.9
96.96033	6.2
101.02435	3.5
111.00888	32.4
122.74790	0.9
129.01953	41.6
135.04552	0.9
141.09224	8.9
161.04565	1.5
161.89230	1.0
162.98210	0.9
163.85309	0.9
173.04575	1.3
175.13918	1.0
179.03525	1.2
187.02478	1.0
205.03548	23.0
223.04558	3.9
231.11967	1.2
303.22006	1.6
347.17209	1.4
356.49121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03445	2.3
58.00602	2.4
59.01387	57.4
68.40175	1.5
69.03468	1.9
71.01395	27.4
71.54202	2.3
72.99329	8.5
73.02970	1.6
83.01399	3.1
85.02957	9.1
85.75307	2.0
87.00845	2.7
89.02465	22.0
94.09016	1.7
95.01424	2.3
96.96027	3.7
101.02458	20.6
102.13836	1.8
110.34562	1.6
113.02465	9.8
119.03510	12.1
122.54716	1.7
137.02472	2.1
139.11316	6.7
140.11557	1.7
146.21001	1.6
161.04489	2.4
167.10791	100.0
168.11145	6.5
177.62866	1.9
185.11873	21.2
186.12271	2.5
186.77419	1.8
189.35641	1.8
191.05653	2.8
223.04686	2.1
233.05635	1.9
316.39844	1.9
347.05844	1.9
347.17133	78.0
348.17532	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	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.71864	0.8
55.01888	1.4
57.03443	2.7
58.00597	4.9
59.01384	100.0
60.01720	1.2
67.01754	0.8
69.03465	1.4
71.01386	66.0
71.05024	1.2
71.08292	1.6
72.01732	1.4
72.99313	5.3
73.02954	13.8
79.93968	1.4
81.07101	2.6
83.01398	6.2
85.02960	17.3
87.00887	3.3
89.02450	60.6
90.02807	0.9
93.03475	1.1
95.01372	5.1
96.96008	1.2
97.02958	1.8
97.06632	0.9
99.00890	1.8
101.02454	38.6
111.00936	0.8
113.02456	24.1
114.02783	1.1
117.08543	0.8
119.03513	22.4
120.01252	2.1
120.03896	1.0
125.02487	1.5
127.08765	1.3
128.03552	11.7
131.03514	2.5
135.04565	2.0
143.03477	4.1
143.07066	1.0
149.04599	2.2
149.06096	0.9
153.06729	1.0
161.04594	6.2
167.10760	0.8
171.07730	3.9
179.05713	4.0
185.11842	1.4
191.05740	1.3
247.11966	1.7
249.05533	1.9
309.78165	0.8
347.07983	1.0
347.12698	3.4
347.17163	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.41592	0.8
55.01886	5.4
57.03444	3.0
58.00601	1.2
59.01387	51.4
68.99818	0.9
69.03439	0.8
69.17600	7.6
69.68858	0.7
71.01390	42.8
72.99306	2.8
73.02953	12.8
75.00864	1.1
79.95744	4.5
82.55769	0.7
83.01398	7.9
83.30679	0.7
85.02953	22.4
86.00104	2.2
87.00887	2.5
89.02463	14.8
93.03467	1.2
95.01396	3.7
95.95254	3.8
96.96026	32.8
97.02995	1.4
97.06596	1.0
99.00886	4.8
101.02455	39.3
102.02812	1.2
109.02982	1.0
110.97592	0.9
111.00898	1.8
113.02462	16.8
119.03516	6.5
122.97578	1.8
125.02482	1.9
133.02982	1.2
135.04553	1.4
143.03516	1.7
152.02307	0.8
159.03030	2.1
161.02499	1.8
161.04596	9.2
167.10793	5.8
173.04596	2.0
175.07639	1.5
179.03586	1.1
185.11862	3.5
191.05640	1.0
219.06601	1.6
249.09399	1.2
255.07079	0.9
262.12164	0.9
267.10251	1.5
289.03775	2.1
289.52435	2.5
303.18262	5.8
309.95062	0.8
338.05759	6.8
338.55789	1.4
347.06628	6.2
347.17133	100.0
348.06302	1.2
348.17450	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	347.223
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
57.03453	2.4
59.01389	3.4
61.98831	1.3
63.54274	0.4
65.73474	0.4
70.08524	1.7
70.86656	0.5
71.01384	1.3
81.01391	0.5
81.03470	2.1
83.05035	9.9
85.02962	3.1
95.05042	0.5
108.02195	3.8
109.03011	0.9
109.06591	0.7
111.04527	9.0
121.02960	1.5
123.04544	0.7
136.05309	4.5
139.04039	1.4
163.07631	1.2
172.03824	1.2
177.63904	0.5
191.07098	0.6
259.17062	0.8
285.22284	0.5
293.21268	0.7
311.22586	0.9
314.30765	0.5
329.21329	2.2
341.55328	0.5
347.22318	100.0
348.22635	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	348.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55864	4.8
53.58681	5.1
57.03436	5.2
59.01377	21.5
61.65948	4.3
61.98822	16.5
62.76115	4.6
65.47524	4.3
71.01389	9.6
71.55140	7.5
75.98817	4.9
79.95741	9.3
85.02970	29.3
93.03470	5.2
96.96017	21.6
101.02455	5.5
105.22624	4.8
111.00891	7.0
116.12402	4.4
129.01947	17.3
133.02997	31.2
135.04562	5.1
143.10686	6.9
151.00357	15.4
161.02475	7.7
173.04648	6.6
191.05635	6.3
205.03654	11.7
225.51508	5.6
229.08736	6.2
252.06477	13.0
269.04520	9.9
285.04059	100.0
286.04349	15.1
349.12833	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	348.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30085	1.2
55.01886	1.1
57.03446	1.3
59.01389	11.4
67.01897	5.7
67.84161	1.2
68.99821	4.0
69.03429	1.2
71.01396	8.2
71.40512	1.3
72.99311	1.9
83.01365	1.7
85.02961	27.8
87.00876	2.0
89.02458	3.2
93.03473	6.1
96.96008	2.7
98.20708	1.7
99.99373	1.2
101.02427	5.0
104.21935	1.2
111.00708	1.1
111.04512	1.3
113.02462	3.4
114.05614	3.9
115.58921	1.2
117.03353	1.3
121.02969	43.2
126.09219	2.9
129.01939	3.4
133.03014	1.6
135.04524	9.5
138.09250	4.4
141.09254	1.8
154.08745	3.7
155.10771	3.5
158.03748	1.3
159.04514	2.5
161.02409	3.5
161.04549	3.5
172.05272	4.0
173.04582	9.0
173.05930	1.9
174.03259	1.9
175.04056	1.9
176.03909	1.7
179.03510	9.2
179.05479	1.4
182.08232	100.0
183.04483	1.7
183.08545	6.5
187.03990	3.4
187.07652	35.3
189.05571	3.5
191.05580	2.1
199.03932	2.2
199.09711	1.6
200.04816	3.8
201.05679	2.0
213.09140	3.5
215.07123	10.1
226.07298	6.9
227.03481	2.9
228.04221	3.3
229.08727	4.3
231.06647	3.9
231.10240	5.0
232.53493	1.2
250.09608	1.5
257.05710	2.1
257.08215	30.1
304.12051	3.4
305.10330	15.9
348.06403	2.0
348.11465	2.7
349.12979	15.6
349.17258	1.9
349.18591	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	348.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51956	3.2
59.01388	100.0
61.98832	4.5
68.99829	7.0
69.19067	35.3
71.01398	4.5
98.20683	7.7
122.47382	3.3
145.02858	4.2
151.50935	3.4
158.03758	10.8
158.07443	3.5
159.56651	3.7
161.04588	3.5
172.05345	4.0
186.03210	8.1
186.06879	9.8
187.07645	4.1
196.62996	3.7
201.05649	4.3
201.09206	4.9
215.07169	6.9
229.08701	8.2
247.04143	3.3
256.07263	5.8
269.04639	10.1
348.12109	9.3
349.21729	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82260	0.4
51.99794	0.4
59.01385	0.9
61.98837	100.0
62.95425	0.4
62.98547	0.8
63.99242	0.9
71.52437	0.4
78.33446	0.4
85.04469	0.4
87.33363	0.3
91.21664	0.4
101.01689	0.4
124.33788	0.4
162.98524	0.9
204.00018	1.7
205.00150	4.2
205.99762	6.2
206.97466	58.1
207.93393	0.8
207.97546	4.9
236.24837	0.4
249.24814	0.5
306.79745	0.4
322.48495	0.5
349.21701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	15.6
59.01395	77.6
71.01376	68.1
71.53233	14.0
72.99324	17.1
73.02974	16.0
83.01431	26.8
85.02971	100.0
96.96026	48.9
98.28601	13.2
99.36423	11.5
101.02457	51.4
106.20054	13.1
107.05052	52.5
111.00915	18.9
113.02478	26.4
119.03558	18.4
129.01941	23.7
139.04027	22.8
142.60179	12.6
143.00186	32.3
151.04031	47.2
161.04559	26.3
205.03606	16.0
217.93011	16.5
223.04510	20.9
227.01741	23.3
313.04901	43.5
346.98459	12.9
349.14984	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	349.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
56.07896	1.7
57.03445	10.0
57.52310	2.0
59.01384	20.3
65.00283	1.9
71.01419	10.2
71.53587	2.9
72.99327	5.5
73.02953	4.2
83.01398	8.8
84.02225	2.8
85.02961	88.3
86.03261	1.6
87.00890	2.8
89.02454	3.5
92.05075	2.4
94.06641	2.6
95.01456	2.0
96.96027	11.2
101.02479	9.2
104.05070	1.9
105.67945	1.9
106.06645	12.3
107.05044	2.2
108.04559	4.3
110.06145	1.7
113.02496	4.5
119.03545	2.6
120.04580	5.4
121.02962	4.9
122.02516	2.5
122.06149	14.7
125.01177	4.4
127.83382	1.9
129.01984	3.1
132.04564	3.9
135.04512	2.2
136.04073	4.9
138.05635	9.1
143.03519	8.1
150.05621	5.3
151.04030	2.4
154.05104	14.6
161.04630	5.2
165.05685	2.6
169.57883	2.4
179.05643	1.9
205.03558	12.6
227.01746	39.6
229.04831	5.3
255.12341	4.0
261.08813	2.5
284.10352	1.8
305.11459	100.0
306.11804	9.6
313.12946	10.0
349.10461	25.2
349.15027	11.7
349.21927	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	349.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
55.49144	2.3
57.03450	14.3
59.01385	27.5
67.01896	2.6
69.89838	3.4
69.90235	6.0
71.01392	15.4
72.99297	3.2
73.02945	4.7
74.24115	2.0
75.00868	2.8
83.01395	10.4
83.13756	2.0
84.02180	3.2
85.02956	100.0
85.03474	4.8
86.03306	2.9
87.00857	3.7
89.02456	9.1
92.68153	2.2
94.06647	3.3
96.96002	9.6
99.00922	3.5
101.02422	9.0
106.06605	5.0
108.04578	3.9
111.00877	3.4
111.04494	2.6
112.04021	2.2
113.02462	5.7
120.04536	4.8
121.03005	4.7
122.06158	11.6
125.01169	5.3
132.64580	2.1
136.03998	7.1
138.05620	6.1
140.99588	2.3
143.03514	9.6
150.03220	2.6
150.05618	4.4
154.05107	16.9
161.04550	6.6
165.05495	2.4
184.68050	2.2
205.03552	11.0
227.01753	42.3
228.02510	2.3
229.04805	5.3
255.12399	3.9
305.11456	81.1
306.11691	10.2
313.13019	6.6
349.10440	24.5
349.14966	11.1
349.21750	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	349.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.8
68.99827	11.7
69.29955	3.9
69.30381	2.8
71.01397	3.2
74.99110	1.1
85.02962	3.0
87.00892	1.4
89.02490	2.1
91.04025	1.5
93.03509	1.3
93.25698	0.8
98.19913	1.2
101.02440	1.6
113.02458	1.3
115.53394	0.8
120.14645	0.8
122.03282	1.0
135.04530	2.8
136.04889	0.9
136.99162	1.2
141.61510	0.8
143.00787	0.8
158.03741	1.4
159.04533	6.0
161.02419	2.9
161.04575	5.1
172.05309	17.5
173.04539	2.1
173.06061	6.7
174.03191	1.1
175.03986	2.4
179.03563	1.9
180.03926	1.5
182.08347	1.0
183.04544	4.2
185.06123	1.8
186.03217	0.9
186.06908	2.4
187.04074	14.3
187.07658	100.0
188.08005	7.9
189.01978	1.7
189.05569	16.0
190.05739	1.1
191.05707	1.2
199.04018	7.5
200.04785	9.0
201.05522	5.8
201.09175	1.7
202.06332	3.5
203.62059	0.8
204.04312	1.6
211.07747	1.9
213.05583	1.8
213.09250	9.5
214.06349	1.9
214.09613	1.0
215.07137	27.5
216.07529	3.8
227.03490	8.2
228.04292	8.0
229.04904	1.3
229.08705	8.4
231.06688	8.6
231.10239	11.7
237.45593	1.1
245.04480	1.0
257.08212	68.4
258.08505	6.5
275.09222	1.3
276.06149	1.3
277.07217	1.1
305.10321	45.9
306.10535	6.5
349.12964	25.4
349.17847	1.6
349.18689	1.5
350.13278	3.6
356.88202	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	349.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31588	0.6
59.01382	21.9
68.99823	11.0
70.50249	2.2
71.01382	2.3
83.01403	0.9
83.89434	0.7
85.02955	1.0
87.00880	1.5
89.02457	2.4
91.04012	2.0
93.03484	1.3
95.01402	1.7
99.18855	0.7
101.02433	1.2
109.02995	1.7
129.26147	0.6
130.04160	1.0
133.02956	1.1
135.04573	3.2
146.03740	1.2
147.04553	0.9
158.03680	2.0
159.04529	8.0
161.02457	3.2
161.04526	4.7
171.04568	1.3
172.05310	19.5
173.06009	5.0
174.03265	4.5
174.06786	0.8
175.03990	2.8
175.07478	0.8
176.04018	3.9
176.54163	3.0
179.03548	1.4
183.04555	5.1
184.05389	1.4
185.06105	1.7
186.03271	1.6
186.06895	1.5
187.04070	15.1
187.07657	100.0
188.07996	7.0
189.02031	1.7
189.05580	15.6
190.05994	0.7
191.05637	1.4
198.06874	0.7
199.04030	5.9
200.04797	9.1
201.05612	4.5
201.09248	2.5
202.06332	1.9
203.03471	1.1
203.06900	0.9
203.10779	1.8
204.04257	2.0
211.04077	1.6
211.07677	2.4
213.05641	1.9
213.09245	10.7
214.06326	1.1
214.09557	1.0
215.07132	32.5
216.07541	3.4
227.03496	8.5
228.04300	7.1
229.04810	1.5
229.08675	8.3
229.15956	1.7
231.06693	9.4
231.10271	9.9
232.10606	1.4
239.07097	0.9
245.19113	0.8
252.06418	1.0
257.08212	69.9
258.08499	6.3
275.09259	1.3
276.06506	1.2
277.07178	1.0
285.18561	0.9
289.18094	1.3
303.19687	12.2
304.19897	1.3
305.10315	46.1
305.21152	7.2
306.10684	4.1
306.21750	0.9
349.13000	21.7
349.19876	8.1
350.13367	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	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
57.03456	17.7
58.00590	0.6
59.01384	1.9
59.04456	0.5
61.43721	0.6
67.01887	2.0
69.54662	3.2
71.01396	6.9
72.99307	1.6
73.02951	1.7
75.00890	1.4
81.09545	0.6
83.01396	10.2
84.01725	0.7
84.02174	2.6
85.02959	100.0
86.03316	2.4
91.19846	0.6
95.29758	0.6
101.02456	5.5
111.00896	32.7
114.04612	0.6
129.01961	47.3
130.02303	1.5
130.49945	0.7
133.02988	2.0
143.10799	14.8
144.11078	0.6
161.04587	2.7
177.01952	0.8
187.02379	1.0
196.87140	0.6
205.03543	24.1
206.03940	1.0
211.13394	1.0
223.04620	3.8
252.06416	2.8
335.02020	0.6
348.01047	0.6
349.15274	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	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
57.03449	2.0
59.01384	3.7
64.41193	0.8
68.18336	0.6
69.03455	2.5
70.99688	1.4
71.01395	5.2
72.99319	23.6
75.00890	5.5
77.87094	0.6
81.03002	1.4
81.03464	21.3
82.03779	0.8
83.01376	0.8
85.02959	10.8
85.86776	0.6
87.00877	2.2
92.02655	0.6
96.96078	0.6
97.02981	1.3
99.00891	18.3
101.02433	1.3
111.00882	2.6
113.02460	8.2
115.04050	0.9
117.01986	3.3
125.02460	70.8
126.02777	2.0
129.01981	4.7
131.03520	2.9
133.02972	4.8
143.03491	9.5
143.10765	6.5
159.02914	0.8
161.04536	3.0
167.10750	1.1
169.01454	2.6
177.01912	1.3
187.02519	1.1
205.03546	100.0
206.03906	5.0
223.04631	2.2
252.06416	5.6
307.17892	0.8
331.70532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.6
57.03458	19.5
59.01377	2.1
67.01872	1.7
68.99844	0.7
71.01392	7.2
72.99309	1.6
73.02947	1.7
75.00878	0.9
83.01402	10.5
84.02169	2.6
85.02962	100.0
86.03293	2.2
98.19875	1.6
99.00874	1.2
101.02458	5.3
111.00899	31.7
129.01965	45.7
130.02298	1.6
133.02946	3.9
133.34665	0.7
136.87181	0.7
143.10802	13.6
144.11119	0.8
156.91211	0.7
161.04584	1.8
177.01950	0.9
177.04037	0.8
187.02469	2.2
187.13455	0.7
193.86897	0.7
205.03561	23.2
206.03819	1.1
207.52946	0.7
223.04588	3.2
252.06381	5.2
349.15079	2.4
349.21921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55967	0.8
55.01884	3.7
57.03437	3.4
58.00600	4.7
59.01385	100.0
60.01707	1.2
66.88883	0.7
68.63616	0.9
68.64048	0.6
69.56617	4.2
71.01388	79.9
72.01738	1.2
72.99307	3.9
73.02953	17.4
83.01398	7.6
85.02955	26.1
87.00877	4.3
89.02451	62.2
95.01376	5.9
95.45753	0.7
97.02989	0.9
99.00893	5.8
100.29671	0.8
101.02448	57.8
102.02774	1.2
113.02455	34.5
114.02790	1.3
119.03510	25.9
122.63610	0.8
125.02440	1.1
129.01929	1.0
131.03490	2.6
141.09213	2.2
143.03514	4.9
149.04578	1.9
151.11269	0.9
155.10706	1.4
159.02991	4.3
161.03278	1.8
161.04570	25.1
162.04965	1.1
170.17084	0.8
179.05615	8.4
185.58083	0.8
187.13411	9.1
188.13672	1.1
288.85306	0.8
342.56982	0.7
349.18652	26.3
350.18924	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	349.187
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01892	1.4
58.00586	2.1
59.01388	39.8
65.03282	0.8
69.76309	4.7
71.01020	1.2
71.01389	19.9
72.99298	2.3
74.89529	0.8
75.00871	1.2
82.09594	1.0
83.01398	1.9
85.02964	5.8
87.00891	1.7
89.02454	15.4
95.01368	2.0
96.96033	1.0
101.02453	15.0
105.03473	1.0
113.02451	6.8
119.03503	4.5
133.02974	6.5
133.68333	0.9
139.11275	0.9
141.12874	31.4
142.13206	1.7
143.03485	1.2
169.12393	5.5
171.13956	2.5
177.01807	1.6
183.13936	2.6
187.13411	60.5
188.13832	4.3
229.14415	2.5
252.06400	9.8
349.18665	100.0
350.19052	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	349.1871
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01875	3.0
56.23206	1.3
57.03436	2.5
58.00592	3.0
59.01385	100.0
69.19789	5.0
69.20217	6.7
71.01389	71.4
72.99311	4.2
73.02964	6.8
75.00852	1.6
83.01396	4.5
85.02960	21.1
86.02480	4.7
87.00879	2.1
87.04519	2.5
89.02451	60.1
95.01395	8.0
96.96015	1.5
98.20641	3.3
99.00880	5.5
99.04526	6.5
101.02455	42.9
113.02460	30.5
119.03517	28.4
127.08739	2.2
128.03552	20.8
131.03473	3.0
131.16209	1.2
133.06944	15.8
143.03474	4.2
146.08142	1.6
153.68570	1.1
159.02962	4.0
161.04559	19.8
171.07730	10.7
179.05611	4.5
187.13419	10.5
209.37361	1.4
220.10043	2.7
249.06230	1.5
349.11319	4.4
349.14774	3.3
349.18591	23.8
350.19064	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	349.1868
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.93666	0.4
53.31982	0.4
55.01878	3.0
57.03455	3.6
58.00600	3.7
59.01384	100.0
60.01713	1.3
69.03480	1.0
69.71922	2.4
71.01388	77.8
71.05041	0.6
72.01723	1.2
72.99318	4.8
73.02954	7.9
73.74774	0.5
75.00877	0.9
76.02847	0.4
83.01402	4.2
85.02955	20.1
86.03304	0.7
87.00884	3.0
87.04513	3.3
89.02453	61.2
89.80638	0.4
90.02799	1.1
95.01401	5.6
96.96014	0.6
97.02959	1.3
99.00885	4.3
99.04539	0.5
101.02450	43.8
102.02807	1.0
108.04533	0.6
111.00881	0.7
113.02458	30.1
114.02776	0.6
119.03517	28.1
120.03030	0.4
120.03843	0.7
122.06125	1.4
125.02422	1.4
129.01962	0.9
131.03523	2.4
138.05606	1.0
143.03523	4.2
149.04553	1.7
159.02986	2.1
161.04562	17.8
162.04932	1.0
166.05063	0.6
173.04622	0.7
179.05603	3.6
185.11864	0.8
187.09785	0.4
187.13403	9.1
188.13693	0.8
205.03485	0.5
229.14439	0.5
247.15240	0.6
305.11417	2.4
307.14423	0.4
345.72321	0.4
349.14850	2.1
349.18658	22.5
350.15082	0.4
350.19043	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	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03458	3.4
58.00606	4.1
59.01385	100.0
60.01720	1.4
69.03474	1.0
71.01389	82.1
71.53254	1.0
72.01729	1.1
72.99313	6.3
73.02961	8.2
75.00885	0.9
75.01323	0.5
80.67581	0.6
83.01392	5.2
85.02960	22.2
87.00890	3.3
87.04529	4.1
89.02454	61.5
90.02790	1.5
95.01409	5.9
97.02943	1.0
97.06595	0.6
99.00893	3.1
101.02451	46.6
113.02464	30.8
113.03264	1.1
113.06124	0.7
114.02817	1.0
119.03513	29.6
122.06104	1.9
125.02438	1.5
131.03526	2.2
136.07710	0.7
138.05656	0.9
143.03502	3.5
149.04518	1.6
154.05098	0.8
159.03008	2.6
161.04570	20.6
162.04913	0.9
179.05646	3.7
187.09744	0.7
187.13408	9.2
187.78601	0.6
188.13751	0.6
200.25681	0.6
229.14337	0.6
305.11429	2.2
349.14847	1.7
349.18680	19.9
350.18848	2.6
373.74777	0.7
373.95212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31435	0.5
58.02985	1.2
59.01386	9.5
68.03654	0.4
68.60192	0.4
71.01389	4.5
71.52787	0.4
73.02986	0.4
83.01409	0.5
85.02964	2.9
87.00873	1.0
89.02464	3.0
93.03454	2.1
95.01425	0.4
98.90712	0.4
101.02473	2.4
105.03481	0.6
109.02968	0.8
111.04547	0.6
113.02450	1.3
114.09242	2.1
119.03512	0.9
121.02943	0.5
126.09246	1.2
129.02029	0.5
133.02966	3.8
135.04556	1.0
142.08751	4.3
144.04565	100.0
144.99950	0.5
145.04918	6.4
150.03197	0.5
153.01938	0.4
173.04561	2.3
177.01979	1.6
179.03520	0.5
184.09853	0.6
188.09283	9.7
191.05652	2.5
215.05675	1.9
228.06723	0.4
306.09860	0.6
350.14597	24.2
351.07330	1.3
351.15076	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	350.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73774	1.4
57.03436	1.3
59.01383	16.3
60.01718	1.4
69.03457	5.7
69.60191	1.2
71.01392	4.6
71.55119	2.0
72.99307	9.4
73.02982	1.9
83.05067	1.5
85.02971	4.3
87.00865	1.6
89.97386	1.3
93.03481	7.9
99.00918	1.2
101.02435	2.3
109.03005	1.7
111.00905	2.5
113.02465	2.6
114.05614	3.0
116.07188	70.4
120.08171	2.0
121.02974	26.7
122.09760	12.3
128.03575	2.0
128.10777	1.4
133.02954	8.6
135.04550	4.4
138.09258	19.0
139.09537	1.4
140.10852	3.0
152.44145	1.3
156.10297	2.1
166.08762	12.2
173.04594	7.0
177.01939	3.7
179.07230	2.2
184.09798	100.0
185.10121	4.5
191.05637	9.7
200.09299	13.9
210.07707	3.6
215.05641	3.5
228.08781	80.7
229.09032	5.0
269.04593	3.1
270.04919	15.2
308.18167	1.4
337.03506	1.4
350.12564	5.2
351.11969	1.4
351.21622	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	350.1459
Annotation	O-beta-D-Xylosylzeatin
Peak:m/z	Relative Intensity
55.01866	0.7
57.03451	0.8
58.00580	1.2
58.02983	6.2
59.01387	25.6
70.01508	2.7
71.01389	16.8
72.99279	0.8
73.02937	1.5
83.01440	0.8
85.02962	4.1
87.00874	2.2
89.02453	9.9
95.01423	0.9
99.00893	0.8
100.07703	4.4
101.02466	8.8
104.04456	0.7
112.65015	0.7
113.02448	5.3
114.09265	9.0
119.03527	4.7
126.09274	5.3
128.07199	1.6
128.10815	1.3
133.02985	1.0
133.06372	0.7
142.08757	15.5
144.04568	20.9
144.10278	1.4
145.04919	1.1
146.08255	0.7
156.10272	1.3
161.04573	0.8
170.08252	2.6
172.09793	1.8
184.09769	2.5
188.09303	43.2
189.09662	1.6
191.05634	0.9
194.39607	0.7
230.10448	2.2
350.14581	100.0
351.14792	7.1
370.26834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66891	1.1
57.03433	3.5
59.01387	43.3
60.01717	1.0
68.99809	1.1
71.01391	27.8
71.35784	1.1
71.53030	1.1
72.99308	5.3
73.02943	3.7
75.00883	16.9
83.01392	2.1
85.02959	24.2
87.00881	9.5
89.02459	9.1
93.03448	7.3
95.01385	6.5
96.96020	3.3
99.00885	11.1
101.02449	5.1
101.06094	100.0
102.06431	3.8
103.00407	3.0
105.03437	1.3
108.10731	1.2
109.02950	3.1
111.04521	1.6
112.26326	1.4
113.02458	35.8
117.01952	3.2
122.06078	1.9
129.01920	2.7
129.36824	1.2
133.02998	9.7
135.04506	4.2
138.05563	1.4
147.03302	1.7
155.25322	1.1
157.01228	1.2
160.04120	1.2
161.04616	1.1
171.10260	2.5
173.04562	7.2
175.02487	3.3
177.01949	3.2
182.66461	1.1
189.11325	3.1
189.50163	1.1
191.05594	12.3
205.07178	1.2
215.05586	2.2
219.67659	1.2
249.06288	6.9
267.07120	6.2
268.19934	1.4
271.10962	2.3
289.11969	2.3
307.12961	7.1
333.11761	2.7
351.12949	87.7
351.16672	10.2
352.13522	8.1
352.16962	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	351.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42590	0.6
57.03438	2.7
57.58394	0.6
59.01384	14.4
65.20269	0.5
68.99808	0.6
69.03467	1.0
69.63277	2.6
69.63689	1.2
71.01386	13.5
72.99321	4.6
73.02943	1.4
75.00880	16.0
85.02460	1.2
85.02957	17.0
86.03349	0.7
87.00882	8.5
89.02444	2.9
93.03464	1.0
95.01395	3.2
98.19906	1.3
99.00884	8.1
101.06088	100.0
102.06438	3.1
103.00381	1.6
111.00923	0.8
113.02461	20.4
115.00394	1.3
117.01963	3.1
129.01942	2.0
157.01402	0.8
175.02481	2.0
191.05670	1.8
205.07175	1.0
231.05058	2.6
249.06183	15.9
250.06465	1.0
267.07272	1.5
291.10883	2.0
307.12946	0.9
333.11841	1.7
351.12979	66.5
352.13287	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	351.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87305	1.3
51.71299	1.4
53.56815	1.6
54.86449	1.4
55.27638	1.4
59.01389	10.1
70.03556	3.4
70.03942	3.3
71.01388	11.0
74.96190	6.8
76.84814	1.5
78.51787	1.5
83.86165	1.4
96.96027	4.7
113.15416	1.5
128.97279	4.2
133.03006	3.5
135.04526	7.4
141.21675	1.5
173.04538	2.7
177.09258	2.9
179.03581	1.8
186.95625	3.0
191.05632	2.5
192.11530	7.6
192.95856	9.8
205.12312	4.0
218.09512	2.2
220.14691	57.0
221.15477	100.0
222.15810	7.8
231.17531	2.6
236.10548	79.8
237.10944	6.0
275.16547	4.4
278.10538	4.7
279.11371	1.7
285.13260	2.0
293.17648	20.8
294.05417	3.1
333.12213	7.2
336.65161	1.8
351.13461	60.6
351.22028	2.0
352.13840	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.06443	0.8
60.01704	1.7
63.24204	0.8
69.37594	3.6
69.38019	3.4
71.01382	1.3
85.02969	1.2
93.03475	2.7
95.44338	0.8
98.20670	1.9
99.66835	0.8
103.07236	0.9
105.03493	1.2
111.04504	1.3
119.05023	3.2
131.95923	0.8
133.02953	4.2
135.04501	1.5
148.38976	0.9
161.02371	1.2
173.04601	4.3
176.57053	0.9
177.01884	1.5
177.05557	9.8
191.05583	3.1
351.04736	1.0
351.14819	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.99871	0.7
60.01713	1.3
70.29008	3.0
71.01398	3.2
73.02965	1.6
74.99097	3.7
83.01402	0.8
85.02946	1.3
87.00909	2.8
93.03477	2.4
98.20549	0.9
99.04531	10.5
101.02470	2.2
105.03497	1.1
113.02467	1.6
133.02959	3.5
136.99176	2.6
150.49660	0.7
161.02608	0.8
161.04623	1.3
173.04608	2.2
176.04005	0.7
177.01927	1.1
181.12395	1.8
191.05690	3.4
193.12413	2.9
211.13414	8.1
215.11182	3.2
227.11183	4.3
229.14490	3.0
245.12140	14.9
246.12532	1.1
263.13211	7.6
269.10437	2.3
275.73145	0.7
307.10944	0.9
351.10556	1.1
351.14804	21.5
352.10715	0.8
352.15158	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	351.171
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
54.37976	1.7
54.54487	1.8
54.88725	1.6
59.01388	16.6
66.22251	1.6
69.21274	18.0
72.47227	1.8
93.88480	2.1
95.56955	2.0
96.96002	3.2
121.10225	8.8
171.10304	19.8
183.95184	2.1
186.95552	2.0
192.95886	6.3
197.79120	1.6
229.04961	2.5
275.20242	19.5
293.21265	16.4
294.21277	2.1
315.84616	2.0
344.62329	2.0
351.17099	100.0
352.17444	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	351.2181
Annotation	CAPILLOLIDE
Peak:m/z	Relative Intensity
53.91698	0.4
58.00588	0.6
58.58182	0.5
59.01385	4.0
61.86145	0.5
69.65611	0.5
70.26158	2.0
71.01396	0.7
78.67348	0.5
80.69542	0.4
93.03448	1.0
95.15833	0.5
109.02971	0.5
120.45168	0.4
126.48989	0.5
133.02921	1.5
133.06526	0.8
135.04523	1.2
136.49884	0.4
143.05559	0.5
173.04546	1.1
173.09718	1.5
191.05586	1.4
215.05574	0.7
215.14409	2.2
227.14406	1.5
229.15907	0.5
231.17563	1.7
243.17511	1.3
263.13388	0.6
271.16946	1.5
275.20160	1.5
285.18542	0.5
287.16541	2.0
289.18201	2.4
291.19693	9.9
292.20102	1.2
293.21323	2.3
301.17981	1.9
303.19678	68.0
304.20010	8.5
305.17435	1.7
305.21222	1.5
319.19104	0.6
321.20721	100.0
322.21078	11.9
333.20737	3.7
334.21280	0.9
351.21793	31.4
352.22034	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	352.0802
Annotation	CHEBI:57754
Peak:m/z	Relative Intensity
52.63851	0.1
59.01384	0.5
65.80833	0.1
66.29054	0.1
67.01920	0.2
68.20161	0.1
68.99827	0.2
71.01387	1.5
71.54222	0.1
73.02957	0.1
74.82516	0.1
74.83672	0.1
81.03482	0.3
83.01411	0.1
83.05036	0.2
85.02956	1.3
87.00894	0.4
91.05546	0.2
93.03468	1.9
94.03811	0.1
95.01418	0.2
95.05093	0.1
97.02968	0.2
101.02502	0.1
103.46539	0.1
105.03466	0.1
106.04279	0.3
107.05012	1.0
108.02187	2.3
109.02987	1.1
110.03315	0.1
111.00893	0.9
111.04556	0.2
115.97620	0.1
117.03496	0.2
121.02967	2.9
122.03770	1.3
123.00889	0.5
123.04537	0.4
124.01677	6.9
125.02477	3.0
126.03269	1.3
127.04070	0.7
132.02196	0.4
133.02977	3.3
134.03773	8.4
135.04541	100.0
136.04837	4.9
136.06242	0.1
137.02460	3.7
137.06091	0.2
138.02919	0.2
139.00356	0.1
139.04036	0.9
145.02950	0.7
146.05899	0.7
147.04526	0.2
148.05347	0.4
149.02426	0.4
149.06073	0.4
150.03246	4.3
151.04025	12.5
152.04361	0.7
153.01990	0.1
154.02675	0.2
155.03400	0.1
156.38898	0.1
160.01723	0.5
161.02457	6.1
161.06012	0.5
162.03262	1.4
163.04027	0.6
165.01949	0.1
167.03513	0.4
168.57741	0.1
173.04561	2.8
173.06052	0.2
174.04907	0.2
174.06731	0.1
175.04039	0.2
177.02034	0.2
177.05606	0.5
178.02733	1.3
179.03513	28.4
180.03937	2.1
181.05048	0.6
189.05559	0.5
191.05623	3.6
192.06018	0.2
194.02200	1.4
195.02437	0.1
203.03561	0.2
203.07257	0.2
205.05003	0.2
216.05978	0.1
221.04601	0.1
232.17889	0.1
244.67332	0.1
245.08252	0.2
263.09348	0.2
289.07193	0.2
290.08005	0.5
291.08734	0.2
307.08215	0.8
308.09006	1.8
335.07632	0.1
352.07690	0.2
371.24347	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	352.1768
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
58.02982	2.8
59.01379	1.9
70.91785	1.0
71.01385	0.9
81.03461	1.5
83.05047	0.6
85.02953	2.5
87.00861	0.4
93.03471	1.4
95.05029	2.0
97.06587	0.8
109.02927	0.6
109.06624	0.9
110.09776	0.7
113.02469	0.4
123.04532	1.3
128.10814	8.9
129.11188	0.5
130.08749	100.0
131.09105	3.6
135.04520	2.9
135.08179	1.6
138.10106	0.5
151.11363	0.5
154.08760	1.9
161.02480	1.1
172.09810	3.9
173.04578	1.4
176.04005	1.4
177.09174	0.9
179.03520	1.7
179.07181	1.0
181.08711	0.9
191.05637	13.9
221.08014	0.7
225.09178	0.7
238.21164	0.4
246.18600	1.5
251.10818	0.5
254.13918	0.5
255.13916	1.5
283.13419	0.9
290.17679	3.7
291.18033	0.4
295.09729	0.4
308.18686	14.4
309.15326	0.6
309.19061	1.3
323.09451	0.4
334.16586	6.3
335.07773	0.6
352.17661	35.1
353.13937	5.6
353.18018	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	352.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12868	0.5
59.01376	2.8
63.74533	0.6
68.23487	0.6
70.04539	3.0
79.95744	10.2
80.96543	1.0
95.95242	6.6
96.96018	98.7
135.04538	4.6
143.73264	0.6
151.04074	0.6
152.00235	4.2
152.91734	0.7
179.03534	1.5
184.02934	0.7
191.05617	2.2
194.92848	1.5
194.95470	1.0
212.62390	0.7
284.03445	0.7
295.92181	0.7
308.19031	3.8
310.90811	1.0
352.21646	100.0
353.14874	1.3
353.21991	9.8
370.91400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17566	1.1
54.74352	1.1
58.99610	14.5
68.83854	1.0
70.00186	2.6
80.75666	0.9
82.34035	1.1
89.20182	1.0
102.98606	100.0
103.98985	1.6
107.21210	1.0
121.02969	22.4
127.04025	9.9
135.04562	1.7
137.00674	2.3
169.75658	1.1
191.05577	8.1
318.13037	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	353.0881
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03459	1.0
59.01377	5.2
67.01896	5.6
70.91355	0.9
71.01394	4.3
71.18267	1.8
83.05038	1.6
85.02957	12.4
87.00889	1.7
91.75544	0.8
93.03474	30.5
99.04527	1.3
99.58626	0.8
109.02956	2.5
111.00864	0.9
111.04533	5.8
117.91090	0.9
119.62833	0.8
127.04015	2.8
133.02971	2.5
134.03780	4.7
135.04541	79.9
136.04878	3.6
137.02426	4.9
141.99124	0.9
143.03583	0.9
155.03488	6.2
161.02481	5.0
166.35812	0.8
173.04564	100.0
174.04913	5.3
179.03523	72.8
179.04697	1.4
179.05141	1.5
180.03802	4.5
191.05630	78.3
192.05931	2.3
218.62103	0.8
353.08884	11.7
354.09195	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	353.151
Annotation	CHEBI:70494
Peak:m/z	Relative Intensity
59.01400	10.3
61.98818	2.1
73.38309	1.8
85.02972	3.0
86.06120	37.6
87.04525	5.7
92.05070	96.1
93.03442	3.3
118.02989	2.7
135.04507	3.5
136.04050	94.1
137.04381	5.1
143.45169	2.0
144.04576	2.5
147.05649	4.8
152.91840	2.6
173.04625	4.7
179.03474	3.1
191.05632	32.5
194.92853	2.9
216.10297	13.6
222.09251	90.9
223.09584	8.3
239.11899	4.6
251.10820	6.1
265.09579	2.6
295.09686	5.9
309.16064	8.7
353.15060	100.0
354.15469	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	353.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50909	0.4
59.01376	1.6
62.59627	0.5
65.35894	0.5
69.52511	3.7
79.95741	9.9
80.96525	1.0
94.98080	0.9
95.95244	2.0
96.96020	83.5
97.95975	0.5
98.20200	1.7
122.97597	5.5
177.09152	0.8
191.05606	0.9
205.01627	0.5
217.67780	0.5
230.09972	0.5
310.96832	0.5
353.20047	100.0
354.20413	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	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
55.41311	0.2
59.01398	0.3
79.95718	0.3
96.96023	2.4
98.20676	0.5
122.97610	0.2
147.08185	0.4
148.08789	0.2
155.02461	0.2
161.06137	0.3
163.11302	95.6
164.11626	6.5
177.09224	75.3
178.09555	5.2
190.10121	0.2
194.05794	0.3
222.09029	0.4
312.33704	0.2
324.20813	0.2
353.21219	100.0
354.21576	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	2.7
59.01382	1.6
69.95091	5.2
78.03498	4.3
81.33923	1.2
93.03479	5.1
93.04384	1.0
96.96021	2.5
102.70508	1.2
102.98611	15.3
119.05054	1.4
122.02496	100.0
123.02840	3.2
125.95625	1.1
127.03944	1.9
133.02953	3.2
135.04521	4.4
137.02377	1.1
150.03203	2.1
160.01721	1.9
162.03262	1.9
163.03940	1.1
165.05533	2.5
166.56154	1.2
173.04581	3.3
175.03975	3.0
176.04070	17.0
176.54234	1.7
177.02029	1.4
179.03532	5.4
191.05649	7.2
191.66974	1.1
192.06064	1.4
193.05022	1.6
195.06638	3.2
258.06409	4.4
311.16229	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	355.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84532	3.4
59.01379	10.3
69.26923	6.8
69.27334	26.4
69.38813	3.8
71.01402	13.8
72.06281	3.2
73.02941	3.8
85.02975	11.0
87.00443	5.2
87.00883	27.9
89.02443	6.0
96.96026	100.0
99.00941	5.3
101.02473	6.0
103.02280	5.7
105.03802	53.8
111.31059	3.9
113.02470	4.6
128.03546	12.9
134.03764	15.8
161.04543	6.6
167.72197	3.9
175.04408	5.9
183.99313	37.1
191.05637	9.0
192.00691	8.7
193.01328	4.0
193.05066	9.3
198.98006	8.2
213.12512	26.6
226.00360	38.1
228.79379	3.9
249.06174	17.9
267.03864	3.6
295.40921	5.1
311.09268	45.8
355.06757	13.8
355.10760	29.7
374.15240	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	355.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29617	0.8
54.40972	0.8
58.99611	33.5
59.01377	1.8
65.00320	2.0
69.94481	3.5
70.51400	0.8
71.01358	1.1
71.05028	4.7
74.99104	8.9
76.86689	0.7
83.01377	1.2
85.02964	0.7
87.00887	2.5
93.03476	1.8
101.04313	4.8
102.98608	100.0
103.99005	2.0
106.02393	0.8
107.01406	1.9
117.03812	8.4
121.02965	13.4
123.59438	0.7
135.04544	1.6
137.02460	0.9
137.05995	0.9
151.00407	5.0
159.41647	0.8
161.02608	3.6
162.00270	1.6
163.04367	55.2
164.04671	1.7
169.87682	0.8
173.04552	3.3
174.00240	0.7
176.01775	0.8
176.04094	4.8
179.03474	2.9
189.05864	4.2
191.05521	1.2
195.13940	0.9
204.01268	14.6
205.05382	5.7
232.59325	1.1
233.04903	9.4
235.37871	0.8
267.03036	1.1
275.06964	0.9
282.04047	5.2
287.00220	0.9
314.01221	2.5
323.04474	1.5
335.07660	1.1
355.08612	9.6
355.17313	1.0
356.02350	48.7
375.27432	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	355.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11150	0.7
52.13440	0.6
54.03489	0.9
57.73634	0.7
58.99612	32.0
59.99932	0.9
69.42921	6.0
71.05029	3.8
74.99107	8.3
77.77213	0.7
87.00919	1.6
93.03439	1.9
98.19888	1.0
101.04324	6.1
102.98611	100.0
103.98985	1.7
109.84148	0.7
117.03800	4.6
121.02975	13.4
122.36581	0.7
134.03751	0.8
135.04555	1.1
136.53075	0.8
152.93855	0.7
161.02637	2.8
163.04375	48.8
164.04678	2.2
173.04559	2.4
179.03572	0.9
189.05959	3.6
205.05435	3.9
213.15048	1.3
233.04950	4.5
320.99780	0.8
335.07697	2.3
342.67310	0.7
355.08545	9.7
356.08905	1.2
375.27545	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	355.1038
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
50.60879	0.5
59.01375	1.9
60.89038	0.5
71.01400	1.3
71.30457	1.3
74.35301	0.6
84.04542	0.9
89.02475	0.6
90.52603	0.5
93.03488	1.0
96.96004	1.4
106.69440	0.6
110.06100	0.9
111.04535	0.6
116.73990	0.6
121.02962	1.9
121.06712	0.5
128.03546	1.8
132.02179	2.1
133.02925	1.7
134.03761	60.4
135.04086	3.5
137.02460	7.8
138.02774	0.7
139.03998	2.6
149.02379	0.6
149.06097	17.8
150.03212	1.0
150.06415	1.1
155.11926	0.7
160.01675	8.2
175.04025	12.2
176.04333	0.6
178.02731	35.1
179.03108	2.0
181.09833	0.9
189.88290	0.6
191.05602	1.8
192.06013	0.9
193.05060	100.0
194.05418	7.0
194.48163	0.6
199.10912	3.1
213.12469	0.9
217.05121	0.6
235.06226	0.7
302.24216	0.6
311.16104	1.7
355.10303	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	355.1037
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.87558	0.5
59.01382	8.5
69.38255	1.7
69.38680	1.9
71.01389	4.3
83.05049	0.6
84.04552	1.0
85.02966	1.2
87.00893	0.7
87.32518	0.5
89.02459	2.7
96.96004	0.5
101.02457	2.1
110.06118	0.9
111.04511	0.8
113.02441	1.5
113.69108	0.5
119.03506	0.8
121.02975	0.6
123.04472	0.5
128.03529	2.4
128.06563	0.5
129.34630	0.5
132.02191	14.2
133.02823	0.7
134.03764	9.7
135.04469	0.5
149.02432	0.6
149.06102	2.3
155.11884	0.9
160.01677	64.1
161.02008	4.1
161.04349	0.5
173.04712	0.6
175.04018	100.0
176.04352	7.8
176.54210	0.8
178.02751	1.4
181.09932	1.2
187.39697	0.5
191.05595	1.1
191.07150	1.6
193.05069	17.0
194.05394	1.4
199.10854	2.9
202.02705	0.8
207.06564	0.5
217.05095	5.8
235.06082	3.3
252.06364	1.0
265.07214	0.9
267.08774	1.7
295.08212	1.2
311.16260	2.3
355.10263	4.3
355.14185	0.6
356.10434	0.7
358.68506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.87849	1.0
63.06788	0.9
63.27314	1.0
69.16028	10.4
85.02972	1.5
98.20692	2.4
101.06096	1.4
103.39388	1.3
107.05035	1.5
109.02928	2.0
110.74352	0.9
122.03757	9.2
123.76020	1.0
127.07692	1.9
135.04549	27.4
136.01663	2.8
147.08156	3.3
149.06108	1.9
149.09741	7.9
151.07721	1.7
154.02710	2.9
161.08464	1.4
161.09727	10.2
163.07626	3.6
163.11305	52.4
164.08432	15.8
164.11610	2.9
165.09201	8.6
177.09222	66.8
178.09970	20.8
179.10789	77.2
180.11169	6.2
183.10306	2.9
187.11281	1.5
191.10785	12.1
193.08707	8.9
222.97398	1.0
280.14725	2.7
298.15768	51.1
299.16049	6.2
307.17087	1.7
311.16623	1.1
337.21759	49.4
338.21933	6.5
340.20441	80.6
341.20758	11.8
355.22812	100.0
356.23093	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	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
54.30913	0.8
59.01381	1.1
63.25884	0.7
65.81508	0.8
71.53176	1.0
147.08130	2.4
161.09753	1.5
163.11304	3.2
265.12366	0.9
280.14655	5.4
307.17056	2.4
311.16794	0.9
321.18735	1.8
322.19067	1.7
337.21765	100.0
338.22110	13.9
355.15610	1.3
355.22821	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	355.2494
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
59.01378	1.9
70.31067	2.0
71.01382	0.8
71.05037	1.0
96.96085	0.6
97.06614	2.9
102.15029	0.5
113.06118	0.6
125.09721	0.7
128.62717	0.6
129.40887	0.5
139.11243	0.6
153.12874	2.0
183.17531	1.0
227.16537	5.0
237.09525	0.7
239.16554	4.8
295.10199	0.6
295.22803	1.7
296.78290	0.6
307.22803	1.7
309.14984	0.7
311.16559	1.3
319.22754	1.8
325.23871	22.3
326.24200	3.3
337.23944	1.8
355.24918	100.0
356.25259	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	356.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99254	14.0
56.37842	12.9
59.01387	16.6
61.98847	12.8
69.19728	61.7
69.20155	71.6
72.21217	14.5
83.10560	14.6
83.62870	12.9
89.32276	13.5
112.16772	12.7
114.57256	14.6
121.02958	42.7
192.95926	20.5
270.83862	15.4
288.15918	25.7
357.20645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24920	6.7
56.14347	7.3
58.64299	7.4
59.01375	11.4
61.98835	100.0
69.34875	51.9
93.03481	8.5
116.06952	6.9
121.02994	40.8
147.04538	13.5
192.95874	11.2
251.65994	7.7
357.06238	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	357.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31360	0.2
56.32825	0.2
59.01382	1.8
63.02400	0.9
64.54566	0.2
64.94942	0.2
65.00330	2.9
69.78555	1.3
71.01393	0.3
72.73702	0.2
77.97659	0.2
83.01395	2.2
93.03465	0.7
99.92653	0.3
101.02406	0.3
105.03477	0.9
107.01398	6.0
108.08294	0.3
109.02979	0.3
116.92880	4.8
117.92892	0.3
121.02989	1.6
125.02459	1.3
131.01447	0.4
132.02251	0.5
133.02968	25.4
134.03249	1.3
135.04553	0.5
136.01675	2.9
137.02466	0.4
143.05034	0.3
145.02977	0.4
145.06470	0.4
147.04486	0.4
149.02451	3.8
151.00380	9.9
151.01596	0.6
151.04024	3.6
151.05156	0.4
152.00708	0.4
153.09297	0.2
161.02437	2.4
161.06059	0.3
169.12074	0.3
171.04550	0.8
173.02406	0.3
173.04546	0.7
173.06026	0.3
174.03239	0.3
175.04002	5.4
176.04167	0.8
177.02087	0.3
179.03586	0.3
185.06087	0.5
187.00319	1.4
191.05634	0.7
197.06085	0.5
198.03192	0.8
199.04016	3.9
200.04385	0.4
201.01990	1.9
211.03841	0.5
211.32376	0.2
212.04863	0.4
213.05569	0.8
215.03464	0.8
217.05048	2.8
217.14313	0.3
223.04100	0.6
226.02615	0.3
227.03563	0.2
229.05164	0.4
239.03593	0.4
240.04207	0.2
241.05109	1.7
243.02946	0.9
257.04529	0.6
267.02988	0.7
285.04062	100.0
286.04395	9.7
286.06793	0.3
313.03546	12.2
313.11032	0.4
314.03912	0.9
315.14447	0.3
319.39474	0.3
356.98099	0.9
357.02570	3.2
357.09409	1.3
357.13559	1.0
358.02887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0619
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.50862	0.3
59.01390	1.1
65.96974	0.3
68.66009	0.3
69.19540	3.5
70.71073	0.3
79.00996	0.3
87.34499	0.3
121.02970	100.0
122.03302	4.6
165.01984	1.0
180.05807	1.9
181.06595	6.4
188.07018	0.3
201.19470	0.3
225.05573	6.6
226.05916	0.3
253.95351	0.3
284.38480	0.4
285.78943	0.3
313.07199	7.1
314.07666	1.1
357.06174	31.5
357.26495	1.3
358.06476	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	357.0983
Annotation	Cimiracemate B
Peak:m/z	Relative Intensity
50.15940	0.9
59.01388	4.7
71.01392	5.9
71.53938	1.5
73.02961	1.2
74.99094	2.7
77.71994	1.0
85.02954	1.9
89.03988	2.4
90.17316	0.9
93.03477	6.4
98.02425	1.0
101.02454	1.9
102.98610	1.6
106.04229	1.9
108.00692	0.9
113.02423	1.6
117.03472	10.5
119.05040	95.2
120.05361	3.5
120.99626	1.6
121.02962	3.4
123.04515	1.3
130.08734	2.8
132.05800	1.8
133.02969	1.8
134.03754	100.0
135.04124	4.3
136.99162	1.3
137.02438	2.9
139.03951	0.9
143.50755	1.0
146.03693	2.0
147.04550	7.1
148.05328	6.1
149.02544	1.3
149.06087	7.0
150.03163	1.4
161.02422	1.5
161.04533	1.9
161.06070	2.4
163.04027	72.2
164.04387	5.2
166.08656	1.7
173.04570	6.6
175.03960	1.2
175.61504	0.9
178.02740	6.0
183.10300	1.1
191.05602	2.8
193.05070	60.6
194.05396	3.3
241.08731	1.9
251.07112	1.4
252.07927	2.1
253.08690	12.9
254.09401	6.0
269.08093	1.1
269.11853	5.9
285.04166	3.6
313.10837	51.0
314.11246	5.6
323.16101	4.1
340.18796	1.2
357.09814	78.1
358.10165	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	357.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01571	0.6
59.01371	1.0
65.13493	0.5
67.01865	0.9
69.03471	0.7
70.28767	2.4
71.01371	1.1
73.97735	0.6
78.70194	0.5
87.00897	1.0
89.03953	0.7
91.01898	2.6
93.03462	9.9
94.03840	0.7
96.99309	1.7
98.00133	4.0
98.20038	0.6
101.89452	0.6
102.98599	0.7
108.02223	1.0
109.02955	1.0
111.04529	1.0
117.03472	1.6
119.05038	43.5
120.05355	2.6
121.02972	2.2
123.04539	3.3
131.05011	1.5
132.05827	1.2
133.02945	1.2
134.03755	40.9
135.04559	23.2
136.04878	1.0
137.02444	1.2
141.13097	0.5
143.05060	5.0
145.02942	0.9
146.03786	3.5
147.04541	2.0
148.05272	2.1
149.06087	7.8
155.03499	0.6
158.03700	1.6
159.04543	4.2
160.01608	0.8
161.02414	0.8
161.06087	2.5
163.04022	6.5
164.04425	0.8
173.04581	9.2
173.06000	0.7
176.04001	0.6
177.05591	0.7
178.02692	1.0
179.03555	0.8
183.04472	3.9
183.10231	1.8
184.02449	0.6
187.03873	0.6
191.05542	1.1
193.05034	3.9
195.04465	0.9
196.05289	1.0
203.93777	0.6
211.07622	4.0
218.02194	0.7
222.06744	0.6
226.06430	2.1
235.07635	1.4
239.07135	0.6
241.08728	1.3
250.06305	0.8
251.07150	10.9
252.07892	4.7
253.08672	11.5
254.09390	5.9
255.06566	0.7
257.08282	0.7
263.07028	0.9
265.08780	0.7
267.10300	0.9
279.06689	3.1
280.07410	7.2
281.07870	0.8
295.09662	4.1
313.10855	23.7
314.11111	2.0
323.16211	1.1
324.06430	1.3
329.77808	0.6
339.08810	2.5
357.09811	100.0
358.10202	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	357.1195
Annotation	Brasoside
Peak:m/z	Relative Intensity
56.98039	1.3
57.03448	0.6
59.01387	4.0
69.35005	1.2
69.35410	3.7
71.01393	7.8
72.81889	0.5
73.02958	1.8
83.01385	1.5
85.02943	3.5
87.00874	0.8
89.02464	0.8
93.03503	1.0
95.01430	0.7
96.96007	1.3
97.02972	0.6
98.19920	0.8
99.00906	1.1
99.04540	1.1
101.02467	4.9
108.02205	0.6
109.02956	2.0
113.02477	4.4
116.07240	0.7
118.75578	0.6
118.98064	0.7
121.02952	0.7
121.06577	0.6
123.04539	3.2
125.02478	3.6
128.03572	0.9
129.00166	1.1
134.03748	0.5
135.04532	4.2
136.05315	1.3
137.06125	3.0
149.06082	2.7
150.06883	100.0
151.04027	1.5
151.07251	6.1
152.01166	0.6
153.01953	1.6
159.03036	1.5
161.04588	6.7
165.02235	0.7
165.05652	2.5
167.03511	1.2
169.28049	0.6
175.07626	0.9
177.05637	1.1
178.06366	1.3
191.05623	0.6
193.08728	4.7
194.05583	0.7
195.02972	0.5
195.06812	1.2
205.08704	1.1
238.66792	0.8
357.08060	1.1
357.12000	10.2
358.12381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1196
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
56.98038	7.8
59.01386	36.8
61.98841	4.1
62.42656	1.7
69.03454	1.7
70.80937	1.6
70.81292	3.5
71.01390	14.9
71.61636	1.5
72.99321	7.6
73.02981	3.6
74.99110	1.3
83.01385	2.4
85.02956	4.9
87.00887	5.9
89.02452	6.3
91.01900	2.2
93.03484	1.7
95.01407	1.7
96.96027	5.2
98.00108	2.0
99.00926	1.4
101.02431	6.7
107.05022	1.2
108.02198	8.2
109.02970	8.2
110.12287	1.3
111.00877	2.4
112.85982	1.2
113.02451	4.9
116.07155	2.4
117.76688	1.3
118.98107	9.0
119.03504	2.3
119.04994	2.0
120.99756	1.1
121.02980	2.9
123.00880	3.0
123.04546	13.8
124.01669	3.8
124.62993	1.6
128.03566	2.8
129.00180	9.5
130.08722	7.0
134.03784	7.0
135.04552	8.2
136.05325	8.6
150.03206	1.5
151.03993	4.3
151.07692	4.6
153.01971	3.5
161.02438	1.8
161.04607	1.9
162.03242	31.5
163.03839	2.1
164.04897	3.7
165.02267	5.2
165.05615	1.4
166.08672	2.3
167.03506	11.2
173.04655	1.9
177.01941	4.0
177.05579	10.0
178.02649	1.8
179.03522	12.6
179.07155	4.0
180.04315	9.5
191.05574	2.8
193.05074	3.9
195.06651	100.0
196.07072	7.3
228.17224	3.4
235.02855	4.6
250.25452	1.3
267.08771	2.2
342.09543	3.8
357.11987	87.3
357.21576	4.4
358.12274	10.0
358.19916	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	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
56.98053	3.9
57.03450	1.3
58.00584	2.0
59.01385	41.7
60.84024	0.8
61.98843	4.2
70.40244	2.1
70.40556	0.9
71.01389	21.5
72.99314	4.4
73.02950	0.8
80.00846	0.7
83.01396	2.4
84.10043	0.7
85.01217	1.2
85.02963	5.2
87.00909	1.7
89.02463	18.3
93.03501	1.3
93.62849	0.8
95.01407	1.9
96.96018	1.6
99.00884	0.9
100.44198	0.8
101.02452	12.4
108.02207	0.8
109.02972	0.8
113.02456	7.5
114.05631	0.8
116.07188	2.8
118.98091	3.5
119.03542	6.2
121.02996	1.2
123.04576	1.4
129.00195	2.6
129.10242	0.9
130.08788	4.2
133.02898	1.4
134.03746	3.0
135.04521	3.0
136.05357	1.9
137.02538	0.8
151.04019	2.4
152.01143	0.9
152.07167	1.4
159.02959	1.7
161.02480	3.2
162.03244	64.8
163.03816	4.3
165.02176	2.5
171.87132	0.8
173.04593	1.2
177.05585	100.0
178.05914	6.5
185.16573	3.1
191.05623	1.8
193.05060	2.5
195.06680	19.4
196.06984	1.3
197.04459	0.8
228.17178	1.8
242.18979	1.1
250.39117	1.0
295.11551	0.8
307.55258	0.8
357.12338	1.7
357.21582	6.1
358.20068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46434	0.3
57.03447	1.5
59.01389	1.8
67.01904	4.6
69.03470	3.0
69.90681	0.7
69.91103	1.2
71.01381	3.0
80.04216	0.4
81.03470	1.1
82.50799	0.3
83.05041	1.3
85.02985	0.5
93.03468	27.4
94.03816	0.8
96.99343	0.4
98.20541	0.7
108.02227	0.4
109.02943	1.0
111.00894	1.1
111.03815	0.5
111.04530	4.8
111.08142	0.5
119.05048	2.2
123.04543	0.4
125.25500	0.3
127.04027	0.6
132.89685	0.3
134.03758	2.7
135.04533	1.3
137.02461	5.1
137.03427	0.6
139.11317	2.0
149.02464	0.9
155.03528	4.6
156.03755	0.4
173.04562	100.0
174.04901	4.3
176.04015	0.4
183.10266	8.8
184.10544	0.6
202.50015	0.3
203.74887	0.3
207.32095	0.3
213.14595	0.4
224.42068	0.4
251.07124	0.8
252.08051	0.3
253.08684	0.6
280.07281	0.4
295.09619	0.4
313.10794	1.4
357.09851	5.3
357.15546	6.0
358.09946	0.9
358.15921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01384	2.8
60.99307	0.4
65.15222	0.3
67.01895	5.1
69.03463	1.3
70.19197	0.3
71.01385	3.1
71.05019	0.4
71.17101	0.3
71.55148	0.5
72.71402	0.3
74.99104	1.1
81.03479	0.7
82.22373	0.3
83.05055	1.6
85.02950	0.5
87.00872	0.8
93.03468	26.1
94.03818	1.0
109.02945	0.5
109.61687	0.4
111.00900	1.2
111.04532	5.1
113.02457	0.4
118.98113	4.9
127.04035	0.6
134.03693	0.4
135.04533	1.4
137.02464	4.7
147.43306	0.4
153.09225	1.1
155.03522	5.1
173.04564	100.0
174.04904	4.6
179.03503	0.9
183.10286	14.9
184.10583	1.1
191.05626	2.5
285.11237	0.5
313.11005	0.5
339.09259	1.0
344.45871	0.4
357.10281	2.2
357.15564	8.2
358.15915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
56.98030	1.8
57.03452	6.4
59.01386	12.8
60.77526	0.5
69.03461	12.8
69.21845	5.4
71.01391	11.8
71.05028	3.2
72.99326	1.3
73.02940	1.7
83.01397	1.8
83.05031	1.8
85.02953	4.5
87.00885	1.4
89.02454	6.9
93.03465	6.0
95.01382	1.0
96.95988	0.7
98.20618	0.9
101.02453	6.0
105.99924	0.6
109.02995	0.5
111.04529	4.9
111.08155	2.3
113.02454	5.2
113.06103	2.4
118.98053	0.8
119.03531	2.9
121.03001	0.9
123.08167	1.5
128.03528	0.8
129.00192	1.0
130.08730	1.7
135.04478	0.6
137.02451	2.9
139.11305	17.8
140.11725	0.7
143.03474	1.1
155.03529	5.1
161.04559	2.7
165.02180	0.6
173.04538	8.2
176.04080	0.7
177.09204	2.5
179.03490	0.8
179.05583	0.8
183.10271	100.0
184.10606	6.5
189.34821	0.5
191.05655	1.2
195.06485	0.6
195.10263	0.9
201.60400	0.6
226.11937	1.2
242.90228	0.6
261.42566	0.5
321.03604	0.6
321.15649	0.7
340.18997	0.7
357.11713	2.9
357.15616	10.0
357.20355	0.8
357.21640	0.6
358.15988	2.1
375.12772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01716	1.2
63.30540	0.6
71.01388	4.9
73.02943	1.6
74.63960	0.6
82.68803	0.5
85.02954	3.8
89.02486	0.5
95.01374	0.7
99.00913	0.5
101.02461	3.1
111.91423	0.5
113.02482	1.8
161.04619	2.2
256.72516	0.6
277.08633	0.8
315.18207	0.9
357.26669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2647
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03453	1.0
59.01402	1.7
59.08029	0.8
61.29061	0.6
71.05017	0.8
71.58824	0.7
87.92709	0.7
109.02985	0.8
121.02971	5.8
121.10282	0.9
133.80659	0.7
135.85236	0.7
159.37247	0.8
180.51347	0.7
192.95930	1.3
198.95639	0.8
199.13423	7.0
295.01123	0.7
297.24332	2.5
309.24335	1.1
311.22375	1.7
311.25830	1.1
325.24185	1.6
327.25394	14.7
328.25864	2.1
339.25412	3.3
357.06210	1.8
357.26483	100.0
358.26813	13.4
366.24765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.1
67.31992	16.8
67.40054	14.1
69.21121	100.0
69.21531	38.5
88.90782	13.4
91.60385	15.8
102.54230	16.2
108.88818	15.2
115.86246	13.1
121.03003	15.1
124.33115	14.1
319.67059	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	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15953	0.4
51.18898	0.4
59.01385	83.1
60.01724	1.3
61.98835	0.6
70.66337	0.5
70.66655	0.8
72.99323	1.1
74.42918	0.4
90.97144	1.1
107.67055	0.4
118.96644	0.7
127.25987	0.4
132.98238	2.0
135.50627	0.4
157.03584	3.2
159.01550	0.7
164.22035	0.4
174.99266	21.4
175.99701	0.5
201.02568	27.4
202.02795	2.7
217.00313	100.0
218.00679	4.4
226.13605	0.5
242.57585	0.5
274.99652	0.9
317.00635	1.1
318.00708	0.6
359.01614	7.2
360.01727	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01384	0.6
61.75011	0.5
63.03115	0.7
67.42319	0.5
71.01379	1.1
71.42913	1.2
85.02923	0.6
90.08690	0.6
95.01383	3.6
96.96059	0.6
111.31615	0.5
123.00892	41.7
124.01215	1.6
126.02335	0.5
138.03236	48.8
139.03589	2.2
153.05588	18.7
154.05937	0.7
166.99881	11.5
182.02222	39.5
183.02557	1.3
187.71561	0.5
197.04561	100.0
198.04900	5.4
283.01624	0.6
359.09805	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	359.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37830	0.4
57.03454	0.8
58.00601	0.6
59.01383	2.2
60.99289	0.5
67.01897	4.1
69.03469	0.7
69.28373	3.8
71.01395	3.5
73.02966	0.4
81.03466	0.8
83.05026	1.0
83.93781	0.4
85.02946	0.8
87.00884	0.5
93.03471	24.8
94.03815	1.1
98.20723	0.9
99.04489	0.5
109.02951	1.0
111.00887	0.9
111.04515	4.5
120.70238	0.5
127.04005	0.9
137.02446	4.8
139.11292	0.7
147.03273	2.0
155.03510	5.4
161.02438	0.7
173.04562	100.0
174.04893	4.4
185.11838	12.3
186.12021	0.5
187.08881	0.5
191.05510	0.4
211.13419	0.4
227.04593	0.9
241.14490	1.0
243.07706	1.8
255.07863	1.1
271.10858	0.9
359.08682	4.1
359.17151	7.5
359.21265	0.9
360.08615	0.5
360.17563	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	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.4
59.98504	0.2
71.16445	0.5
74.65237	0.2
83.27135	0.2
115.37668	0.2
127.07632	0.3
129.80109	0.3
162.42651	0.3
182.14325	0.2
233.22757	0.3
237.42458	0.3
259.20541	0.4
263.79788	0.3
275.20187	0.4
277.21738	100.0
278.22092	12.0
357.79254	0.3
357.83524	0.2
358.98798	0.2
359.22067	15.7
360.22305	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	361.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32008	1.6
59.01386	20.3
70.98875	4.3
71.01391	9.8
73.02953	4.3
74.99143	2.1
79.95775	2.4
81.34953	1.9
83.01379	2.3
85.02957	4.8
86.86809	1.6
87.00869	2.3
89.02474	5.8
91.88634	1.4
92.08124	1.8
96.96026	48.0
99.92583	4.0
101.02472	5.4
111.04543	2.2
113.02436	3.8
115.92065	5.0
116.92886	2.1
119.05039	85.7
120.05379	3.4
120.99683	1.9
133.23901	1.4
134.06190	2.0
137.09813	1.9
140.07196	5.2
145.02907	1.7
155.35599	1.5
161.02451	2.0
161.04630	2.0
163.04024	100.0
164.04369	4.8
173.04538	2.8
191.05602	2.5
268.27539	2.2
325.09308	6.1
361.05838	7.9
361.09677	19.5
361.14938	8.7
362.09793	1.8
365.43909	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	361.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37248	0.6
57.03448	4.3
59.01386	5.7
64.05624	0.5
65.03976	1.4
70.23248	1.9
71.01414	0.6
73.65051	0.8
77.02339	0.6
79.95747	1.6
83.04600	0.6
83.05038	3.9
85.02965	0.7
86.62875	0.6
87.00877	4.7
88.05976	0.5
89.02470	0.7
93.03442	0.7
95.01417	0.7
95.05029	0.7
96.96020	57.2
101.02390	0.8
111.04521	2.6
111.08186	1.6
113.02419	0.6
119.08585	0.6
120.99642	0.6
121.06613	2.1
123.08178	13.9
124.05322	0.8
124.08521	0.7
125.09776	0.6
137.09779	1.8
138.05746	0.6
139.07677	1.9
145.03003	2.0
145.10280	1.8
151.07666	1.2
153.09239	1.4
157.56053	0.5
169.08777	1.1
169.10242	1.4
171.11810	14.1
172.12120	1.2
189.12898	4.9
201.12900	3.8
207.13927	2.6
219.13959	1.5
222.17787	0.6
237.12587	0.9
237.14958	14.7
238.15413	1.1
281.13968	21.2
282.14319	1.9
361.09650	100.0
362.09964	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	361.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97068	2.1
59.01388	100.0
69.34561	7.5
69.34982	6.3
71.01388	2.4
82.32209	1.7
83.05048	4.5
86.52139	1.7
93.03478	5.9
96.96040	2.4
111.04505	2.6
133.03003	4.3
135.04539	5.1
140.59648	1.8
152.71643	1.8
161.02422	10.7
173.04568	12.4
176.04039	7.1
179.03458	5.6
191.05673	2.6
209.11847	97.9
210.12187	7.9
217.10847	2.3
227.12929	4.8
269.86221	1.8
279.59320	1.8
361.07193	2.0
361.22232	2.3
361.26126	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	361.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
69.03462	3.4
71.01393	14.5
73.02966	5.0
83.01398	3.8
83.05070	2.4
85.02952	6.1
87.00893	2.5
89.02454	4.1
90.03722	2.1
93.03491	12.7
96.37703	2.0
96.96033	5.5
99.04545	7.0
101.02457	7.7
104.71198	2.1
109.00617	2.1
109.02979	8.9
113.02493	4.9
113.86594	1.9
121.02970	16.7
122.03781	10.6
123.04509	3.5
128.99991	2.4
133.02963	4.6
135.04532	14.1
136.05142	2.5
137.02504	5.1
147.04544	7.5
155.03491	2.5
160.43910	2.1
161.02448	12.8
161.06108	4.4
165.05577	20.4
173.04591	16.3
173.08289	3.0
176.04015	18.8
176.54198	3.5
179.03519	9.4
179.07155	5.9
183.10286	2.0
191.05638	8.7
192.06105	2.2
199.13466	5.6
209.11856	87.7
210.12173	5.9
227.12900	4.4
245.51042	2.7
283.09726	2.0
301.10846	3.6
335.07791	3.0
343.96967	2.1
346.14221	6.2
347.54770	2.1
361.16721	45.7
362.16861	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	361.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	19.3
60.40449	0.2
70.36562	0.5
70.36929	0.5
96.98463	0.3
101.08022	0.3
253.12352	0.2
261.22238	0.6
279.23312	100.0
280.23663	13.5
361.15585	3.6
361.23605	17.0
362.15628	0.5
362.23929	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	361.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33774	12.2
59.01389	100.0
88.48505	12.3
98.20741	28.8
107.21531	12.3
114.83509	12.4
141.62469	12.1
146.95921	12.9
169.47371	11.8
187.27692	13.9
215.50415	12.1
302.43356	14.1
305.33966	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	362.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
62.77767	1.0
67.01894	4.7
68.65040	0.8
69.03468	1.5
70.08215	1.0
70.08555	3.7
72.04578	1.6
72.99302	1.6
73.02939	1.0
79.95733	1.6
80.96514	1.1
84.04568	2.2
85.02959	18.9
86.02473	1.2
93.03472	2.2
96.96034	5.4
98.20569	1.4
117.05269	1.1
121.02973	47.5
122.03283	2.4
126.95296	5.8
128.07188	2.6
128.94890	1.3
129.01961	4.0
133.02977	1.4
135.04480	1.0
140.07147	1.1
149.49533	0.9
152.10828	5.8
161.02449	2.8
161.61824	1.0
168.10327	3.3
173.04576	2.7
176.04054	2.7
179.03479	1.4
183.13853	1.0
191.05692	1.1
196.09801	100.0
197.10165	7.5
200.08719	1.2
226.12343	1.1
227.12848	1.1
240.08833	5.7
258.12204	1.4
259.03384	1.1
282.08823	1.5
283.13504	1.8
286.11743	2.5
318.13315	1.9
354.43604	1.1
362.04480	1.2
362.13245	2.0
363.08881	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	363.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08383	0.8
59.01383	8.5
61.28019	0.7
66.03497	0.8
71.01391	3.9
72.99306	1.2
73.02959	0.9
83.01390	1.0
85.02959	2.9
89.02445	2.5
90.49393	0.7
95.05052	0.9
96.23286	0.8
96.96028	1.7
101.02444	3.4
108.04555	5.8
111.00891	0.9
113.02451	1.8
118.52697	0.7
118.98030	0.8
119.03529	1.5
120.04550	0.8
121.05344	2.1
122.06130	1.3
123.03276	10.0
136.07690	18.3
138.05626	41.7
139.05974	1.5
151.04005	1.0
161.02495	4.0
165.61574	0.7
170.45282	0.8
176.04774	1.6
179.03519	7.3
182.04614	1.8
183.10266	6.2
184.07693	1.3
191.07178	1.7
194.05876	7.0
199.10097	1.2
200.05969	2.0
201.11366	2.5
209.08205	13.3
210.08490	0.9
212.05946	2.2
214.12486	3.6
227.08270	17.2
228.08618	1.8
242.10623	15.7
257.12967	100.0
258.13284	8.5
345.10870	9.5
346.10971	1.2
363.12067	2.2
363.16571	17.8
364.17136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73590	0.7
57.03445	1.6
59.01386	14.3
65.99849	2.7
71.01396	4.8
71.54230	1.5
73.02953	1.4
82.02994	37.5
83.01392	4.3
83.03365	0.8
83.05042	1.4
85.02954	7.6
89.02457	2.2
92.05069	1.3
93.03481	1.5
94.02976	3.6
95.69749	0.8
96.96024	1.1
99.00914	0.8
101.02438	3.4
102.98603	2.2
110.02486	1.5
111.00894	2.3
113.02444	2.6
119.03484	0.9
120.04605	1.2
121.01688	0.8
121.10263	1.0
122.02471	3.0
122.06116	6.3
129.01945	1.7
134.02414	0.7
136.04062	29.4
136.07675	1.5
137.04362	0.7
138.05554	1.1
139.11343	2.0
150.05569	1.2
152.03525	1.5
157.12358	0.9
159.10313	1.0
160.07681	1.2
161.02435	1.0
161.07191	1.5
163.08842	0.7
164.03554	39.7
165.03899	2.8
173.04633	1.6
173.06067	2.9
176.03909	1.0
176.07187	2.0
177.10347	0.9
178.08635	1.1
180.02966	1.4
182.04689	1.6
183.10245	3.2
185.06416	0.8
186.06926	1.9
188.07274	0.9
191.05658	1.5
191.07170	3.2
194.04591	20.4
195.05325	5.8
196.06163	24.2
197.06483	1.6
201.09286	1.3
201.11304	1.9
202.08833	2.3
204.06686	1.8
205.03505	2.4
216.10294	0.8
217.06183	1.7
223.04689	1.0
228.06602	1.0
229.06180	1.3
231.07808	2.6
231.14928	0.8
235.06105	1.2
243.11455	0.8
244.09903	5.8
245.09377	2.6
258.06393	2.7
259.07178	1.5
259.10825	2.0
269.09531	1.7
270.07666	4.4
271.07339	1.8
272.07999	1.7
275.09308	1.9
287.10400	100.0
288.10770	10.0
291.09787	2.1
303.14157	0.9
313.08356	2.8
319.12927	2.7
321.15552	2.6
331.09375	36.5
332.09692	4.4
363.11758	6.2
363.16577	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01715	1.4
66.17049	1.4
71.01391	3.0
73.02949	2.1
83.01408	1.6
89.02459	1.3
90.95535	1.4
91.98837	1.1
93.03445	1.5
101.02435	2.9
111.04539	1.4
135.04520	5.2
136.06120	1.2
136.07724	8.3
161.02405	2.2
161.04633	1.6
173.04608	3.9
176.04024	9.1
176.54092	1.6
179.03508	5.1
191.05603	3.1
229.14487	2.8
230.14410	2.2
297.10251	1.2
335.07895	1.3
363.23816	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	363.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68118	3.7
58.29582	3.7
59.01381	19.7
61.12489	3.8
61.98829	42.9
68.37720	3.7
69.19633	10.2
69.20034	27.7
113.09754	10.2
125.09742	4.5
127.11328	6.2
142.98795	3.8
147.83429	4.8
155.48688	3.8
171.10197	5.3
181.00099	3.9
201.11348	49.6
202.11664	4.3
208.01924	4.3
213.11287	22.9
309.20813	9.5
327.21854	100.0
328.22189	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	364.1553
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
58.02987	1.6
59.01383	3.6
61.98833	0.9
69.75279	4.2
70.02985	14.2
71.01391	1.2
71.05029	17.4
72.00914	1.2
78.95923	4.2
79.44947	0.8
83.54749	0.6
85.10606	0.9
85.88601	0.6
86.02477	8.3
87.00888	0.8
87.05642	8.1
96.40110	0.6
96.96025	14.4
96.96966	8.6
98.20721	0.8
99.04513	5.5
101.02465	0.7
115.05146	2.1
116.07201	4.4
128.03548	2.7
129.05609	1.9
129.49716	0.6
130.03339	12.1
131.03729	0.9
146.08243	100.0
147.06024	4.1
147.08580	3.0
147.92001	0.7
163.17299	0.7
175.11525	0.8
183.43646	0.6
217.11954	20.4
219.31091	0.7
245.11322	1.3
253.73114	0.7
267.09296	0.8
277.12289	53.7
277.59186	0.9
278.12692	4.2
364.15506	65.2
365.05191	2.2
365.15775	7.2
384.43289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9973
Annotation	Kaempferol 7-O-sulfate
Peak:m/z	Relative Intensity
59.01384	3.0
63.02381	0.2
65.00326	0.9
79.35630	0.2
81.49876	0.2
82.44684	0.2
83.01392	0.6
83.37841	0.2
85.02969	0.4
85.36981	0.2
93.03468	0.8
96.96030	0.4
97.06600	0.3
101.02448	0.2
105.03468	0.3
107.01398	1.8
119.05039	0.5
121.02951	0.4
132.02184	0.2
133.02963	9.9
134.03317	0.3
135.04517	0.8
137.02495	1.1
143.04961	0.2
149.02431	1.9
150.16086	0.2
151.00386	5.9
167.05139	0.3
169.06621	0.2
171.04614	0.4
171.10289	5.7
173.04561	0.7
175.04013	3.2
176.04092	0.9
179.03511	0.3
191.05559	0.4
193.08492	0.8
197.06082	0.3
198.03282	0.5
199.04013	2.1
199.07710	0.4
201.01964	0.9
211.04099	0.3
213.05577	0.5
215.03514	0.3
217.03320	0.5
217.05093	1.7
218.03792	0.3
223.04012	0.4
241.05106	0.7
243.02972	0.6
257.04651	0.6
267.02954	0.5
277.05359	0.3
285.04068	100.0
286.04404	10.4
316.57175	0.4
364.99728	8.9
365.04092	0.5
365.19952	0.7
365.99985	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	364.9975
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
59.01387	8.0
61.98819	1.2
63.02395	0.5
65.00335	1.5
71.01394	1.0
71.54395	0.5
73.02953	0.6
79.95746	2.5
80.96528	4.6
83.01399	1.2
85.02941	0.9
87.00861	0.6
89.02454	0.4
93.03490	2.2
96.96010	0.4
101.02438	1.1
105.03477	2.4
107.01413	2.9
113.02499	0.5
121.02964	1.9
123.04501	0.6
125.02505	0.8
125.55263	0.4
133.02962	9.5
134.03294	0.5
135.04521	1.5
135.08267	0.5
137.02417	1.3
149.02460	3.5
151.00377	7.2
152.00645	0.5
155.22563	0.4
159.04590	0.4
161.02434	0.6
172.66257	0.4
173.04578	1.2
175.04042	2.4
176.04060	0.7
179.03502	0.7
183.88098	0.4
185.05998	0.6
185.92711	0.5
189.05643	0.4
191.05583	1.4
198.03149	0.4
199.04021	2.6
200.04485	0.4
201.01907	0.8
211.04106	0.8
212.98645	5.1
213.05286	0.4
215.03532	0.8
217.05011	1.9
223.04004	0.6
227.03479	0.6
229.04956	0.6
239.03615	0.7
241.05011	1.1
243.03011	0.9
255.03044	7.5
256.03259	0.6
257.04562	0.7
267.02997	0.5
283.02539	2.5
284.03192	0.6
285.04077	39.7
286.04465	3.8
292.21902	0.5
301.03519	0.7
307.02716	0.6
364.99741	100.0
366.00067	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	365.0881
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
55.01845	0.5
57.03447	0.5
59.01384	7.1
64.50099	0.5
69.03507	0.4
71.01386	3.0
71.54256	0.4
73.02974	1.1
74.99133	0.8
75.00884	2.5
85.02957	4.2
87.00882	1.5
89.02460	0.9
93.03455	1.1
95.01433	0.7
96.96011	0.8
99.00883	1.1
101.02444	0.8
113.02477	2.8
115.07662	17.4
116.07970	0.7
132.04579	0.5
136.99171	0.5
137.02473	1.2
138.53920	0.5
145.02954	0.8
147.04535	0.6
158.03741	14.8
159.04567	5.8
171.04550	2.6
175.02496	0.6
191.05620	0.7
201.02036	1.2
201.05621	3.1
202.02742	100.0
203.03181	9.6
213.05602	3.4
215.03578	0.6
227.03503	0.8
231.06683	1.2
245.04518	1.4
249.06233	2.9
275.05536	2.2
276.06107	0.5
284.03012	0.9
289.11493	0.5
347.13593	0.6
365.08783	43.4
365.14413	8.3
366.09161	4.5
366.13867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1389
Annotation	Ponganone III
Peak:m/z	Relative Intensity
50.19406	0.7
58.02993	1.6
59.01383	9.5
61.98849	0.8
70.02983	13.5
70.32899	1.4
70.33289	1.5
71.01396	4.2
71.05024	17.7
72.05327	0.9
73.02962	0.6
76.02282	0.8
85.02926	2.0
87.00883	17.2
87.05658	6.9
89.02446	3.5
96.95982	1.6
99.04517	5.6
101.02438	2.5
113.02459	1.6
115.05082	0.8
116.07181	3.3
119.03518	1.8
129.02023	0.7
129.05597	2.2
130.03340	8.5
146.08241	88.9
147.05991	3.4
147.08542	3.1
161.04651	0.8
163.15056	0.8
164.03896	1.4
179.05571	0.9
189.48730	0.7
217.11932	17.0
218.12117	0.9
277.09283	1.1
277.12296	21.5
278.12674	1.7
285.63882	0.7
310.64316	0.8
365.13879	100.0
366.14175	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	365.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.8
55.68625	1.6
57.03455	19.5
59.01387	70.2
60.01661	1.9
61.98853	1.6
67.01912	2.5
69.45914	11.1
71.01392	19.5
72.99339	2.9
73.02959	6.0
75.00886	1.7
83.01401	13.0
85.02961	100.0
87.00901	3.0
88.83865	1.7
89.02457	11.7
96.96017	6.6
99.00912	3.4
101.02447	13.0
101.06093	8.0
111.00895	27.4
111.04601	1.6
113.02444	4.7
113.09727	4.7
119.03503	2.6
129.01962	46.5
135.04549	2.4
142.06398	1.7
142.94971	1.5
151.07661	2.0
159.10292	10.6
161.02536	1.9
161.04570	5.5
173.04585	2.1
174.03130	2.1
181.05037	10.4
185.11839	2.6
186.05618	3.1
187.02449	2.2
191.05653	4.8
196.07394	6.7
205.03561	28.1
206.04117	1.9
211.09801	4.5
214.46979	1.7
215.26404	1.7
223.04579	5.2
269.85364	1.7
284.03360	1.9
305.16129	4.5
365.08801	3.9
365.13806	2.6
365.18207	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	365.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.8
55.68625	1.6
57.03455	19.5
59.01387	70.2
60.01661	1.9
61.98853	1.6
67.01912	2.5
69.45914	11.1
71.01392	19.5
72.99339	2.9
73.02959	6.0
75.00886	1.7
83.01401	13.0
85.02961	100.0
87.00901	3.0
88.83865	1.7
89.02457	11.7
96.96017	6.6
99.00912	3.4
101.02447	13.0
101.06093	8.0
111.00895	27.4
111.04601	1.6
113.02444	4.7
113.09727	4.7
119.03503	2.6
129.01962	46.5
135.04549	2.4
142.06398	1.7
142.94971	1.5
151.07661	2.0
159.10292	10.6
161.02536	1.9
161.04570	5.5
173.04585	2.1
174.03130	2.1
181.05037	10.4
185.11839	2.6
186.05618	3.1
187.02449	2.2
191.05653	4.8
196.07394	6.7
205.03561	28.1
206.04117	1.9
211.09801	4.5
214.46979	1.7
215.26404	1.7
223.04579	5.2
269.85364	1.7
284.03360	1.9
305.16129	4.5
365.08801	3.9
365.13806	2.6
365.18207	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60188	0.8
55.01874	3.1
57.03450	2.5
58.00585	4.2
59.01385	100.0
69.75465	4.8
71.01388	80.4
72.01710	1.5
72.99306	4.2
73.02953	15.5
75.00886	1.0
78.31450	1.0
78.63882	1.0
83.01387	6.1
85.02958	21.1
87.00873	3.6
89.02452	63.4
90.02776	1.8
95.01398	4.1
98.20629	1.1
99.00889	4.0
101.02451	47.6
102.42863	0.8
103.04021	1.3
113.02460	30.1
119.03516	29.8
131.03508	3.0
137.09639	1.5
143.03517	6.4
149.04626	1.9
159.03049	3.3
161.04588	23.8
179.05624	13.1
203.12895	9.1
205.03577	1.0
256.17154	1.3
272.88458	1.0
321.15646	1.8
326.73965	1.1
365.13708	1.7
365.18182	32.5
365.22598	2.3
366.18567	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01728	0.9
55.01882	2.5
57.03442	4.6
58.00603	2.0
59.01386	100.0
60.01711	1.0
69.58442	3.7
69.58855	1.7
71.01389	77.6
72.01746	1.5
72.99304	6.5
73.02954	15.5
75.00867	1.3
81.03461	2.1
81.47366	0.8
81.87893	0.9
83.01402	7.2
85.02958	30.4
87.00890	6.3
87.04534	2.4
89.02455	58.6
90.02793	2.0
94.03014	1.7
95.01397	4.9
96.96020	0.9
97.02948	1.4
97.06609	2.2
98.20695	1.0
98.44911	0.8
99.00910	6.8
101.02455	49.4
102.02824	1.6
103.04029	1.6
111.00890	2.4
113.02464	31.0
114.02773	1.5
115.07645	1.4
115.92117	1.4
116.07195	1.7
116.92854	1.3
119.03519	25.9
120.04592	1.5
122.06113	1.1
125.01583	1.1
125.02431	6.2
129.01962	4.1
129.09235	3.3
131.03535	2.5
133.02971	3.0
135.04546	0.9
141.11147	1.0
143.03522	6.0
149.04588	1.4
159.03012	4.5
159.10283	15.3
160.10646	1.5
161.04573	24.4
162.04919	1.7
165.05617	1.1
167.03644	1.0
167.07117	1.0
174.71542	0.9
179.05617	12.6
184.09787	4.6
185.10193	5.0
185.11591	1.1
192.06645	1.8
203.12909	11.7
204.13271	1.0
205.03575	7.8
206.03946	1.1
209.04601	1.7
242.99263	1.1
259.14590	1.4
266.02783	0.9
323.17078	1.3
365.10925	1.0
365.18256	27.4
366.18442	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08670	0.5
55.01876	1.0
57.03442	2.0
58.00588	1.0
59.01386	35.0
60.01703	0.5
69.62946	2.5
71.01014	0.8
71.01391	14.8
72.99302	2.1
73.02947	0.9
74.86459	0.5
75.00859	0.9
83.01391	1.6
85.02963	6.8
87.00883	2.0
87.51505	0.5
89.02459	14.9
89.03018	0.7
93.03465	0.7
95.01397	2.0
99.00885	1.4
101.02455	11.0
101.06120	1.2
111.00889	0.9
113.02467	5.5
113.09735	1.5
115.07671	0.7
116.05085	1.4
119.03505	5.7
127.11305	0.8
129.01965	0.6
132.04565	0.7
137.02467	1.0
139.11346	0.7
142.06633	12.5
142.07733	0.5
151.06750	0.5
155.10777	2.3
157.12366	15.6
158.06117	1.5
158.12711	0.9
171.14067	0.6
185.11816	2.6
186.05630	6.4
187.13373	1.6
199.13324	1.3
200.18420	0.5
200.41028	0.5
203.12897	46.2
204.06702	3.8
204.13260	2.5
245.13901	1.6
289.11932	0.8
365.18179	100.0
366.11951	10.4
366.18539	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91193	0.6
55.01867	1.1
57.03442	1.6
57.30502	0.6
58.00607	0.9
59.01385	32.0
60.01696	1.0
61.98808	0.6
69.54189	3.0
71.01014	1.0
71.01389	15.3
71.05021	2.6
72.54552	0.6
72.92863	0.5
72.97541	0.7
72.99304	1.8
73.02940	2.2
83.01391	1.3
85.02962	5.0
87.00881	1.7
89.02454	15.7
93.03432	1.3
95.01409	1.1
99.00910	0.6
101.02448	12.0
102.02771	0.5
113.02451	7.2
119.03515	5.3
127.11355	2.8
137.09758	0.9
139.04085	0.6
139.11311	0.7
155.10806	2.3
157.12338	15.1
158.12723	0.7
161.04535	1.5
171.10352	0.7
171.13884	1.2
179.05609	0.7
185.11795	2.0
187.13448	1.1
189.95464	0.6
191.05655	0.7
199.13298	0.8
203.12891	42.5
204.13210	2.5
213.09203	1.0
245.13943	1.1
302.76688	0.7
305.16235	0.9
315.53732	0.6
338.59433	0.6
347.11902	0.5
365.18173	100.0
366.18561	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01727	1.0
69.44191	4.4
69.44589	1.4
97.01603	0.7
98.19852	0.8
108.25743	0.6
134.91016	0.6
200.79376	0.7
364.99738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	2.1
59.01388	30.4
71.05030	23.4
71.53456	1.9
76.08824	1.1
94.34272	1.2
96.96021	3.2
97.06603	7.9
99.92583	5.6
100.93392	1.7
101.02451	1.6
111.47025	1.1
113.67857	1.2
115.90388	1.2
115.92090	26.9
128.93294	1.2
181.12331	1.8
201.02475	5.3
207.13922	2.2
213.09183	1.5
217.16011	1.5
219.13947	2.8
235.17053	3.2
247.20628	1.8
251.10713	1.5
279.10291	1.3
291.19687	100.0
292.20044	10.5
365.04935	12.1
365.20966	2.2
365.24915	1.6
366.05002	2.2
379.02844	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	365.2698
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01383	12.9
66.04671	0.7
70.67797	0.8
70.68120	1.6
77.72386	0.7
85.06601	3.0
166.57802	0.7
175.44806	0.9
185.88373	0.9
199.13417	2.3
201.02650	1.0
201.88806	0.8
239.10843	1.3
279.19669	17.0
280.20020	2.1
283.26440	2.8
347.25909	7.8
348.26230	1.0
363.25568	1.2
365.26981	100.0
366.27347	18.3
366.31955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55085	1.7
56.40523	2.1
59.01383	52.4
59.36725	1.8
60.01714	2.6
61.98846	2.5
64.37952	1.9
70.02959	2.8
71.01383	14.6
71.05033	3.1
71.53401	2.9
81.59205	1.9
85.02959	3.4
87.00867	7.4
89.02451	13.4
96.96027	6.6
100.02284	2.3
101.02446	9.1
102.98605	3.4
104.93774	2.1
110.59193	2.3
113.02435	5.2
116.01773	100.0
116.07217	2.3
117.02145	2.3
117.06361	2.0
119.03546	4.5
129.01926	2.5
133.25667	1.9
146.08241	13.1
147.08575	6.6
149.69475	2.0
165.36536	1.9
179.05565	2.1
196.04062	1.8
206.41805	1.8
218.12285	1.9
225.06361	1.8
249.06293	2.3
278.07089	23.5
278.12549	2.1
283.05130	2.0
304.46201	2.1
366.09369	2.5
366.14221	18.8
367.13821	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	366.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
58.00605	0.6
58.08038	0.5
58.81867	0.7
59.01385	26.3
60.01704	1.2
61.46256	0.5
69.04784	0.6
71.01392	12.4
71.11858	1.2
72.99314	4.2
73.02986	0.8
74.99122	1.2
75.00876	4.3
79.95779	0.7
83.01389	1.2
85.02979	4.7
87.00879	3.0
89.02459	8.6
93.03474	1.9
95.01399	1.3
99.00895	1.4
101.02454	6.3
101.06097	7.5
102.06432	2.6
113.02455	4.2
116.05082	8.6
117.02015	0.7
117.05482	0.9
119.03522	2.4
119.05039	8.2
120.80579	0.5
120.99708	0.8
128.05069	2.3
129.06352	0.5
130.06648	2.1
132.04521	0.5
134.03795	1.0
136.99109	0.8
142.06638	100.0
143.07013	5.9
144.04482	0.7
157.12372	1.3
158.06143	11.6
158.12679	1.4
159.06439	1.1
163.04015	5.1
167.03581	0.6
173.04539	2.5
186.05620	50.3
187.05952	3.1
191.05675	3.1
193.05046	1.1
193.70848	0.5
203.12918	1.8
204.06664	30.2
204.13229	3.2
205.07007	2.2
237.06316	0.8
246.07790	2.3
262.57220	0.5
264.07922	0.7
291.02640	0.6
295.53482	0.6
366.11914	69.6
366.18573	11.3
367.12222	9.9
367.17075	0.7
367.18506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0825
Annotation	Lupinalbin E
Peak:m/z	Relative Intensity
57.03456	13.5
58.09999	0.9
59.01387	4.8
63.02396	2.7
63.36055	0.9
65.00336	16.1
71.01605	2.1
71.01934	1.1
72.87371	0.8
74.62244	0.9
81.03480	1.7
83.01387	9.8
93.03473	2.8
98.59015	0.9
101.79140	0.9
102.84670	1.0
102.98609	2.4
107.01411	19.1
109.02970	2.1
121.02962	2.0
125.02461	97.9
126.02775	3.4
129.07149	1.3
135.04512	1.5
137.02484	2.0
149.02444	1.7
151.00385	89.7
152.00687	5.0
159.04539	2.0
161.02429	1.1
163.00447	1.6
165.01936	16.1
167.03476	1.2
169.06613	4.1
170.03702	1.1
172.05301	17.2
173.06009	3.6
175.04037	4.7
176.04091	1.6
185.06082	2.8
186.06917	1.9
187.04031	4.4
187.07666	57.4
188.04735	3.4
188.07976	3.3
191.05602	2.2
193.01489	4.0
196.05313	2.6
197.06099	4.5
198.03223	4.7
200.04817	3.4
201.05511	3.8
202.06358	2.6
213.05565	7.3
215.07146	100.0
216.07468	8.0
226.02707	11.7
227.03244	1.4
238.06432	1.6
241.05081	62.8
242.05452	6.3
266.05786	1.5
281.04568	1.2
281.08191	5.3
305.08273	2.4
309.04053	9.4
310.04605	1.8
321.07666	2.1
323.05762	1.2
323.09317	2.6
324.06464	1.5
338.03973	1.3
339.08710	5.5
349.07224	1.4
367.08243	42.7
368.08624	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	367.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01385	4.5
60.99315	1.9
61.98829	0.6
66.20222	0.3
67.01896	5.2
69.03461	1.5
70.29020	0.3
70.42085	0.8
71.01389	2.9
71.44154	0.3
71.91005	0.3
73.02960	0.3
81.03469	1.2
83.05038	0.8
85.02961	5.9
86.03326	0.4
87.00885	8.9
89.02451	0.5
93.03469	35.0
94.03796	1.7
95.17153	0.3
96.95977	0.3
97.06622	0.5
99.00884	0.6
99.04532	0.9
101.02434	0.6
104.39826	0.3
106.89869	0.3
109.02983	1.0
111.04527	5.4
113.02472	1.1
115.04049	0.4
117.03441	1.8
119.05013	2.1
127.04046	1.4
129.01973	1.1
134.03766	14.8
135.04118	0.6
137.02441	1.1
143.03514	0.4
143.69118	0.3
144.44904	0.3
149.06039	0.9
155.03540	1.6
160.01709	0.4
163.04033	1.1
171.02988	0.5
173.04561	20.2
174.04906	0.6
175.03998	1.2
178.02742	0.5
191.05632	100.0
192.05978	4.7
193.05063	8.3
194.05405	0.6
239.40903	0.4
367.10458	4.2
368.10751	0.6
381.45468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1189
Annotation	Ugonin C
Peak:m/z	Relative Intensity
59.01390	1.5
61.67906	0.3
69.03465	1.4
71.52809	0.4
71.53153	0.6
92.05087	0.4
93.03464	0.9
100.07692	0.3
103.05556	3.8
103.41075	0.3
113.02477	0.5
114.57766	0.3
117.03480	18.2
118.03823	0.6
119.05044	28.7
120.05392	1.7
121.02962	2.0
132.05777	0.5
136.04083	0.6
143.05069	0.6
145.02971	39.3
145.06622	1.1
146.03310	2.5
147.04536	100.0
148.03789	0.5
148.04871	5.8
149.03728	0.3
157.06644	0.5
163.04028	5.3
175.07625	0.6
219.06627	8.3
220.06923	0.4
222.09047	0.4
224.05740	0.3
293.21240	1.2
302.32703	0.4
344.51654	0.3
346.25967	0.3
367.11880	39.7
368.12234	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	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93727	0.6
59.01384	100.0
60.01707	0.8
61.98840	3.1
67.85522	0.6
70.90895	1.2
70.92962	0.6
71.01394	3.0
73.02966	1.8
85.02976	2.0
87.00880	1.4
89.02471	2.3
96.96012	0.9
101.02448	3.1
102.98656	0.7
113.02480	2.1
119.03543	1.1
155.45822	0.7
161.04568	1.8
191.05647	1.4
192.40723	0.8
212.52170	0.7
247.11794	0.9
265.12958	6.1
303.05313	0.8
307.14047	1.3
367.21152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45959	0.5
54.53102	0.6
56.00888	0.5
57.03453	1.1
59.01389	100.0
59.34642	0.7
60.01720	1.9
61.98839	3.4
67.12666	0.5
70.71251	1.9
71.01404	4.2
73.02953	1.6
76.26650	0.5
85.02948	3.2
87.00890	0.8
89.02462	1.8
93.03504	2.3
96.96017	0.9
99.00889	0.6
99.04556	0.8
101.02457	3.0
111.00945	0.8
111.04585	0.6
111.39043	0.7
113.02489	2.3
117.03519	1.4
119.05056	2.7
121.02963	1.0
123.04555	5.0
134.03766	12.0
149.06058	0.9
161.04625	2.4
163.04079	1.6
168.06856	0.7
173.04654	1.6
177.01959	1.5
182.27577	0.6
191.05629	5.0
192.04434	1.5
193.05074	11.7
194.05362	0.7
198.92114	0.7
200.63176	0.6
207.06648	3.5
261.11572	1.1
265.12955	7.0
279.12704	0.9
307.14148	1.5
367.10599	2.9
367.14737	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	367.1665
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01378	2.7
91.05538	1.9
92.05068	69.0
93.05408	2.4
100.07691	68.7
101.08051	1.9
116.05077	1.7
118.03006	2.4
118.51739	0.6
119.01417	0.6
129.99493	0.7
131.03751	1.2
133.21400	0.7
136.04053	95.7
137.04411	4.6
139.89659	0.7
144.04562	3.3
147.04549	0.7
154.50583	0.6
161.07187	2.3
162.09209	1.7
176.96021	0.6
194.09840	1.3
202.12411	4.0
204.13934	5.0
222.09245	66.1
223.09587	6.2
248.13106	1.1
253.13576	1.1
305.75571	0.6
309.20850	0.7
323.17642	0.7
367.16620	100.0
368.16956	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	367.1666
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01391	4.4
60.19652	0.7
70.81944	1.6
71.01377	0.8
91.05533	1.9
92.05072	85.4
93.05399	3.4
97.85098	0.7
100.07695	26.6
101.06095	3.8
101.07990	0.9
105.70133	0.8
116.05073	1.4
118.03005	1.6
118.06636	1.3
131.91080	0.8
136.04060	82.0
137.04378	2.5
144.04602	3.3
146.06091	1.1
147.04514	2.2
147.05647	11.7
150.04028	0.7
194.09717	1.8
222.09262	79.8
223.09604	6.3
230.11855	10.8
231.12402	1.0
239.11911	11.3
240.12140	1.3
248.12996	1.1
265.09891	3.2
323.17667	4.6
349.15546	0.9
367.16641	100.0
368.16931	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	367.2646
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01390	1.4
59.19205	0.4
69.18948	2.6
69.19354	1.0
71.36027	0.3
83.14742	0.4
106.04713	0.4
118.65900	0.3
133.06602	11.7
134.06918	0.6
149.09738	92.3
150.10074	5.7
178.06439	0.4
190.24529	0.4
194.09546	0.9
201.91357	0.4
205.15991	52.7
206.16339	5.3
292.50940	0.4
295.17065	3.7
296.17822	0.5
328.16858	3.6
367.26447	100.0
368.26779	19.3
382.34647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23991	0.4
59.01379	1.8
69.16084	4.2
93.03467	0.4
98.19931	0.9
126.00198	0.4
128.91072	0.4
133.06628	2.3
149.09735	90.7
150.10069	5.0
189.12845	0.7
205.15999	89.3
206.16341	8.1
267.82092	0.4
367.26440	100.0
368.26761	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	368.1717
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
58.02981	89.9
59.01384	8.9
59.44429	1.3
61.98843	2.0
68.05056	2.5
69.40591	9.7
70.06613	4.1
71.01393	2.9
71.05032	11.9
74.53928	1.1
81.03474	2.8
83.05023	2.2
85.02954	4.0
93.03461	2.1
95.05063	2.6
96.04591	2.4
96.96021	1.6
97.06528	1.6
98.06137	3.4
99.84708	1.2
100.07687	2.4
102.76397	1.3
104.98205	1.3
109.06599	3.1
111.04482	2.2
112.07687	20.4
125.06106	1.5
126.05621	24.8
126.09229	2.7
128.03590	1.8
128.07095	1.1
133.06683	1.3
135.08144	3.7
140.07193	61.4
141.07524	2.2
144.10320	25.4
145.02971	1.5
146.08244	100.0
147.08572	4.8
170.08244	82.8
171.08604	3.4
171.10191	1.4
173.04518	2.1
176.04051	1.7
188.09283	1.7
189.12891	2.0
191.05646	2.6
195.10231	2.8
207.13911	2.0
213.12523	3.0
225.14914	1.8
239.09309	6.7
253.05167	1.5
266.05518	1.3
306.17084	18.4
310.08157	1.4
324.18143	13.7
325.17960	2.3
350.16122	18.8
351.16394	2.7
368.17169	98.4
369.10004	2.2
369.17545	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	369.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98040	100.0
59.01392	11.2
61.98838	7.9
70.70715	3.0
70.71069	3.6
71.01384	8.7
71.41412	1.4
74.99077	2.1
82.51998	1.3
83.01383	1.9
85.02924	3.0
87.02755	2.0
89.02453	2.1
93.03477	3.5
96.96004	7.7
101.02433	2.5
111.00876	3.4
113.02465	3.0
118.97256	3.3
118.98105	57.8
121.02972	38.3
122.03313	2.2
123.02709	2.2
127.04030	7.8
133.02972	1.8
135.04532	2.5
145.02908	2.8
148.82008	1.9
151.02260	9.4
163.03891	1.9
173.04562	3.3
176.04047	4.3
179.03384	2.2
191.05632	5.0
214.46471	1.4
241.01746	6.7
265.07242	1.6
326.13535	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	369.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
58.99594	2.1
59.01389	9.8
61.96407	1.1
61.98822	4.8
67.01897	1.2
70.03248	3.7
71.01389	18.4
73.02936	5.2
83.01371	1.5
85.02959	11.6
87.00883	44.6
89.02442	5.5
93.03467	9.6
95.01387	2.0
95.05019	1.0
96.96024	1.5
99.00881	1.9
101.02452	9.0
109.34426	1.0
111.04472	1.4
113.02433	7.5
117.03799	1.5
119.05378	100.0
120.05723	2.3
123.04536	1.7
125.02463	1.6
128.03545	1.5
133.02998	6.9
148.05174	1.4
159.02962	1.2
161.04590	10.1
173.04553	7.3
177.01880	1.5
189.05923	6.0
191.05624	15.5
195.02953	1.2
207.06786	1.6
213.90923	1.3
215.05595	2.1
227.50053	1.2
249.06163	29.8
250.06583	1.1
351.07632	1.1
369.08615	1.7
369.12250	48.4
370.12460	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	369.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.9
61.98834	1.7
66.03491	2.4
71.01387	4.9
71.52755	1.0
71.53153	1.8
72.00919	17.0
73.02953	7.2
73.04015	1.1
75.00790	1.1
77.82693	1.2
85.02946	2.3
87.00867	2.6
89.02444	2.9
92.05028	1.2
93.03468	3.0
96.96020	1.6
99.00854	1.2
101.02428	3.6
113.02456	2.2
116.05068	4.6
119.03514	1.1
119.05344	1.6
128.05133	1.4
130.06601	2.5
131.03760	5.1
133.02991	3.0
134.06151	1.9
142.06639	23.7
143.06960	1.8
144.04562	17.0
145.05270	3.5
146.06139	14.2
153.55371	1.2
157.05383	1.3
158.06136	38.7
159.03212	1.5
159.06464	1.9
160.04073	1.6
162.05602	3.1
167.06158	7.2
168.04515	4.0
169.07727	100.0
170.06172	14.2
170.08092	7.1
171.06520	1.2
172.04121	2.0
172.07692	2.0
173.04596	2.9
174.05684	1.2
180.06970	1.4
181.07722	17.8
182.07979	1.9
184.04019	3.9
185.04828	10.9
186.05617	1.8
188.07228	8.8
189.04294	2.0
190.05029	4.6
191.05624	7.8
194.85562	1.5
199.08789	70.7
200.07147	3.2
200.09079	6.3
202.05109	17.2
203.05490	1.6
211.08733	4.3
213.06636	2.1
216.11180	1.1
217.09818	3.1
218.08177	1.3
220.50642	1.1
231.07835	2.5
232.06143	2.1
239.62396	1.1
243.07715	3.7
249.08769	6.1
261.08765	3.3
278.08249	1.2
279.09860	3.5
286.06061	1.2
352.10275	3.9
353.89456	1.2
369.12805	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	369.1815
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
54.18785	3.2
59.01382	8.0
71.01385	5.1
98.20667	9.9
101.08128	3.9
105.80280	3.8
115.72643	3.5
139.11330	5.1
149.23862	3.4
153.09460	3.2
165.05927	3.5
166.51302	3.3
166.52711	3.9
171.10251	20.2
183.01147	4.5
185.11841	6.2
193.08484	5.0
229.04749	5.2
293.21381	8.6
311.22333	29.1
331.19110	6.9
363.75531	3.7
369.18115	100.0
370.18301	11.9
371.14346	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	369.2284
Annotation	thromboxane B2
Peak:m/z	Relative Intensity
52.56371	0.4
59.01397	2.3
71.01408	1.0
71.53424	1.0
80.72225	0.5
83.53236	0.5
83.73215	0.5
89.02480	1.0
91.04035	1.7
93.10375	0.6
108.46143	0.5
108.80430	0.5
110.33069	0.5
118.05687	0.5
136.52887	0.5
137.06155	0.6
151.07695	1.1
152.56931	0.5
170.05855	3.5
171.10309	0.8
195.13928	1.2
196.37251	0.5
215.01849	0.5
222.08777	5.3
233.19203	1.6
236.10292	0.9
249.18611	0.6
251.20128	1.7
254.07568	0.7
258.05246	1.0
259.16943	0.7
277.18109	100.0
278.18454	11.5
295.19238	50.1
295.22748	9.8
296.19537	5.2
296.23090	1.7
311.22241	2.3
333.20490	6.9
334.20807	0.8
353.64990	0.5
369.22821	68.0
370.23160	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	369.2439
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
56.11718	0.8
57.57954	1.0
58.03077	0.9
58.92648	0.8
59.01395	1.5
62.07854	1.0
70.01320	4.3
70.61275	0.8
101.02459	1.0
104.02665	1.0
113.50019	1.0
117.07165	1.3
133.10257	3.3
134.30406	0.8
147.08148	1.4
161.09735	1.4
163.11301	100.0
164.11610	7.2
179.10777	18.6
193.12338	21.5
194.12711	1.8
243.05551	1.1
283.94373	1.0
337.21735	13.0
338.22098	2.2
369.24353	79.1
370.24600	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	369.3013
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
54.26549	0.5
103.57652	0.6
189.95992	0.7
209.84868	0.5
277.55606	0.6
305.28595	0.8
307.30093	62.1
308.30402	9.3
325.31158	2.1
351.29083	16.1
352.29358	2.5
369.30124	100.0
370.30484	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	371.041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30526	0.4
55.01880	0.5
57.03444	1.5
59.01382	10.2
63.02390	1.7
65.00332	5.4
71.01391	7.5
71.54509	0.8
73.02947	2.1
77.03865	0.4
81.03468	0.7
83.01397	6.0
85.02966	2.9
87.00859	0.6
89.02456	2.8
93.03436	0.4
95.01428	0.7
96.96016	0.6
101.02452	4.0
101.40965	0.4
102.58281	0.4
105.03475	0.6
107.01398	9.2
113.02480	2.4
119.03485	1.2
119.05032	1.0
120.99668	0.9
121.02976	2.0
125.02415	1.3
129.03468	0.7
133.02959	0.6
135.04512	0.9
137.02443	0.5
142.81737	0.4
146.03714	1.3
147.04530	36.3
148.04884	2.2
149.02475	3.1
151.00381	16.0
151.01607	0.9
152.07294	0.5
161.02525	0.6
161.04565	1.3
173.04532	0.5
175.04001	2.9
177.01888	0.9
189.05579	5.3
190.06003	0.6
191.05591	1.7
198.03210	0.6
209.15265	0.5
212.04790	0.8
213.05547	3.9
215.03493	2.1
225.05614	0.5
227.07132	0.4
231.06572	2.5
240.04300	1.1
255.06694	1.9
257.04501	1.4
271.06082	0.6
281.04434	0.8
283.02560	1.4
284.03366	1.1
299.05618	100.0
300.05936	11.3
309.04022	3.9
327.05133	12.8
328.05441	1.3
337.17514	0.5
346.02179	0.5
353.02975	1.6
371.04044	9.6
371.15430	0.4
372.04047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98040	100.0
59.01389	10.5
71.01383	6.9
71.54239	2.2
72.99316	74.3
73.02976	1.3
74.99097	6.5
78.26196	1.2
78.95939	1.3
81.03458	11.9
83.01390	3.2
83.05037	42.1
84.05392	1.5
85.02926	2.7
87.00882	7.1
87.02721	6.6
93.03438	6.6
99.02746	28.6
100.03082	1.4
100.07699	10.4
101.02472	1.6
102.33139	1.2
104.36470	1.1
109.02951	8.5
113.02467	2.2
117.03849	3.3
118.98098	94.1
119.05011	2.0
119.98400	2.6
120.99651	4.4
121.02943	5.8
124.85341	1.2
126.05559	1.8
127.04012	2.8
130.08771	2.3
133.02995	2.3
135.04568	1.8
135.28188	1.0
137.02437	3.9
143.01730	61.3
144.02054	1.8
147.04581	1.5
161.02786	2.9
173.04565	2.4
179.03833	37.5
180.04094	1.9
182.15451	2.4
185.42229	1.3
191.05592	4.0
199.18184	7.4
204.33534	1.5
225.16074	9.2
226.16278	1.3
243.17145	27.2
249.04347	35.4
250.04608	2.1
251.07178	5.2
253.08682	10.2
269.15198	3.1
279.06638	9.0
290.79306	1.4
291.03882	1.6
297.07651	2.4
320.14044	1.4
353.20728	7.8
371.11362	9.2
371.21857	86.5
372.16653	2.3
372.22168	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	371.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71794	1.3
56.98040	100.0
57.03423	1.7
59.01391	13.0
60.97540	1.9
68.43502	1.7
71.01382	4.7
71.54214	2.4
72.99316	74.8
74.99106	8.0
75.98003	1.5
78.95928	8.2
81.03474	7.8
81.50576	1.5
83.01392	4.5
83.05023	23.4
85.02970	2.2
87.00890	6.9
87.02733	5.0
89.02464	2.2
89.30161	1.4
93.03437	6.8
99.02746	28.8
100.07684	5.8
101.02431	1.6
102.62156	1.6
109.02978	7.5
113.02427	4.1
117.03799	1.8
118.98100	90.9
120.99650	5.3
121.02949	5.9
127.04001	2.4
127.05210	1.7
128.03561	1.8
129.05620	2.2
130.08717	1.4
131.59088	1.6
133.03009	1.7
135.04443	2.3
137.02420	6.7
143.01743	58.7
144.02023	2.7
147.04504	3.0
152.99622	2.9
161.02698	3.1
167.03500	4.5
171.00539	2.3
173.04472	3.7
174.50389	1.4
179.02333	2.6
179.03841	36.2
191.05646	4.8
199.18063	4.8
205.05360	1.7
225.16052	4.9
243.17194	12.0
249.01979	2.5
249.04404	39.3
250.04726	2.2
251.07100	3.0
253.08716	5.7
279.06665	6.6
291.04190	2.9
297.07727	1.6
353.20883	4.8
371.11536	5.7
371.21835	47.7
372.16452	2.4
372.22101	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03445	2.8
58.00597	0.7
59.01386	19.4
67.01888	1.2
68.99815	2.2
69.03462	1.7
69.16695	5.1
71.01390	19.6
72.99313	5.3
73.02949	2.1
75.00878	17.9
81.03472	1.5
83.01405	1.8
84.02182	0.6
85.02961	21.7
87.00886	6.9
89.02448	4.7
91.04035	0.6
93.03481	1.8
95.01404	6.7
97.03006	0.9
99.00893	11.1
103.00375	1.9
111.00883	1.2
111.04517	0.5
113.02467	23.7
114.02795	0.8
115.00407	1.3
117.01939	4.6
121.02971	100.0
122.03295	4.6
123.85773	0.5
129.01941	1.8
157.01489	1.3
175.02489	2.1
189.04048	1.3
189.40503	0.5
191.05655	0.7
198.60916	0.5
231.05141	7.8
236.48630	0.5
249.06171	69.0
250.06535	4.6
329.95337	0.5
353.08865	1.2
371.09866	43.4
372.10214	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	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67849	0.7
52.12159	0.8
55.01877	1.3
57.03432	2.3
59.01382	18.5
67.01878	1.3
68.99811	2.3
69.03455	1.7
69.18202	1.3
69.18608	6.8
71.01013	1.4
71.01388	18.0
72.99330	4.3
73.02953	2.1
75.00878	19.4
81.03490	0.9
83.01402	1.3
85.02960	18.6
87.00886	7.9
88.79988	0.8
89.02449	4.5
91.04009	1.0
93.03475	2.2
93.68372	0.8
95.01405	5.3
99.00896	11.9
103.00381	2.3
109.02924	0.8
111.00878	1.1
113.02464	24.6
115.00396	2.1
117.01942	4.3
117.02635	0.7
121.02969	100.0
122.03304	4.9
126.81436	0.7
129.01913	2.0
157.01422	1.2
175.02510	1.9
189.04042	1.3
204.09225	0.8
231.05067	8.5
231.52940	0.8
243.97147	0.8
249.06168	72.6
250.06526	5.3
311.07980	1.3
353.08844	1.4
371.09845	50.4
372.10233	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.1
57.03444	2.8
58.00582	4.4
59.01386	91.7
67.01901	4.0
70.16151	1.8
70.16499	6.9
71.01391	44.6
72.99320	5.3
73.02958	1.6
81.19610	1.7
82.02998	2.3
83.01391	5.2
84.04550	3.5
85.02950	11.5
87.00869	10.2
87.89280	1.9
89.02457	54.2
93.03469	20.0
95.01383	5.0
98.19937	1.9
101.02452	32.0
102.05644	4.5
105.01923	2.4
111.04539	4.1
113.02465	17.6
119.03525	26.7
119.05001	10.7
121.02971	100.0
122.03307	5.6
127.04028	5.0
128.03566	17.9
133.09131	2.3
143.03549	2.1
146.04637	2.5
150.92131	2.1
153.05559	5.1
155.03456	3.1
161.04633	2.5
163.04047	2.2
173.04565	64.6
173.06056	3.6
174.04950	3.1
177.95119	1.8
191.03448	2.0
197.04568	8.6
213.12460	10.5
243.17105	6.3
245.83018	1.7
249.06175	38.3
250.06631	3.1
257.11426	2.0
277.67874	1.7
295.44730	2.0
326.59280	1.7
328.22433	2.3
360.43472	2.0
371.09610	10.6
372.21460	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01877	1.4
57.03450	4.2
57.11546	0.8
59.01384	22.0
59.18303	0.8
63.63400	0.7
69.03452	0.7
70.62691	1.9
71.01389	19.7
72.99319	6.6
73.02949	2.8
75.00877	17.6
80.75955	0.7
83.01408	2.6
85.02960	23.8
87.00876	8.8
89.02461	7.7
89.54247	0.9
90.86260	0.7
91.04076	1.0
93.03457	2.5
95.01411	5.2
96.96002	1.8
99.00889	11.8
101.02453	3.9
103.00376	4.1
108.02176	1.5
111.00861	1.0
113.02461	32.2
115.00414	1.7
117.01939	3.0
119.03504	2.4
121.02969	100.0
122.03291	4.3
123.04549	0.9
128.03598	1.1
129.01938	3.3
135.04597	1.0
151.44135	0.8
152.01170	1.6
157.01450	1.4
167.03445	2.4
169.16621	0.8
175.02501	2.8
180.75920	0.8
191.05614	2.9
193.03564	2.0
209.04672	0.8
231.05121	3.8
249.06157	25.2
250.06421	1.6
353.08701	1.5
371.09808	58.5
371.13400	3.6
372.10165	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	371.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01377	3.9
69.19434	7.3
69.19839	1.7
71.01389	3.9
79.05521	0.9
79.95747	0.9
83.01369	1.9
85.02940	5.4
93.03479	1.4
96.95998	3.5
101.02458	1.2
108.02165	2.8
108.58937	0.9
109.02968	67.6
110.03297	2.7
112.21037	0.9
113.02466	1.4
121.03000	5.8
129.01895	2.0
131.05000	1.1
136.01688	25.9
137.02177	1.2
139.11317	1.1
145.02969	6.2
146.03787	1.4
149.02505	1.7
151.04022	30.1
152.04256	1.9
158.03673	2.4
159.04546	13.3
160.05322	52.5
161.05635	2.1
164.04797	1.7
175.04015	2.4
175.07657	28.2
176.08028	1.9
196.05344	1.3
209.15343	1.6
211.07616	4.3
221.06021	2.2
222.06796	1.7
223.07599	2.6
238.06401	1.5
239.07146	16.8
240.07489	2.1
241.08650	1.0
247.41667	1.0
249.05602	3.0
250.06352	8.8
251.06821	1.2
265.05273	1.5
266.05869	4.5
266.30630	1.0
267.06647	100.0
268.06998	11.3
281.08325	1.5
282.08997	74.0
283.09409	9.1
297.11359	67.5
298.11621	7.8
312.10034	11.1
313.10483	1.3
327.12408	91.6
328.12784	11.6
329.37521	1.0
371.11252	10.5
371.15082	1.3
371.24374	2.9
372.11420	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	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
57.81017	1.3
59.01384	12.0
65.54807	1.2
69.29018	1.9
69.29420	12.4
69.58882	1.3
71.01390	4.2
83.01398	5.5
89.02428	1.7
93.03483	3.5
96.95995	4.6
99.95650	1.3
101.02399	1.7
108.02168	1.8
109.02963	72.2
110.03314	2.5
119.04961	1.4
121.02988	6.9
123.04540	1.7
133.60240	1.5
136.01680	27.7
136.05382	1.7
145.02950	5.4
149.02502	2.9
150.80655	1.4
151.04016	38.7
152.04390	2.0
158.03766	2.8
159.04552	15.5
160.05319	56.1
161.02446	1.7
161.05626	4.8
164.04826	2.5
173.04536	2.7
174.03181	1.5
175.04074	2.7
175.07668	33.0
176.04773	2.0
176.08035	2.6
185.11882	5.7
191.05655	1.6
199.13326	1.6
211.07716	5.1
221.06206	2.6
223.07504	1.9
226.10115	1.3
239.07111	19.2
243.16031	3.1
249.05533	2.2
250.06454	6.8
266.05939	4.1
267.06647	100.0
268.06912	12.0
281.08209	2.4
282.09009	81.0
283.09402	7.8
283.13440	2.3
297.07892	3.2
297.11340	79.0
298.11661	9.5
312.10071	13.9
327.12408	97.6
328.12692	14.2
341.23419	3.0
343.97192	1.6
353.23404	1.7
371.11252	13.7
371.14410	2.2
371.15396	3.4
371.24423	55.6
372.11404	2.0
372.24652	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	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98031	1.6
57.17222	0.6
58.00600	1.1
59.01386	100.0
59.41542	0.6
60.01725	1.4
61.98829	0.8
66.86725	0.6
71.01391	11.6
71.14796	1.3
72.99321	4.3
73.02956	0.6
74.99141	0.7
83.01397	1.4
85.02985	2.3
87.00892	1.5
89.02454	10.7
93.03484	1.1
93.41022	0.6
93.52290	0.6
95.01437	0.6
96.96029	0.6
99.02771	1.9
101.02462	6.5
105.47950	0.6
109.03050	0.8
113.02468	4.8
118.98114	2.3
119.03490	5.4
119.04964	0.7
120.84727	0.5
121.02979	1.0
130.08772	3.9
143.01744	4.5
143.03496	0.9
147.04619	0.9
163.03961	0.7
173.04764	0.9
179.03909	2.9
180.10324	1.5
190.02745	1.4
191.03607	0.8
191.05672	1.0
199.18327	0.7
249.04454	1.4
251.07245	2.1
253.08809	1.9
269.10205	0.6
279.06525	4.4
297.07947	0.7
310.04959	0.6
340.82071	0.6
354.20560	1.8
371.13705	14.8
372.13895	2.0
372.21585	2.3
386.29935	0.7
388.09723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66658	0.8
59.01385	100.0
60.01734	1.2
66.92262	0.8
71.01397	9.5
73.02949	3.3
74.40485	1.0
83.01401	3.0
85.02966	4.4
89.02455	1.9
93.03481	4.2
95.01370	1.1
101.02435	6.1
113.02464	5.0
119.03492	1.8
120.99727	0.9
121.02949	0.9
128.03528	3.3
130.08769	3.1
135.04521	2.5
147.04593	0.9
149.09737	5.6
149.20345	1.0
161.02435	1.1
161.04543	3.0
173.04562	2.6
191.05675	3.0
202.06335	1.2
208.08931	1.3
211.07654	2.1
213.09346	1.4
225.09300	1.3
227.10754	2.1
237.09218	2.1
239.10699	1.0
243.12335	1.0
251.10748	3.4
253.08719	17.5
254.09224	3.8
269.11874	17.3
270.12173	2.0
281.08255	1.9
281.11456	0.9
283.06107	1.5
297.11380	1.2
299.12927	26.8
300.13162	2.9
327.12476	14.7
328.12820	2.7
371.11139	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	371.2445
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
57.03455	1.3
59.01384	5.0
59.57010	0.5
71.01388	3.0
71.05022	1.6
71.54935	0.7
73.02959	1.2
83.01390	2.8
83.05049	1.9
85.02958	1.4
89.02448	1.7
92.41029	0.5
93.07100	2.6
97.06609	1.6
101.02448	2.2
111.08167	0.7
113.02470	0.9
114.41284	0.5
118.56100	0.6
119.03565	0.7
121.02957	0.9
123.08157	0.7
135.04535	0.5
136.05289	0.7
139.11269	0.8
141.12933	0.6
144.08186	1.8
153.12849	1.8
161.04552	0.9
168.04253	0.8
169.12323	1.0
171.13931	0.8
185.11841	3.4
199.13437	5.4
213.11392	0.6
213.14983	6.6
214.47607	0.5
215.03169	0.5
215.07124	0.7
227.16513	0.7
237.68666	0.5
241.14485	9.2
242.14862	1.2
243.16064	6.6
244.16560	0.8
251.16580	1.6
257.17535	1.2
279.19693	1.5
281.21030	0.5
323.22318	1.6
327.21744	0.8
341.23331	2.5
343.04486	1.3
353.23288	0.8
371.03922	1.1
371.24396	100.0
372.24774	13.7
372.29535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07840	0.7
55.01863	1.2
57.03442	1.9
59.01082	0.9
59.01383	15.5
67.01883	1.7
68.99805	2.0
69.03458	2.7
69.57384	3.2
69.57816	2.1
71.01389	17.0
72.99313	3.8
73.02949	1.8
75.00882	13.8
78.03491	5.6
81.03458	0.9
82.03006	1.4
83.01391	2.0
84.04558	1.3
85.02958	14.3
87.00898	6.5
89.02439	2.8
91.04015	1.1
93.03467	1.8
95.01414	4.9
96.00886	1.0
98.20666	1.0
99.00887	8.8
99.24851	0.8
101.02383	0.8
103.00361	1.7
111.00896	1.5
113.02460	18.7
117.01907	2.5
122.02496	66.6
123.02817	2.4
127.03945	1.0
127.63536	0.9
128.03552	6.9
129.01952	2.0
138.16078	0.8
157.01309	0.9
175.02466	2.4
189.03969	1.0
193.05115	1.3
199.10905	3.7
225.38065	0.9
231.05077	5.0
249.06169	100.0
250.06473	6.1
259.63608	0.9
292.13013	0.9
310.14407	1.0
316.58023	1.0
372.09363	24.0
373.09769	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	372.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38419	1.0
54.18031	0.8
59.01379	1.2
61.26557	0.8
70.50822	3.1
71.01384	1.0
72.00928	1.8
72.99310	1.3
74.02475	3.6
82.02988	15.6
84.04552	12.7
85.02946	1.9
86.02496	1.5
98.02472	1.8
98.86329	0.9
100.60050	1.1
101.07262	1.2
109.07718	3.2
110.02468	1.0
112.04066	1.1
112.07706	4.9
113.02516	0.9
114.05601	1.1
122.02489	2.7
123.05648	1.1
124.07698	1.1
127.05133	8.2
128.03552	100.0
129.03894	2.6
141.06773	1.0
151.08751	2.4
155.11914	6.8
156.12321	1.2
181.09828	15.6
182.10132	1.8
191.05580	2.1
193.01340	0.9
195.07735	4.9
199.10892	61.8
200.11205	3.7
211.06105	1.0
225.08777	2.1
238.38708	1.0
243.09819	2.6
248.14137	1.2
249.06102	3.2
266.15067	1.5
292.13052	8.2
310.14130	15.2
310.17401	1.8
328.15039	3.6
372.09888	1.6
372.14142	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	372.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	0.8
59.01410	0.8
61.98837	0.7
64.23130	0.6
69.75967	1.1
69.76376	2.4
72.00900	1.1
74.02486	3.0
81.96199	0.5
82.02991	12.7
83.01329	0.6
84.04565	12.3
85.02960	0.9
86.02473	1.1
101.02468	0.6
101.07253	0.8
109.04115	1.9
109.07739	3.6
110.02492	1.6
112.04067	0.8
112.07696	4.1
122.02498	0.9
123.00921	0.7
123.05688	0.6
124.07738	0.8
125.07222	0.8
127.05148	8.6
128.03554	100.0
129.03914	3.8
134.03763	0.6
137.10867	0.7
146.04626	0.7
149.06108	1.1
151.08791	2.2
153.06667	0.8
155.11935	6.8
162.28934	0.6
169.09952	0.7
181.09843	16.4
181.11464	1.0
182.08273	0.6
182.10066	0.8
191.26819	0.6
191.63184	0.6
195.07744	5.0
199.10896	61.5
200.11249	4.2
208.21014	0.6
214.07405	0.6
225.08853	1.4
239.06754	1.3
243.09885	2.7
248.14096	1.1
266.15100	1.7
292.13077	8.9
310.14136	18.4
310.17691	1.1
311.14398	0.9
328.15073	4.2
354.12839	1.0
372.10010	1.1
372.14127	6.0
373.14661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
58.00589	1.1
59.01385	23.1
63.20116	0.6
70.98923	1.1
71.01389	13.2
72.99308	1.9
83.01387	0.7
85.02960	4.0
89.02460	11.5
95.01405	1.3
101.02454	8.9
108.02195	11.7
111.00900	1.1
113.02451	5.0
119.03510	5.0
121.02971	0.8
122.03766	1.9
123.00891	5.0
123.04543	5.7
124.01706	3.0
128.03549	0.6
131.03519	1.1
134.03780	0.7
136.01677	1.7
137.06084	1.4
149.02434	2.0
150.03242	11.5
151.00371	0.9
153.05594	0.7
161.49556	0.7
165.02010	0.8
165.05571	2.5
173.04521	1.4
177.01927	2.3
178.02731	46.7
179.03082	3.1
193.05074	100.0
194.05441	6.7
216.81131	0.6
373.07147	0.8
373.11725	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	373.1297
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
57.03444	1.2
59.01391	7.2
67.01926	0.7
68.86720	0.6
69.21214	1.5
69.21624	6.0
71.01376	2.8
73.02947	2.1
75.21322	0.6
80.88200	0.7
85.02959	1.4
87.00887	0.9
91.01910	2.0
93.03457	4.2
93.96297	0.6
97.06629	0.8
101.02456	1.3
105.83998	0.7
109.02965	16.1
110.03303	0.8
117.03498	1.7
119.05032	1.2
121.02965	15.8
122.03751	3.3
123.00940	1.5
123.04515	2.6
124.01674	1.3
129.21283	0.7
133.02943	2.3
134.03764	4.6
135.04547	1.4
136.05318	4.0
137.02454	4.7
137.56664	0.7
145.02975	1.0
146.03764	11.0
147.04538	44.9
148.05351	8.9
149.02428	1.3
150.03236	8.8
151.04019	4.0
158.03764	1.8
159.04521	15.5
160.05321	14.2
161.02504	3.6
161.06100	13.8
162.03239	3.6
162.06799	2.1
163.04024	5.2
164.04811	3.6
168.04298	2.2
171.10208	2.0
173.04558	1.4
173.06070	2.0
175.07652	15.3
176.07959	1.4
177.05592	5.4
178.06375	3.6
179.03494	2.3
185.11824	2.7
191.05640	1.0
192.08125	0.8
193.05049	2.0
193.08662	2.7
199.13367	1.6
215.12889	1.8
222.72849	0.7
247.07626	1.1
252.07811	1.7
253.08696	1.0
254.36992	0.7
267.06763	0.7
268.07443	9.6
269.08170	6.0
269.89590	0.7
270.08539	1.0
275.07111	1.6
282.08896	0.8
283.09772	16.5
283.14642	0.9
284.10544	27.4
285.10913	3.1
297.11435	3.0
299.12885	11.3
300.13196	1.9
311.09296	0.7
313.10864	2.7
329.13965	100.0
330.14252	14.4
343.24796	0.9
355.24905	1.2
373.12991	19.4
373.18375	1.9
373.25928	20.4
374.06131	3.3
374.13297	2.3
374.26212	2.7
391.57098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03452	19.1
59.01388	6.1
67.01915	1.4
68.76089	1.1
68.99829	1.6
71.01379	7.4
71.53944	1.0
72.99306	2.0
73.02972	1.4
75.00880	2.0
79.95766	1.6
83.01392	11.1
84.02176	4.1
85.02959	100.0
86.03300	2.6
88.30898	0.9
101.02457	3.2
106.81947	0.9
111.00899	26.1
112.01205	1.0
113.00484	1.2
121.02995	1.3
129.01964	41.0
130.02293	2.0
151.03983	1.2
153.02017	1.9
160.11670	1.5
161.04575	3.1
167.10791	7.6
173.04533	1.6
195.26677	1.2
205.03543	24.6
241.33884	1.1
267.65509	1.2
299.71411	1.2
354.63708	1.3
373.16098	2.6
373.25961	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	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.33036	0.3
59.01387	100.0
60.01721	1.2
67.14226	0.4
69.31590	2.7
70.37035	0.3
71.01401	2.2
73.02972	0.4
85.02982	0.5
87.41813	0.4
89.02462	1.7
90.54798	0.3
98.20631	0.6
101.02470	1.3
113.02470	1.4
119.03560	0.7
132.04619	0.6
152.07271	0.4
153.02040	0.5
161.04633	0.6
176.51448	0.4
221.52911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01385	100.0
60.01715	1.6
61.79331	0.4
65.42838	0.5
67.01908	1.7
69.03484	0.5
71.01389	5.8
72.99352	0.4
73.02951	2.1
83.01413	0.4
85.02973	1.4
89.02448	2.3
93.03468	12.8
95.01438	0.5
99.00902	0.6
101.02454	2.9
111.04572	1.9
113.02478	2.0
119.03500	0.9
137.02475	1.7
137.09770	0.7
155.03500	2.2
155.10793	9.8
156.11125	0.5
161.04575	1.1
173.04559	40.8
174.04942	1.9
199.09778	6.9
245.08321	0.5
331.17514	0.8
373.15103	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	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52686	0.3
59.01384	100.0
60.01724	1.3
69.91560	1.7
71.01384	4.2
72.51197	0.4
73.02963	1.5
80.62277	0.3
83.01399	0.4
85.02971	1.8
89.02472	1.6
93.03477	0.9
98.20639	0.5
101.02467	2.0
113.02472	2.3
124.44017	0.4
161.04614	1.5
173.04568	1.9
218.10980	0.4
331.17734	1.1
373.15103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
58.00633	0.7
59.01387	49.0
60.01727	0.8
60.44488	0.5
60.45069	0.6
63.81775	0.5
67.01900	4.9
67.92193	0.5
69.03457	0.7
71.01388	7.8
71.05025	0.6
71.54606	0.8
73.02948	1.5
79.95731	0.7
80.26335	0.5
81.03471	1.4
83.01411	0.6
83.05037	1.4
85.02966	2.6
87.00885	0.9
87.13186	0.5
89.02483	2.8
89.47259	0.5
90.98587	0.6
93.03468	28.0
94.03809	1.2
97.02983	0.6
97.06621	0.8
101.02477	3.2
105.57936	0.5
109.02978	1.7
111.00915	1.6
111.04553	4.8
113.02453	2.4
113.09751	0.7
120.99599	0.7
123.08178	1.5
125.02415	0.5
125.09682	0.8
127.03986	0.7
133.02933	1.4
135.04526	1.3
137.02455	5.4
139.11349	1.1
141.09300	0.7
151.00372	1.1
153.01898	1.3
153.09097	0.6
155.03499	4.8
161.02428	1.4
161.04625	1.6
166.12408	0.5
168.04276	0.6
173.04565	100.0
174.04897	4.9
176.04083	0.7
187.85222	0.6
191.05620	1.9
199.13416	13.8
242.32683	0.6
283.53018	0.6
285.04016	7.7
285.12466	0.7
286.04416	0.8
331.17413	0.9
343.21436	0.9
373.05392	0.9
373.18542	8.0
373.22421	15.7
373.26031	0.9
373.27194	1.0
374.06183	2.1
374.18793	1.4
374.22800	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	373.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
58.65673	1.5
59.01116	2.0
59.01385	20.8
63.57088	1.4
71.54276	3.0
72.10041	1.8
93.07047	1.9
121.10239	16.1
125.09747	8.1
185.11810	9.4
194.04462	1.7
197.11826	3.6
207.09872	3.5
211.13399	1.8
245.19191	9.3
291.19693	62.6
292.20050	9.7
311.16583	2.2
313.17871	100.0
314.18234	13.5
373.18982	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	373.2596
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.62488	0.3
57.03456	4.1
59.01384	2.8
59.75201	0.3
66.21914	0.3
69.22390	2.7
71.01373	0.7
71.05021	1.1
73.02950	0.5
75.00882	0.5
83.05035	0.7
83.20995	0.3
85.02950	0.6
87.00877	0.9
87.04516	1.4
93.03468	2.0
93.07111	0.4
95.05014	1.1
97.06598	9.4
98.06967	0.4
99.04576	0.4
106.06633	1.2
109.02924	0.4
111.00160	0.3
111.04534	0.8
113.02498	0.3
113.09744	0.4
119.05090	0.3
119.08703	0.4
121.02914	0.3
121.06622	0.5
123.08163	0.6
125.09766	1.5
127.07662	2.4
133.02948	1.0
134.03754	0.7
135.04509	1.0
137.02473	0.8
137.09729	1.4
139.11296	0.3
143.10754	0.5
145.02960	0.4
152.07155	0.6
155.03465	0.5
155.10800	1.3
161.02440	0.7
163.04002	0.6
165.27895	0.3
171.06653	0.7
171.10301	0.6
171.13873	0.3
173.04552	4.1
176.04065	0.5
178.02779	0.4
179.03496	0.7
183.13879	0.9
185.11850	3.5
186.12248	0.4
187.09721	0.5
189.01791	0.4
191.05573	0.4
199.13409	34.3
200.00877	1.2
200.13733	2.4
201.01845	0.4
201.11336	0.9
202.95161	0.3
211.17023	0.9
215.12918	1.6
225.15002	1.0
227.16522	1.1
239.16539	6.2
240.16859	0.8
285.12433	0.7
305.72882	0.4
313.23798	0.7
325.23804	0.5
343.24927	3.8
344.25201	0.5
355.24893	2.0
356.24820	0.4
373.25958	100.0
374.06161	4.3
374.26328	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.3
58.00595	0.6
59.01393	4.7
59.01862	0.5
67.01865	0.5
69.03489	0.5
71.01383	3.0
71.05017	1.3
73.02961	1.2
81.03462	1.0
81.25952	0.5
83.01393	0.9
83.05027	1.4
85.02959	11.1
86.03351	0.5
87.00896	4.8
87.04527	1.2
89.02457	1.5
93.03467	4.6
97.06581	1.2
97.84869	0.5
99.04451	0.5
101.02447	1.7
111.00923	2.7
111.04554	1.8
113.02473	1.7
115.62479	0.5
119.03504	1.0
121.02986	0.8
121.10229	1.7
123.08170	0.8
125.09750	0.5
129.01941	4.8
133.02971	7.4
134.03751	2.1
135.04506	4.0
137.02509	2.3
137.09743	1.3
139.04021	0.7
139.11324	1.3
141.12817	0.8
155.03545	1.3
157.05081	1.1
157.12296	1.2
161.02367	0.9
161.04570	1.1
166.00429	0.4
167.10756	0.9
169.12340	1.4
173.04579	2.2
177.01917	0.6
178.02715	1.6
179.03500	3.8
185.11848	3.1
188.00873	0.6
199.13409	4.7
200.00954	5.8
201.01765	1.4
205.03523	1.8
215.12904	9.6
223.04710	0.9
227.16556	0.9
239.73256	0.5
262.60815	0.5
271.19156	5.7
285.20801	1.0
307.08194	1.1
313.23804	1.6
325.23962	2.9
326.24271	0.6
341.23349	0.8
343.24881	7.9
344.25531	0.6
355.24863	2.7
356.25095	0.8
363.17209	0.5
371.24283	1.1
373.25964	100.0
374.06198	31.1
374.26306	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	373.2598
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.01884	1.4
57.03454	10.4
59.01385	17.5
67.01895	1.1
69.74329	2.1
69.74720	1.3
71.01398	4.7
73.02949	1.8
79.05524	0.6
83.01389	4.5
85.02961	38.9
86.00096	0.6
86.03298	1.0
87.00880	2.1
87.04507	1.9
89.02451	1.6
89.69132	0.7
93.03461	2.0
95.05023	1.0
97.06597	12.8
98.19986	1.1
101.02450	2.4
111.00896	10.1
113.02460	1.1
123.08170	1.0
129.01953	16.5
133.02939	2.0
134.03743	1.0
135.04530	1.1
137.09735	1.8
161.04604	1.4
167.10785	2.5
173.04637	0.8
178.02675	1.1
179.03505	0.9
185.11815	2.1
199.13422	44.8
200.00909	1.8
200.13718	3.6
201.01677	0.7
205.03572	7.3
211.17131	1.5
223.04634	2.9
227.16588	1.2
239.16547	6.8
278.08603	0.8
293.08115	0.8
325.23895	0.8
338.96207	0.6
343.24857	2.5
355.24741	1.0
373.25946	100.0
374.06189	11.7
374.26364	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	373.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.15702	9.6
65.88750	11.1
71.29457	9.4
72.62529	9.4
81.71345	9.9
115.11139	9.4
153.02022	14.6
167.36592	10.6
228.78615	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	374.1569
Annotation	Glu-Asp-Ile
Peak:m/z	Relative Intensity
55.41439	0.6
57.03469	0.5
60.66520	0.5
69.64020	1.6
69.64447	1.9
74.02491	0.8
79.68500	0.5
82.02995	3.9
84.04562	2.2
85.02971	1.1
93.78621	0.5
96.00925	1.8
102.05635	0.6
109.53471	0.5
112.04039	0.8
116.07189	35.1
117.07554	0.6
127.05151	1.3
128.03555	100.0
129.03906	3.7
131.67264	0.8
157.13480	0.9
167.58800	0.6
183.11395	5.2
199.05569	0.6
199.10933	0.5
201.12428	0.9
209.09341	2.6
227.10439	10.7
228.10768	0.7
230.90260	0.6
239.06792	3.8
245.11427	16.2
246.11847	1.3
294.11780	1.1
338.13669	3.7
339.13629	0.8
356.14801	6.1
357.15073	0.8
374.15714	16.2
375.15982	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	374.1572
Annotation	Glu-Asp-Ile
Peak:m/z	Relative Intensity
59.01392	2.6
65.31434	0.4
70.90130	0.9
74.02491	0.6
82.02989	2.4
84.04567	2.4
85.02959	0.6
87.78326	0.4
93.47445	0.4
112.04044	0.7
116.07188	34.7
117.07569	1.2
123.27717	0.4
125.89242	0.5
127.05160	1.6
127.08740	0.7
128.03555	100.0
129.03893	3.1
135.04559	0.4
137.99565	0.6
138.03230	0.6
146.04643	0.4
153.05569	0.9
165.10292	0.7
174.99124	0.5
183.11417	4.6
195.07802	1.3
197.00882	0.5
200.11108	0.5
209.09370	2.6
217.00346	1.6
227.10390	11.6
228.10678	0.5
239.06708	3.4
245.11441	16.4
246.11787	1.3
251.06451	0.5
338.13477	2.7
339.14059	0.5
356.14651	7.8
357.14938	0.6
374.15707	16.0
375.16116	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	374.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	0.3
59.01386	3.6
62.16108	0.2
71.53700	0.3
100.07722	0.3
101.06095	1.3
124.07676	0.6
141.08012	0.2
143.27892	0.2
148.07716	0.2
168.29102	0.2
174.99214	1.3
175.15225	0.2
177.21512	0.2
189.10300	0.6
216.11430	0.3
217.00346	3.8
232.10924	10.7
233.11177	0.7
272.17722	0.3
289.17819	1.4
290.18744	3.1
316.16681	1.1
318.18289	0.4
358.21347	0.8
374.24490	100.0
375.24811	15.1
375.29724	0.3
385.91171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.1
57.23921	1.3
59.01390	6.4
59.23230	1.4
60.99309	2.3
69.03452	1.5
71.01393	2.4
75.98673	1.3
85.02914	1.8
88.98820	19.9
101.02444	1.4
113.28150	1.4
133.02957	3.0
135.04582	1.9
151.00409	3.0
161.02495	1.3
164.01889	1.2
166.08394	1.3
175.03929	1.8
183.13930	3.0
185.11801	1.9
199.13463	1.6
206.07440	3.5
218.07199	1.5
221.09683	3.0
229.97058	1.5
232.08922	2.8
233.06166	1.9
233.09641	2.3
234.06889	10.1
235.05449	1.5
235.07581	1.9
248.08424	1.9
249.09261	23.6
250.09569	2.9
255.03127	1.4
261.05658	4.8
262.06320	18.5
263.06686	2.2
277.08713	100.0
278.08990	10.8
283.02539	2.7
285.04019	15.5
286.04477	1.7
295.09872	11.2
299.10645	1.4
314.99731	8.3
316.00400	7.0
317.00916	1.8
331.02905	15.9
332.03299	1.5
357.04431	45.6
358.04819	2.4
374.26175	6.9
374.93741	2.4
375.05450	19.1
375.20349	3.0
375.27533	59.1
376.05887	2.3
376.28067	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	375.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61290	1.0
57.03448	2.2
59.01389	6.6
60.99316	1.4
71.01392	2.0
71.55074	1.6
79.95772	1.0
85.02989	1.6
88.98820	9.8
103.74274	0.9
107.89745	1.0
113.02398	0.9
113.89563	1.0
114.72926	1.0
133.02979	2.0
135.04512	1.7
151.00323	1.3
173.04578	1.8
191.05609	1.8
192.73064	1.1
199.13434	5.9
206.07428	4.9
211.16933	1.5
217.00208	1.5
220.08920	1.5
221.09740	3.2
222.92467	1.8
232.08960	1.6
233.06064	2.9
233.09782	2.9
234.06906	8.6
235.07559	2.1
248.08208	1.3
249.09213	28.2
249.11787	1.4
250.09595	3.8
261.05634	5.0
262.06390	18.1
263.06689	2.3
267.15677	1.2
275.06992	1.4
276.08069	1.5
277.08713	100.0
278.09024	12.1
285.04037	7.2
295.09842	12.1
329.23434	1.3
357.04407	50.5
358.04800	5.2
374.26157	2.6
374.93555	2.4
375.05478	17.7
375.20230	3.2
375.27545	52.1
376.27826	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	375.1311
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
55.01866	0.5
57.03465	0.7
58.99609	1.1
59.01387	13.0
69.33734	1.0
69.34135	3.6
71.01389	7.0
71.48972	0.5
72.99328	0.7
73.02953	1.7
83.01402	1.2
85.02963	4.9
87.00876	1.2
89.02442	4.9
89.30270	0.5
93.03472	2.2
95.01398	0.6
96.96023	0.7
101.02451	6.1
102.05646	0.6
111.00840	0.6
113.02473	2.9
119.03499	2.4
127.04019	1.3
128.03548	0.6
131.03574	0.6
143.03519	0.6
144.08182	1.6
146.04617	1.0
147.05005	0.6
149.02477	1.3
150.03221	2.4
157.12505	0.5
158.21561	0.5
161.04634	1.2
163.90897	0.5
165.05576	3.1
169.07751	0.7
169.49478	0.6
173.04567	3.9
177.09149	1.1
184.08795	2.8
187.04379	0.6
191.05617	5.5
195.06590	1.6
197.05939	1.6
198.06750	3.7
201.11363	0.9
212.08293	22.2
213.08659	2.3
217.00395	1.0
225.24283	0.5
240.06554	2.9
241.07353	12.9
242.07648	0.9
255.08894	100.0
256.09198	10.4
257.10562	0.8
272.05734	0.9
340.01205	0.5
354.03253	0.5
357.15674	3.8
375.12289	3.7
375.16940	10.2
376.17102	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	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43335	1.9
59.01376	13.2
66.92930	1.7
71.01371	3.6
71.01712	3.5
73.02950	3.1
85.02954	3.3
93.03454	7.3
101.02438	2.9
104.06006	1.5
121.02990	16.0
122.03769	10.2
133.02928	2.3
146.03752	5.9
147.04512	3.1
149.02458	100.0
150.03250	58.2
151.03596	3.5
161.06053	3.4
164.04817	20.6
165.05586	74.8
166.05937	2.9
171.10249	3.2
172.46315	2.0
176.04010	3.3
179.07169	10.5
180.04297	3.2
191.05652	2.8
195.06664	24.8
218.89209	1.7
246.37576	1.7
279.43768	1.6
283.09714	2.1
312.10104	28.1
313.10550	2.9
327.12399	80.0
328.12732	11.6
333.15640	3.9
375.16489	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	375.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01442	12.3
62.68354	0.6
63.35599	0.7
69.31951	2.3
69.32378	3.1
71.01392	10.9
80.91735	0.6
101.68340	0.6
108.91106	0.7
127.07738	1.5
137.48692	0.6
141.40524	0.7
144.63205	0.6
151.07724	0.7
164.08466	0.9
174.99341	3.1
177.09274	4.4
190.10126	2.1
192.11595	7.5
193.12070	0.8
205.12364	3.9
207.13965	2.2
217.00336	13.8
218.09491	2.0
220.14709	40.8
221.15489	100.0
222.15825	8.7
227.76648	0.7
235.13376	1.7
236.10559	95.7
237.10902	8.5
241.36638	0.6
264.08603	1.0
275.16586	1.2
277.52899	0.7
278.08002	1.0
293.17624	39.3
294.17972	5.9
318.09607	6.2
319.09851	1.0
321.15549	1.8
335.13565	1.1
375.06268	0.8
375.17712	8.5
376.17981	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	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05125	0.8
67.05213	0.7
70.76261	2.2
72.44599	0.7
73.99458	0.8
74.99074	2.5
78.52060	0.8
99.79075	0.8
108.62590	0.7
123.41762	0.7
131.45909	0.8
143.01436	0.8
149.01001	1.0
159.08475	11.0
161.06438	3.3
209.01277	3.0
217.07184	1.9
275.05914	0.9
277.07596	2.9
289.07562	2.1
291.09131	96.1
292.09262	13.4
343.12323	0.9
357.13873	1.3
359.15378	100.0
360.15564	20.5
375.18478	6.5
376.18561	2.0
377.16492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16525	1.0
71.16854	0.7
74.99097	2.3
80.51838	0.6
80.61388	0.7
84.55229	0.6
91.79182	0.6
93.00201	0.7
110.96944	0.6
139.18500	0.8
149.00943	0.7
159.08495	9.5
161.06424	2.4
192.98241	1.0
209.01309	2.5
217.07228	1.1
239.63394	0.6
275.06049	1.3
277.07541	3.5
278.38678	0.7
289.07535	1.3
291.09134	100.0
292.09216	14.2
343.12173	0.8
357.13669	3.0
359.15366	98.6
360.15533	18.2
375.18497	3.7
376.18460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01119	1.4
59.01390	21.1
71.53586	2.5
72.96342	1.3
75.00880	5.9
96.96036	1.9
122.98956	1.3
123.42351	1.3
135.45386	1.2
157.37132	1.3
167.03549	1.4
171.26831	1.2
277.21744	100.0
278.22168	11.7
293.17981	2.9
311.66110	1.5
375.19781	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	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19106	0.7
59.01387	100.0
60.01733	1.1
61.11769	0.7
71.01397	2.5
71.09632	0.6
75.19568	0.8
81.72929	0.6
85.02975	1.4
86.92486	0.6
89.02499	0.8
91.10925	0.7
98.20708	1.0
101.02470	1.3
113.02467	1.1
161.04562	2.4
246.20868	0.7
315.18039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82913	0.6
59.01385	100.0
60.01706	1.0
71.01402	2.7
71.54351	1.0
75.35321	0.6
78.65685	0.6
78.95925	1.8
81.59508	0.8
85.02979	2.1
89.02466	0.7
101.02495	1.8
113.02468	1.7
113.12653	0.7
137.06133	1.2
159.56952	0.6
161.04597	2.2
161.37787	0.6
171.00725	0.7
174.99344	0.8
179.03513	0.7
188.02824	0.6
191.05775	0.8
217.00304	4.1
251.10867	1.5
295.09750	1.3
315.18243	1.4
321.17175	1.4
375.05554	1.6
375.14453	2.0
375.21890	1.1
375.27615	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	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03450	1.1
58.00607	2.1
59.01387	49.5
60.01713	0.9
69.23827	3.8
71.01389	25.0
72.01701	0.7
72.99300	2.0
73.02944	0.8
83.01387	2.4
85.02954	7.1
87.00876	0.9
88.98799	0.7
89.02456	22.2
95.01403	3.0
99.00893	0.6
101.02454	18.7
105.11052	0.5
113.01722	0.8
113.02462	10.3
119.03514	7.1
120.03809	0.5
131.03488	0.6
133.88715	0.5
183.13884	0.6
195.13914	11.3
196.14182	0.8
213.14929	4.3
249.09059	0.6
277.08682	2.0
285.04095	0.7
357.04074	0.8
357.19052	0.7
375.20261	100.0
376.20584	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	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.6
58.00605	0.9
59.01386	100.0
60.01724	1.7
61.98832	2.1
67.01891	1.1
68.99821	2.0
71.01387	10.3
71.05046	1.0
72.21239	1.0
72.99310	1.1
73.02943	3.0
75.69878	0.9
83.01420	1.7
83.05052	1.1
85.02956	4.6
87.00898	1.4
87.04517	1.9
89.02441	4.4
93.03467	3.1
95.01411	1.2
96.95998	2.1
100.04115	1.0
101.02472	3.7
108.02187	6.4
109.02946	2.3
111.04503	1.3
113.02479	3.3
118.98074	0.9
119.03465	1.5
120.99678	1.4
121.02952	2.1
121.10265	1.8
122.03770	0.9
123.00909	3.0
123.04549	4.7
123.08141	1.1
133.02936	2.9
134.03780	1.0
135.04555	5.0
137.02472	1.3
138.03230	5.3
139.11327	1.4
143.10791	2.0
143.64580	0.9
150.03239	3.9
155.03545	0.9
161.02521	5.4
161.04453	1.0
162.03275	4.9
163.03984	3.1
166.06329	3.7
169.12343	1.5
173.04607	8.0
173.11844	3.7
173.13307	0.9
174.04901	1.7
174.99164	1.1
176.04056	6.2
177.00075	0.8
177.05623	5.9
178.02702	7.3
179.03520	5.4
180.03937	1.0
181.08669	1.3
187.13464	1.2
191.04085	0.9
191.05594	6.4
193.05054	9.6
196.83003	1.1
199.13405	2.7
201.15054	2.2
209.11835	2.3
217.00282	1.0
217.14467	3.9
258.01666	1.0
273.03995	1.2
275.07626	1.1
295.09708	1.7
333.18909	1.0
335.07715	2.3
345.13321	1.5
375.06732	2.5
375.14532	14.9
375.20139	11.6
375.27536	14.1
376.15543	1.0
376.20599	1.7
376.27521	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	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02748	1.2
59.01385	54.7
71.01395	1.5
71.54284	1.6
95.05035	3.8
97.34216	1.2
99.77097	1.4
100.13983	1.2
109.06581	2.5
121.10243	27.4
122.10586	1.5
122.21941	1.4
149.09724	1.7
152.53220	1.1
171.10283	61.0
172.10603	4.2
174.28099	1.4
174.99258	5.4
183.13942	2.4
185.11856	2.3
207.09949	2.3
217.00291	19.8
221.15520	1.3
231.21095	4.1
253.09421	3.2
275.20166	100.0
276.20526	11.0
278.11423	11.1
293.21243	84.3
294.21582	12.3
297.18185	1.8
315.19431	48.1
316.19894	7.7
329.17322	1.5
333.19037	2.0
359.18317	6.7
375.21198	37.9
376.21259	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	375.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.8
58.00594	0.6
59.01386	2.6
69.03458	0.7
69.58354	1.1
71.01389	0.6
71.05027	0.2
73.02947	0.7
75.30565	0.2
75.81359	0.2
85.02959	0.7
87.04508	0.9
88.98805	0.2
89.02453	0.4
93.03457	0.5
93.33229	0.2
95.05041	0.2
96.96023	0.2
97.06594	0.7
98.20678	0.3
101.02441	0.3
109.06609	0.4
111.08175	0.3
113.02481	0.2
113.09750	0.3
114.44563	0.2
123.08147	1.3
125.09736	0.5
133.02948	0.4
135.04544	0.5
135.08157	0.6
138.06897	0.3
139.11314	1.0
141.09224	0.4
141.12895	0.8
143.10785	0.4
153.09230	0.8
155.03448	0.2
155.10767	0.5
157.12340	1.6
161.02454	0.6
169.12369	1.3
171.10271	0.3
171.13918	0.2
173.04552	1.0
176.03990	0.3
179.03545	0.3
185.11845	2.9
187.13362	0.2
192.57764	0.2
199.13326	0.2
201.01167	0.2
201.11227	0.2
206.07370	0.3
215.12862	1.5
217.00381	0.4
220.08980	0.2
221.09747	0.3
222.92604	0.2
233.09761	0.4
234.06848	0.9
249.09196	2.7
250.09590	0.2
250.53358	0.2
251.20132	0.3
261.05527	0.4
262.06427	1.9
277.08719	10.0
278.09033	1.4
287.22168	0.3
293.21231	0.3
295.09665	1.0
311.22311	0.5
314.99777	0.3
316.00320	0.4
327.21725	0.5
327.25485	0.4
329.23352	3.0
330.23715	0.4
331.02805	0.7
332.03217	0.2
335.07877	0.2
339.25470	0.9
355.25067	0.3
357.04428	4.8
357.26495	4.2
358.04721	0.8
358.26511	0.4
373.25980	2.9
374.26334	0.4
375.05643	1.5
375.27524	100.0
376.06006	0.3
376.27850	14.8
384.59845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83353	0.3
53.11942	0.3
54.65541	0.3
57.03465	1.8
58.00603	0.4
59.01385	4.2
69.03456	0.4
71.01400	0.8
71.05037	0.4
71.54259	0.4
85.02991	0.3
87.04539	0.9
89.02464	0.4
93.03475	0.3
97.06593	0.9
101.02463	0.7
109.06599	0.5
109.45759	0.3
113.09755	0.4
123.08179	1.4
125.09777	0.5
135.04558	0.3
135.08165	0.6
139.11272	1.0
141.09236	0.5
141.12854	0.8
153.09239	0.7
157.12355	2.0
169.12321	1.1
173.04518	0.8
185.11838	2.5
191.05666	0.3
195.13948	0.4
215.12881	1.7
217.00359	0.9
277.08676	0.3
277.87747	0.3
311.22470	0.4
327.21707	0.5
327.25372	0.6
329.23312	2.7
339.25415	0.9
355.25079	0.4
357.26495	3.8
358.26984	0.3
373.25909	3.0
374.26395	0.4
374.89240	0.3
375.19974	2.9
375.27542	100.0
376.27875	13.5
376.32773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44120	1.9
50.53842	2.2
54.25923	2.2
59.01385	100.0
61.94559	1.9
61.98834	2.9
62.56082	1.9
66.26098	1.9
71.53242	2.3
71.53664	3.2
74.57127	2.5
76.92053	2.0
123.38759	2.1
148.65286	2.1
172.67548	2.0
183.34419	2.3
218.00755	5.2
236.65067	2.4
341.10672	2.6
362.62762	2.2
376.24884	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	377.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71781	0.6
53.74510	0.6
59.01380	1.8
61.98846	1.0
66.34361	0.7
71.54455	0.7
76.05177	0.6
79.55962	0.7
83.72422	0.6
113.88885	0.7
129.30333	0.8
134.56114	0.7
161.13741	0.6
170.21652	0.6
179.05753	0.7
208.08949	0.7
234.06897	1.9
235.07547	0.7
236.08446	4.3
249.09241	26.3
250.09546	3.1
251.10786	100.0
252.11125	10.7
268.07458	3.4
295.09775	67.2
296.10071	7.3
309.09793	5.1
310.10269	0.8
315.16226	1.0
341.10947	1.9
351.10870	4.6
377.08810	4.8
378.02155	1.8
378.08691	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	377.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13269	0.6
55.01888	1.1
57.03452	1.2
58.00605	0.7
59.01385	100.0
60.01716	1.2
66.67476	0.4
70.91545	1.3
71.01389	20.2
71.05052	0.7
72.99315	1.1
73.02954	5.1
74.96071	0.5
83.01418	3.2
85.02953	7.8
87.00890	1.2
89.02452	6.9
95.01418	1.9
99.00890	2.3
101.02451	15.3
112.93810	0.5
113.02459	8.8
113.03265	0.5
119.03548	2.3
119.05079	0.5
127.11355	0.6
131.03499	0.6
135.04512	0.5
143.03517	0.9
159.03017	1.4
161.04564	9.2
173.04575	0.8
173.15457	2.2
189.67584	0.6
317.20032	1.2
335.20776	22.6
336.21152	2.3
341.10962	2.0
377.08795	0.8
377.22092	0.8
377.28345	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	377.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	1.5
59.01386	21.8
64.71616	0.9
71.53812	1.1
82.17084	0.9
95.05028	2.2
96.96003	1.3
125.09766	1.6
127.78381	1.0
141.12836	1.3
151.11259	1.1
171.10281	34.4
172.10596	1.6
191.06937	1.1
249.22256	1.9
277.21738	46.6
278.22061	3.6
295.22797	100.0
296.23181	12.6
317.20956	28.9
318.21262	3.3
333.22855	1.1
335.20816	1.4
361.20065	6.6
377.22882	26.9
378.22931	4.1
387.10696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	98.7
79.30653	47.4
81.05747	45.4
82.04635	48.8
83.95740	50.9
86.90247	48.4
90.58915	50.3
97.99019	49.0
142.01205	50.2
191.01024	48.0
267.23276	100.0
306.10846	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03455	100.0
58.03787	1.9
59.01385	91.6
60.01740	2.0
60.21771	1.1
63.86804	1.2
69.36906	9.9
71.01385	15.0
72.99319	1.3
73.02950	5.7
75.00879	2.3
76.69889	1.3
79.26449	1.1
83.01407	4.1
85.02959	19.1
88.98751	1.1
89.02472	4.5
96.21829	1.1
96.96016	2.6
98.20606	2.1
99.00866	2.1
99.04530	71.7
100.04878	1.4
101.02450	33.6
102.02748	1.2
111.00906	4.4
113.02448	7.4
119.03506	1.6
125.02473	20.8
129.01962	4.8
131.23898	1.3
139.51807	1.2
143.03503	2.5
161.04588	6.9
171.80341	1.1
173.04604	3.8
173.11835	1.4
191.05615	1.6
205.03522	4.1
206.08192	1.5
212.98643	1.4
217.02910	1.7
235.09558	1.9
235.11882	32.7
236.12184	3.7
277.12939	1.9
335.11490	2.0
341.10876	5.0
361.10471	3.5
379.01343	7.9
379.08380	3.3
379.15533	2.2
379.20132	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01385	74.8
69.50725	9.0
69.51250	1.5
71.01392	8.5
73.02956	4.7
79.83160	1.6
81.68338	1.7
83.01381	3.6
84.39011	1.3
85.02960	7.3
99.04530	66.4
101.02444	32.9
113.02428	5.4
125.02460	18.7
143.03468	2.5
146.49707	1.5
161.04559	5.4
161.05917	1.6
194.02176	1.6
195.02362	1.7
235.11884	31.3
236.12173	3.0
277.12778	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	380.1565
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.83589	0.5
59.01387	19.0
62.37868	0.5
70.71664	0.8
70.71970	0.7
71.01387	30.9
71.05026	8.1
72.01711	0.7
73.02959	1.3
79.63010	0.7
83.01405	1.3
85.02949	3.5
87.00874	0.7
87.68307	0.6
88.04054	5.1
89.02454	7.6
95.01372	1.0
99.04523	2.1
101.02444	8.3
113.02461	4.8
116.03535	1.0
116.07178	1.4
119.03506	2.6
128.07185	2.0
146.08243	60.4
147.08594	2.3
158.55739	0.6
160.22795	0.6
161.04568	2.0
200.09358	0.9
218.10316	0.8
308.13522	6.0
362.14609	2.0
380.15625	100.0
381.16037	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	380.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01730	1.9
63.35712	1.8
66.93615	1.6
67.44222	1.5
69.73702	2.6
69.74110	7.8
69.79453	1.6
73.45088	1.7
81.83973	1.5
91.65980	1.8
96.95899	1.5
98.19927	1.7
104.26139	1.6
114.73164	1.5
152.99634	1.6
203.20271	1.9
217.00285	6.9
237.70509	2.0
255.02908	3.1
278.05634	1.7
381.09839	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	381.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
63.02410	1.0
63.77243	0.5
68.85759	0.5
70.58340	1.3
70.58691	0.8
74.97379	0.5
82.54269	0.5
83.01369	0.6
98.19977	0.7
107.01384	1.7
151.00369	2.5
183.04463	1.2
185.02411	0.7
211.04118	0.7
227.03476	1.5
240.04306	0.6
255.03003	100.0
256.03503	13.3
256.15524	0.6
283.02502	31.9
284.03259	33.0
285.03757	2.9
309.07663	1.2
381.09814	88.4
382.10172	11.3
398.10660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.48237	1.0
59.75203	1.1
60.39064	1.1
60.91877	1.3
61.17831	1.1
63.02404	9.5
63.14543	1.1
65.00332	25.3
69.26364	8.2
81.03432	1.4
83.01398	13.6
90.74118	1.2
98.19932	2.0
107.01404	32.0
118.16690	1.3
123.04507	4.1
124.01627	1.2
125.02469	18.6
125.32942	1.2
146.03766	1.6
149.02431	1.3
151.00381	100.0
152.00720	3.4
161.02518	2.3
165.01917	2.0
167.03506	5.0
172.05339	18.2
173.05780	1.9
174.03239	1.5
185.06091	2.5
186.06902	4.0
199.03789	1.2
199.07651	2.8
200.04863	2.5
200.08365	2.3
201.09233	96.0
202.09573	7.9
223.07700	1.7
225.09216	1.2
226.02933	1.4
227.07159	2.2
229.08704	53.9
230.09001	4.4
251.07138	5.9
255.03101	3.3
255.06607	5.9
256.03781	1.6
279.06696	3.0
283.02457	2.2
284.03067	1.2
308.03253	1.7
309.04144	11.4
310.04568	2.3
324.02689	2.1
335.09280	6.5
337.07065	2.3
353.10263	13.6
354.10703	1.8
363.04187	2.8
363.08768	63.4
364.09052	6.2
381.09818	86.2
382.10004	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	381.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91821	0.6
63.14667	0.5
65.00317	1.7
68.61976	0.6
83.01389	1.6
89.63467	0.6
107.01405	2.8
114.81897	0.6
125.02447	0.8
125.61541	0.6
135.02538	0.6
146.03754	1.5
149.02487	1.4
151.00362	6.5
172.05292	1.8
185.06070	0.7
201.09222	7.6
202.09679	0.7
225.57971	0.6
227.03513	0.9
243.10135	0.7
255.03029	4.6
256.03674	1.0
267.10187	1.3
270.05261	1.9
283.02466	5.0
284.03186	2.8
285.03647	0.6
285.11624	0.8
295.06195	1.0
296.06870	1.7
297.04227	0.8
298.04840	7.2
307.06079	2.1
309.04041	4.3
310.04568	1.1
321.07916	0.7
323.05609	12.6
324.06378	16.5
325.06671	2.5
330.03781	1.7
335.09579	0.9
337.07303	10.2
338.07687	1.6
351.08932	0.7
352.09555	0.8
353.10315	58.8
354.10684	9.0
363.08652	1.3
381.09811	100.0
382.10181	15.6
385.66534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61278	0.4
57.03445	1.6
57.87025	0.4
60.80221	0.5
63.02399	1.5
65.00324	5.9
67.07875	0.5
70.49100	0.6
70.49427	1.2
83.01385	4.2
107.01392	7.5
123.04511	2.3
124.01617	0.7
125.02467	9.0
126.02846	0.6
151.00380	28.7
152.00830	1.6
159.04523	0.8
161.02449	5.8
165.01945	1.9
167.03523	3.7
171.04572	0.9
172.05313	5.8
173.06003	0.6
175.04007	2.9
177.01935	1.0
182.03740	0.7
183.04500	1.5
185.06071	3.6
186.06857	1.7
187.04077	2.5
188.04742	1.4
196.05260	2.2
198.03125	0.9
199.03998	1.0
200.04816	3.2
200.08429	0.7
201.07524	0.6
201.09268	3.9
209.06119	0.6
210.06845	0.7
211.03970	0.6
211.07593	4.0
213.05545	1.3
214.02724	0.7
214.06332	1.0
215.03529	0.8
215.06873	0.5
217.33640	0.5
223.03931	0.6
224.04788	5.1
225.05412	0.7
225.09314	0.6
226.02654	1.2
227.03413	1.7
227.07092	0.8
229.08708	9.3
233.06007	0.6
234.81511	0.5
236.31357	0.5
236.91750	0.6
237.05565	2.0
238.06322	1.0
240.04214	1.2
241.05109	0.5
243.03014	0.8
248.04703	1.0
249.05708	1.0
250.02687	0.6
251.03491	0.9
253.05121	1.5
253.08646	1.4
255.02925	1.5
255.06606	4.0
261.05545	1.0
262.06223	1.6
263.03552	2.0
264.04303	3.1
265.05066	1.9
266.05832	1.2
277.05209	2.5
277.08496	0.5
278.05728	0.9
279.06546	1.5
280.03729	0.7
280.07327	0.8
281.04495	1.6
283.02383	1.3
283.05862	0.6
293.04532	0.9
293.80627	0.6
294.05341	0.7
295.02585	0.8
295.09818	1.5
296.03235	0.8
305.04559	1.5
306.05173	2.3
307.06058	1.7
308.03448	2.4
309.04065	14.4
310.04352	1.2
322.04834	3.3
323.05560	8.0
324.06042	0.8
326.69342	0.6
333.04037	1.4
334.04849	4.4
335.05524	0.9
337.07190	20.9
338.07437	2.3
351.04996	3.3
352.05725	2.5
354.03867	0.8
363.08762	2.8
364.09000	0.7
381.09808	100.0
382.10147	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	381.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67088	0.3
63.02420	0.6
65.00324	0.4
67.11553	0.3
69.70996	1.7
89.19479	0.3
92.62555	0.3
98.19952	0.3
103.09737	0.3
107.01390	0.7
110.20404	0.3
136.39474	0.3
139.05579	0.3
151.00372	1.2
155.05069	0.7
159.04501	0.5
160.52907	0.3
167.04993	0.5
169.02975	0.4
174.92676	0.3
182.03671	0.3
183.04539	1.5
185.02531	0.3
199.03961	0.6
213.01984	0.4
217.00275	0.3
227.03539	1.0
255.03011	100.0
256.03391	9.7
283.02502	28.6
284.03125	6.8
295.06302	0.4
310.92029	0.3
323.05569	0.7
381.09818	83.5
382.10150	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	381.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.7
69.74866	2.5
69.75271	7.0
71.01388	3.6
71.05035	5.1
72.00922	2.8
72.99319	1.9
74.99091	6.9
76.64752	1.1
78.95918	3.4
82.02998	2.9
87.00893	6.9
88.04047	2.1
89.02469	4.3
92.05112	1.2
92.76002	1.3
96.95423	0.8
96.96026	22.2
98.24285	1.2
99.04516	1.4
100.04013	1.2
101.02438	1.5
116.05058	3.7
128.01784	12.1
128.03522	2.1
131.03769	2.0
132.04572	8.1
136.99158	7.1
142.06657	2.3
143.06197	1.6
144.04562	6.5
146.08244	12.8
152.91791	1.7
156.06921	5.7
157.07692	6.1
158.06149	2.2
159.05565	1.9
159.71091	1.4
160.04092	9.4
167.06155	13.8
169.07693	3.7
171.09297	8.0
172.03960	1.8
173.07225	8.9
176.70732	1.4
180.06870	1.5
181.07733	53.6
182.06239	1.6
182.07997	3.8
187.08777	1.9
191.05743	1.9
197.07245	4.8
199.08801	33.4
201.06728	3.4
217.09866	3.4
222.24060	1.3
226.05104	4.1
243.07755	25.2
244.07957	1.7
261.08817	100.0
262.09219	7.8
264.92017	1.2
273.08813	2.5
275.10803	9.3
319.13187	1.8
343.11514	4.6
363.02258	1.6
363.12082	4.1
381.03207	8.7
381.08765	2.7
381.13187	32.3
382.13544	4.2
399.69052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1336
Annotation	Alisiaquinone B
Peak:m/z	Relative Intensity
56.98021	2.2
59.01382	7.4
61.57782	1.1
61.98816	1.2
63.96247	2.9
70.02983	2.4
71.01416	6.4
71.05027	19.1
71.53413	1.8
72.00909	1.5
72.99323	7.1
73.98320	1.8
74.00714	8.4
74.98692	1.9
74.99107	32.2
78.95901	4.5
82.02986	7.2
83.16571	1.2
85.02922	1.5
86.63385	1.4
87.00878	29.2
88.04052	3.5
93.03439	2.0
96.96017	33.8
99.04525	5.6
100.22348	1.1
101.00674	2.2
101.87257	1.2
106.82786	1.2
110.00709	3.4
111.05653	3.0
113.07206	2.2
114.05667	1.9
116.07174	5.5
118.98060	1.8
128.01778	51.3
128.03502	5.6
129.02086	1.4
129.05562	1.5
135.98361	2.0
136.99158	34.3
137.02458	2.3
145.04442	8.0
146.08246	72.1
147.08563	2.6
152.91730	3.0
176.15453	1.3
181.07767	2.4
189.01897	2.5
191.05617	4.4
218.10338	3.4
245.11505	2.3
253.67522	1.6
261.08762	3.7
275.10748	37.6
276.11066	3.4
293.11774	11.5
298.33429	1.4
319.13284	3.0
338.17267	1.6
343.11453	2.1
363.02405	4.6
363.12250	2.1
381.03122	16.8
381.13348	100.0
382.13739	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	381.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53938	1.2
59.01386	5.2
59.96726	1.3
61.98850	2.1
71.01341	1.2
73.37280	1.3
73.78458	1.1
74.99081	23.7
75.96209	1.9
91.02213	40.0
92.02155	1.7
93.00136	12.7
139.38420	1.2
143.05371	1.4
159.08479	100.0
160.08759	6.2
161.06413	12.8
164.97345	1.2
210.05310	1.3
217.00253	2.1
255.03011	2.9
365.10779	1.7
381.09601	3.6
381.25092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01709	1.0
61.98839	2.7
69.19730	0.6
69.59003	3.5
71.01397	2.6
73.02985	0.8
82.60050	0.6
83.01377	1.0
85.02985	1.5
89.02470	1.6
91.64614	0.6
93.03472	1.0
98.19889	0.9
101.02465	2.6
113.02457	1.5
117.03508	0.8
131.63188	0.6
136.07666	0.8
137.53770	0.6
145.02979	1.3
161.04581	1.5
173.04593	0.8
179.67432	0.6
191.05661	0.8
261.13797	0.7
279.14529	6.1
321.15771	1.9
358.85843	0.6
363.27094	0.7
377.78833	0.7
381.11972	1.1
381.18106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03461	2.6
58.00600	1.6
59.01387	40.4
66.38403	0.5
67.32938	0.5
69.03474	0.9
70.88155	1.3
71.01391	24.9
71.05013	1.5
72.99322	6.3
73.02956	4.6
79.56118	0.5
80.02705	0.8
81.03474	0.6
83.01398	3.5
84.02175	3.1
85.02966	8.7
86.00111	1.0
87.00893	4.4
88.92317	0.5
89.01931	1.0
89.02451	10.8
93.03419	0.6
95.01392	1.9
95.95258	0.7
96.96015	1.4
99.00891	1.8
99.04563	0.7
99.08165	2.3
101.02460	13.0
105.03497	1.2
111.08173	2.5
113.02464	8.0
116.57875	0.5
119.03506	2.9
125.02457	0.6
125.09705	0.6
127.07609	0.9
127.11295	1.5
129.09235	9.2
133.02985	2.4
135.04482	0.7
137.02405	0.5
137.09734	7.9
139.11299	6.7
143.10741	0.6
155.10797	13.2
156.11150	0.7
159.02975	1.7
161.04572	6.6
165.09203	0.6
176.01071	0.6
177.01947	24.1
178.02333	1.5
183.10260	5.6
189.06956	0.6
191.05585	1.0
201.11345	44.9
202.11642	2.4
219.12410	0.9
279.14539	0.7
285.08643	0.6
291.14508	2.6
363.16644	20.5
364.16821	2.0
381.17679	100.0
382.18036	11.5
388.47739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33405	0.5
54.83096	0.5
55.01881	1.4
57.03440	2.0
58.00590	1.8
59.01387	34.8
60.01754	0.5
70.92097	0.6
71.01391	22.5
71.05013	0.9
71.61715	0.5
72.99311	6.8
73.02946	5.1
79.08142	0.6
80.02678	0.7
83.01397	3.5
84.02174	1.9
85.02963	8.8
86.00108	1.5
87.00881	5.2
89.02465	9.7
90.49152	0.6
95.01379	2.3
96.96033	1.3
97.06583	0.7
98.19954	1.6
99.00879	2.2
99.08154	1.6
101.02456	14.3
105.03479	0.7
110.54961	0.5
111.08155	2.1
113.02465	7.3
119.03510	3.4
125.02476	0.6
127.07619	0.9
127.11263	2.1
129.09233	8.4
133.02972	2.3
137.09729	8.6
138.10059	0.6
139.11310	6.4
143.03593	0.7
143.10815	1.1
155.09593	1.0
155.10797	14.6
156.11111	0.6
159.03018	1.4
161.04544	6.0
176.01109	0.6
177.01945	22.5
178.02231	0.7
183.10283	5.8
191.05588	0.8
201.11334	42.7
202.11674	2.6
211.89565	0.6
287.09375	0.8
291.14542	1.7
363.12094	1.2
363.16617	19.6
364.17111	1.8
381.17676	100.0
382.13629	1.0
382.18069	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11454	0.6
56.37156	0.5
59.01386	100.0
60.01709	1.2
60.10537	0.7
61.98846	0.6
66.52965	0.6
69.17668	3.4
69.18095	2.6
71.01399	2.0
78.88235	0.6
85.02956	1.4
85.06627	0.6
88.23435	0.6
89.02458	1.3
93.03473	1.8
95.42477	0.6
96.96025	2.8
98.95602	1.8
99.00934	0.8
101.02475	1.8
113.02480	1.3
113.29287	0.6
133.01541	0.7
133.02979	1.1
135.04547	1.3
137.02486	0.9
160.04010	0.7
161.02524	1.3
161.04573	1.0
163.04028	8.2
173.04613	2.4
177.01906	3.6
189.02066	1.7
191.05615	6.2
192.21950	0.7
194.05841	1.0
207.03047	2.5
279.14490	1.0
321.15704	0.9
381.08362	2.8
381.18625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91530	0.5
57.03432	0.5
58.79595	0.5
59.01385	100.0
60.01714	2.1
61.01817	0.8
70.82152	1.0
71.01391	2.4
73.02959	0.9
75.29929	0.5
85.02979	1.9
87.00898	1.0
89.02454	1.0
93.03500	1.5
96.96045	2.4
98.95621	2.4
101.02458	1.7
112.98699	0.5
113.02467	1.2
119.05109	0.6
125.02457	0.6
131.05348	0.8
133.02971	0.8
135.04593	1.4
136.07661	0.6
145.02988	0.8
158.06131	1.2
161.02490	2.1
161.04620	1.1
163.04007	9.8
173.04585	2.8
177.02005	2.5
179.03560	1.1
189.01912	2.5
191.05611	11.5
191.07175	0.9
192.06023	0.7
194.05943	0.7
207.02956	2.5
209.02902	0.6
209.08226	1.3
217.00337	1.4
249.06329	0.6
250.57610	0.5
279.14395	1.0
287.16656	1.5
303.28116	0.6
321.06290	0.6
340.33090	0.5
343.11462	0.6
363.06747	0.6
381.08072	2.2
381.12607	0.9
381.19128	5.0
382.11838	0.9
382.19418	0.8
398.88272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1823
Annotation	CHEBI:67512
Peak:m/z	Relative Intensity
52.01740	0.8
57.75510	0.8
58.95472	0.8
68.01419	1.5
69.27454	0.9
71.00987	1.9
72.04543	2.8
91.05537	2.3
92.05074	74.4
93.05413	2.4
114.09263	43.2
115.09589	1.0
116.05128	1.7
132.08284	1.1
136.04063	100.0
137.04353	3.0
144.04536	2.8
147.04503	1.1
159.01730	0.8
161.07231	11.7
161.48711	0.8
194.09795	0.9
216.13965	1.4
218.15547	4.8
222.09270	57.6
223.09592	5.5
253.13495	4.6
254.13741	0.9
270.86020	0.8
284.72595	0.8
297.12613	0.8
381.18243	96.2
382.18494	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	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09912	0.8
56.27971	0.8
59.01381	6.0
61.98812	1.0
71.53500	1.1
72.42358	1.0
78.95923	8.6
149.06122	1.1
151.07646	1.7
152.99609	13.9
170.05888	4.7
174.99332	1.3
190.34270	0.8
192.11565	0.9
199.13432	1.9
217.00313	4.6
233.19199	1.2
235.20610	1.8
251.20195	2.5
255.02992	3.2
277.18115	82.1
278.18457	8.2
279.19672	25.1
280.20032	2.1
295.19171	100.0
296.19452	10.5
363.25427	15.6
364.25754	2.8
381.09860	3.3
381.20700	1.3
381.26431	6.8
382.26981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03446	0.7
59.01388	33.1
60.01722	2.6
61.98838	1.8
71.01389	11.1
71.53738	1.1
72.99318	1.6
73.02956	1.5
75.00883	20.3
83.01411	1.6
85.02969	4.3
87.00890	16.1
87.01389	1.1
89.02440	4.6
93.03487	1.0
95.01395	0.7
96.96040	1.2
99.00934	1.1
101.02467	5.1
113.02464	3.6
115.05541	7.2
116.05070	3.0
117.02041	0.5
118.04149	0.5
119.03545	1.8
119.05038	20.8
121.02979	0.8
124.01672	2.0
129.01978	0.8
130.06636	8.1
132.04573	27.4
133.04912	1.4
135.49504	0.7
138.31203	0.6
139.04004	1.1
144.04553	1.6
145.02969	0.7
146.06119	0.6
154.06247	0.8
157.05367	1.4
158.06133	100.0
159.06522	6.0
161.02443	4.5
161.04649	1.2
163.04028	15.1
165.00160	1.0
173.04587	0.6
174.05617	3.0
176.07190	1.7
185.02217	14.3
191.05655	3.1
192.05969	0.7
194.66768	0.6
202.05130	43.9
203.05426	2.7
205.16615	0.6
220.06113	6.9
220.99965	1.0
237.06178	6.6
244.66759	0.6
249.06171	12.1
250.06546	0.9
262.07291	1.8
296.11508	0.9
347.07434	1.1
364.10175	1.0
367.82062	0.6
369.13104	0.6
382.11472	54.3
383.04755	3.3
383.11755	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	382.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52352	0.9
59.01387	100.0
60.01712	1.9
68.55461	0.9
69.73255	1.4
69.73667	3.3
74.07821	0.8
76.87793	0.8
86.72361	1.0
98.19933	0.8
101.02467	0.9
163.04021	1.7
218.47585	0.9
290.14310	0.9
322.27679	1.4
373.97153	1.0
382.09949	0.9
409.25818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
70.88583	0.9
70.88899	1.3
79.95741	2.6
80.09740	0.7
81.95152	0.8
89.02457	1.0
94.19643	0.9
96.96024	100.0
119.05055	1.8
163.04034	1.9
210.06876	5.2
211.07660	31.5
212.07982	3.4
233.67917	0.9
340.99841	1.6
355.98627	2.5
383.00800	3.6
383.11493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79930	0.5
60.46717	0.4
67.85332	0.5
69.03468	1.8
69.59086	2.8
75.98952	0.5
87.23554	0.5
93.03474	1.0
93.24169	0.4
94.93873	0.4
102.37138	0.5
113.02549	0.5
117.03476	12.3
119.05040	79.8
120.05373	4.1
121.02957	2.8
123.04523	0.5
129.25110	0.5
130.09848	0.4
145.02965	43.9
145.06596	1.4
146.03322	2.8
151.91458	0.4
157.06631	0.5
163.04024	100.0
164.04370	4.7
165.49876	0.4
171.76859	0.4
175.07626	0.6
193.98741	0.4
196.25119	0.5
219.06647	10.4
237.07668	4.9
244.66135	0.4
383.11368	73.3
384.11765	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	383.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.8
77.18216	0.6
93.03459	2.0
117.03484	20.7
118.03783	0.8
119.05040	97.0
120.05341	4.3
121.02967	3.1
132.54584	0.7
135.04471	0.9
141.68840	0.7
143.05069	0.9
145.02968	53.7
145.06657	1.1
146.03365	2.3
160.65671	0.6
163.04028	100.0
164.04370	5.6
219.06636	10.9
220.07001	0.9
237.07626	4.8
247.08356	0.7
263.05615	0.7
383.11383	65.6
384.11725	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	383.1385
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
52.55831	0.6
57.03434	0.6
58.00600	1.4
59.01385	53.0
59.21906	0.7
68.37614	0.6
69.21754	0.6
69.82444	3.2
71.01389	27.4
72.99320	1.3
73.02961	1.7
74.99140	0.8
83.01394	1.9
85.02948	5.6
87.00878	6.1
89.02453	37.3
90.02788	0.7
94.13340	0.6
95.01401	2.1
101.01807	1.2
101.02452	19.8
102.02786	0.7
102.98611	0.8
113.02465	12.2
115.05856	0.8
119.03509	15.3
119.04903	0.7
131.03508	1.3
133.06943	1.0
143.03511	1.8
145.78371	0.7
149.04639	1.0
161.04617	1.9
179.05644	2.2
191.05716	0.5
203.07613	0.8
219.46097	0.6
251.47713	0.7
261.13470	0.9
295.12271	8.2
296.12680	0.7
299.40414	0.7
383.13834	100.0
384.14154	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	383.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75756	0.7
54.55066	0.7
55.88643	0.7
58.99606	2.0
59.01386	6.1
61.98820	0.9
65.93274	0.7
70.83575	1.0
70.83919	1.4
71.01387	14.3
73.02957	4.9
83.01398	2.1
85.02950	4.6
87.00881	37.5
87.02744	3.1
87.03189	0.7
89.02462	2.6
93.03449	1.0
95.01394	1.4
99.00864	1.7
101.02451	7.9
107.55617	0.6
113.02441	5.6
118.96397	0.7
119.03522	0.8
127.50263	0.7
131.05380	2.3
133.06943	100.0
134.07288	4.2
143.03551	0.9
159.03026	0.7
161.04556	8.0
162.05640	0.9
203.07520	4.8
221.08481	1.1
228.66293	0.6
249.06166	30.8
250.06477	2.1
367.02966	0.7
383.13828	42.4
384.14026	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	383.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12076	0.9
57.67869	0.7
59.01385	76.5
61.98849	1.8
63.96229	1.9
67.01893	1.3
71.01392	6.7
71.53823	0.8
71.54184	1.0
72.99324	1.6
73.02941	2.2
81.03458	1.4
83.01386	1.1
83.05022	2.9
85.02963	3.3
87.00889	2.0
89.02442	1.9
93.03462	9.1
96.95988	1.7
101.02435	2.2
103.02480	0.8
111.04520	4.4
113.02448	1.9
117.97314	1.1
119.05033	1.5
123.00867	1.0
129.01952	1.1
133.02986	1.3
135.04506	1.6
135.98392	6.6
137.02444	2.3
143.03496	0.9
155.03543	5.9
161.02438	1.8
164.04747	1.0
165.12912	1.1
173.04558	24.3
176.04059	2.0
179.03532	1.2
186.09393	1.0
187.04048	1.0
191.05641	8.7
209.11836	100.0
210.12189	6.4
257.54095	0.8
274.75589	1.0
341.10660	1.2
383.07666	1.5
383.11786	3.2
383.17041	3.9
383.21219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48753	0.8
57.03432	3.4
57.11317	0.8
58.00578	1.4
59.01387	22.1
61.32487	0.9
63.27449	0.8
67.01894	2.5
68.99800	3.1
69.03462	3.0
69.89786	4.1
71.01018	1.6
71.01389	24.5
72.99322	5.2
73.02939	2.4
75.00877	12.4
81.25238	0.9
83.01397	2.7
85.02958	22.6
87.00892	9.4
89.02453	5.5
91.04014	2.0
91.05547	14.3
92.05877	1.4
93.03464	3.0
95.01392	5.7
97.02959	1.1
98.20648	1.2
99.00893	8.1
101.02446	2.2
103.00368	1.7
107.67967	0.9
111.00858	3.3
113.02459	27.3
115.00382	2.3
116.42632	0.9
117.01920	2.7
117.03482	3.2
121.02967	100.0
122.03314	4.3
125.99567	1.1
129.01942	2.7
135.04533	7.5
136.99182	1.4
143.03426	0.9
153.09247	1.0
157.01363	1.4
166.02748	1.2
174.62198	0.8
175.02534	1.6
181.04971	1.3
185.22691	0.9
191.05528	1.9
207.05081	1.3
231.05074	3.1
249.06155	23.0
250.06474	1.6
263.07736	26.1
264.08264	1.5
267.07242	69.6
268.07523	3.4
325.12888	1.3
385.11407	37.7
386.11783	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	385.1144
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01385	0.9
70.83794	1.3
71.01389	1.3
84.82126	0.4
85.02935	0.6
87.00901	0.9
93.03471	2.1
98.19939	0.7
113.02461	0.8
121.02972	7.3
135.04527	2.9
135.06558	0.7
137.02412	1.0
149.02455	46.4
150.02788	2.0
151.03984	0.7
152.01149	6.7
163.04027	6.3
164.04811	32.8
165.01912	2.2
165.05138	2.1
167.03497	1.3
169.04999	2.5
179.07146	11.6
179.08620	0.9
180.04370	0.6
180.07567	1.1
191.05783	0.6
191.98415	0.5
193.01434	19.3
194.01758	0.9
208.03795	39.9
209.04111	2.8
220.48541	0.5
223.06134	100.0
224.06467	6.5
233.04642	0.6
267.07291	1.3
385.11490	1.5
390.08017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.3
59.01387	100.0
69.03460	1.4
69.62144	3.2
69.62556	3.4
71.01382	5.0
73.02959	2.6
85.02988	2.3
87.00887	1.1
88.75702	0.9
93.03448	3.3
95.05036	1.0
96.16982	1.0
98.19952	2.1
101.02484	2.4
105.51801	1.2
109.02962	1.6
112.01679	3.4
113.02426	2.5
132.84941	1.3
133.02960	3.0
135.04520	1.9
151.04031	3.5
153.02016	2.0
161.02477	14.1
161.04536	1.4
164.03549	3.2
165.09225	2.0
173.04611	5.3
176.04846	5.4
179.03468	7.3
187.07631	1.2
191.05785	7.5
191.06924	6.6
261.14972	3.4
367.14029	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
50.39088	0.7
54.39049	0.6
55.01871	2.5
57.03459	5.5
58.00597	3.5
59.01385	68.4
60.01723	1.6
69.03461	1.2
69.37686	2.1
69.38118	2.3
71.01389	80.2
72.01714	1.6
72.99311	4.0
73.02953	12.3
75.00887	0.9
81.80318	0.6
83.01405	6.2
83.05035	1.6
85.02956	26.7
86.03260	1.2
87.00886	6.1
89.02458	36.6
90.02774	1.4
93.03468	1.6
95.01392	5.3
95.05035	1.8
96.96017	0.8
97.02966	6.2
97.06591	0.6
99.00901	5.3
99.04568	0.8
101.02450	38.8
102.02758	0.6
105.07098	1.5
108.05817	2.6
109.02975	0.9
109.06596	2.0
111.00881	1.4
111.04521	1.7
112.01629	0.7
113.02462	28.6
113.06100	2.7
114.02789	1.3
116.00212	0.6
119.03514	10.7
121.02966	30.3
121.06577	1.0
122.03824	1.0
123.08169	4.2
125.06109	2.4
128.03555	0.9
129.02008	0.9
131.03499	1.5
133.06924	1.7
134.07217	0.7
135.06511	2.6
135.08176	1.0
135.46126	0.5
136.05319	2.9
137.06111	1.7
138.06882	23.2
139.00359	0.9
139.04001	0.6
139.07686	10.3
140.08098	0.5
142.69203	0.6
143.03511	2.7
147.08223	1.0
149.04570	0.6
149.06082	1.5
151.07655	23.0
152.04805	2.4
152.08447	42.8
153.09230	100.0
154.09563	5.7
159.02959	3.5
161.04565	17.2
161.05911	1.1
163.11298	5.3
165.05498	0.9
165.09244	2.9
167.07161	1.8
179.05663	1.5
180.08011	0.8
183.10284	0.6
187.11218	1.5
189.09285	1.2
190.09998	2.2
191.05667	2.7
205.03633	0.8
205.12346	31.2
206.12744	2.9
223.13400	14.9
224.13792	1.6
263.07715	1.7
268.86816	0.6
285.04105	1.4
333.69760	0.6
385.11679	4.7
385.13803	4.8
385.18808	3.6
386.19287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02722	0.3
57.03448	1.0
59.01383	4.4
60.99310	0.5
65.00342	0.4
67.01897	4.7
69.03462	1.1
71.01386	3.8
71.57749	0.3
73.02957	0.4
76.75713	0.4
81.03471	0.7
83.05032	1.5
85.02950	0.9
87.00897	0.5
91.01884	0.3
93.03467	27.2
93.67675	0.3
94.03797	1.1
96.54494	0.3
96.96030	1.0
98.20782	0.7
99.04534	0.4
101.02435	0.4
108.02174	0.5
109.02962	1.1
111.00891	1.3
111.04528	4.9
113.02463	0.8
119.05054	0.4
123.04520	1.7
127.04052	0.6
131.04961	0.3
133.02995	0.5
135.04530	0.9
137.02467	4.8
143.05029	2.1
146.03702	0.5
155.03532	5.9
158.03723	0.6
159.04520	1.0
161.02414	0.6
170.46509	0.3
173.04562	100.0
174.04901	4.6
176.04063	0.5
191.05577	2.1
197.33043	0.3
200.42845	0.3
206.04173	0.4
211.13414	10.8
211.15457	0.6
212.13771	0.9
216.94342	0.3
223.07736	0.7
235.07611	0.4
243.88277	0.3
249.05638	0.4
250.06367	1.7
251.07089	3.2
252.07838	1.8
256.55322	0.5
266.09686	0.5
267.10336	1.5
278.05746	0.4
293.08273	0.9
311.09210	0.5
370.10648	1.2
385.13004	5.4
385.18680	6.8
386.13190	1.1
386.18478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
51.29372	1.0
53.64808	1.2
55.01880	5.6
57.03461	6.2
59.01113	1.5
59.01385	21.2
65.30430	1.1
69.20968	4.9
69.21395	5.6
69.51681	1.1
71.01390	100.0
72.01701	1.2
72.99307	3.3
73.02559	2.0
73.02957	31.2
75.00880	2.4
83.01389	11.6
85.02959	40.0
86.03260	1.7
87.00887	3.5
89.02463	9.0
93.03479	1.4
95.01415	7.2
96.95947	1.6
97.02985	1.8
99.00888	14.2
100.37008	1.2
101.02451	56.7
113.02467	41.1
114.02855	1.2
119.03474	2.7
119.44280	1.2
125.02460	2.5
133.02950	2.1
135.04512	2.2
137.43558	1.2
143.03528	5.5
152.06796	1.2
159.03012	10.3
159.67462	1.1
161.02478	2.8
161.04572	40.6
161.05901	2.4
179.03468	1.5
179.14423	15.1
180.14685	1.9
191.05556	1.9
196.16112	1.2
223.13318	3.5
336.96292	1.4
385.18704	18.6
408.38739	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	385.2236
Annotation	Oleandolide
Peak:m/z	Relative Intensity
53.18193	0.5
58.82924	0.5
59.01388	6.5
62.82864	0.5
70.55038	1.9
71.01392	0.9
75.66802	0.6
89.02457	1.4
91.04025	2.4
96.05556	0.5
96.96017	0.8
97.06594	0.8
98.19862	0.5
99.08265	0.6
121.02983	1.4
122.03761	1.2
125.02458	1.1
135.04543	0.7
136.05289	0.8
139.85503	0.5
152.70235	0.5
161.02275	0.5
164.08484	0.8
167.14378	3.3
191.05757	0.6
193.15987	1.3
207.17572	1.7
215.18694	0.6
223.20711	1.7
231.17615	0.9
233.15558	0.8
248.09239	0.6
249.18610	8.3
250.18996	0.7
267.19681	100.0
268.20007	12.1
275.16541	13.6
276.16882	1.0
293.17627	70.2
294.17969	7.7
311.18674	12.1
312.18997	1.5
367.21243	7.3
368.21271	0.9
382.65952	0.5
385.22333	58.1
386.22675	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	386.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21421	0.7
58.02971	1.3
59.01381	0.9
70.32696	2.3
70.33050	0.7
71.01387	1.4
72.00918	1.5
73.51601	0.6
74.02482	3.6
82.02991	14.7
84.04559	11.7
85.02961	1.1
86.02500	1.7
89.02459	1.6
95.01355	0.7
98.02482	0.9
101.02460	0.8
101.07221	2.1
109.04094	1.2
109.07726	4.0
110.02475	1.4
112.04054	0.8
113.02443	0.9
124.72507	0.7
126.09260	3.6
127.05154	10.1
128.03557	100.0
128.18956	0.7
129.03906	3.8
138.09319	0.9
151.08788	1.6
153.06717	1.0
169.09874	0.8
169.13457	5.5
191.05582	0.8
195.07733	4.3
195.11420	13.2
196.11778	1.3
213.12465	61.7
214.12831	4.4
239.06761	1.8
239.10385	1.1
257.11484	2.6
280.16644	1.6
298.17944	0.8
306.14645	7.7
307.14917	0.7
318.09726	0.7
324.15656	18.0
325.15976	2.1
341.10965	1.6
342.16812	5.5
353.87881	0.7
370.64053	0.7
382.19852	0.7
386.15738	5.3
403.10785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	1.4
59.01397	1.4
61.98857	0.7
66.03622	0.8
70.21878	1.7
70.22243	1.6
71.01397	0.8
72.00900	1.5
74.02489	3.3
82.02996	15.2
84.04559	14.4
84.62434	0.7
85.02917	0.8
86.02476	1.7
98.02505	0.7
101.07208	3.0
107.02530	0.8
109.04095	2.4
109.07718	3.3
110.02464	0.9
122.02503	3.1
123.05685	1.4
126.09274	3.3
127.05156	11.4
128.03557	100.0
129.03893	3.4
138.09328	0.9
139.08786	0.8
151.08755	1.4
152.10780	0.8
167.11835	1.0
169.13484	5.1
191.11923	0.9
195.07762	5.9
195.11401	13.8
196.11682	0.9
213.12462	62.1
213.96150	0.7
213.97977	0.9
214.12827	4.1
221.05368	0.8
222.04272	0.8
239.06815	1.7
239.10298	1.1
257.11517	1.7
262.15619	1.0
263.07748	1.4
280.16666	2.6
306.14621	8.1
324.15674	17.1
325.15726	1.2
342.16791	4.6
386.15665	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	387.1089
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
55.01889	2.0
57.03455	2.7
58.00603	1.3
59.01385	29.3
59.40242	0.5
60.47874	0.4
61.98829	1.0
66.51299	0.5
70.54442	0.7
70.54772	1.0
71.01389	37.6
72.01739	0.8
72.99326	1.9
73.02954	10.0
75.00922	0.7
83.01397	4.7
85.02953	15.3
87.00887	4.2
89.02453	19.6
89.03988	2.5
90.02782	0.8
91.01933	0.6
93.03468	1.4
95.01395	2.8
96.96033	1.6
97.02998	1.0
99.00900	3.4
101.02453	23.9
108.02230	0.5
109.02965	3.4
111.00881	0.9
113.02464	15.7
114.02808	0.8
117.03482	9.1
118.03874	0.5
119.03522	9.3
119.04927	0.5
120.99748	0.5
121.02980	4.3
123.00914	1.4
125.02480	0.9
129.01968	0.7
131.03452	0.6
134.03754	100.0
135.04025	3.9
136.01715	1.0
137.00699	4.2
137.02431	2.4
138.03246	1.3
143.03517	2.1
145.02971	0.5
146.03783	0.7
147.04536	6.8
148.05350	3.1
149.04837	0.9
149.06084	9.9
150.03212	1.1
151.04010	1.1
153.05559	1.1
158.49304	0.5
159.02986	3.0
159.04480	1.6
161.02473	1.2
161.04564	11.6
161.06064	2.0
162.04906	0.6
162.06796	0.8
163.11322	0.8
173.04529	0.7
175.07593	0.6
177.05562	0.6
178.02715	6.7
179.03479	4.7
179.05656	1.6
179.60190	0.6
183.10306	0.6
189.12906	0.9
191.05603	1.7
193.05067	58.6
194.05388	4.3
205.03545	0.5
207.13930	2.0
213.05533	1.1
223.13361	2.7
225.14914	1.9
238.06143	0.7
241.04965	0.8
241.14485	1.2
252.07895	0.7
253.08789	1.4
254.05914	0.7
267.06540	0.7
268.07391	1.6
269.08252	2.3
283.09671	3.5
284.10486	3.1
295.06161	0.8
299.12729	1.2
343.11880	22.3
344.12149	2.4
357.09738	1.4
371.31375	0.6
372.12204	2.0
387.10846	37.1
387.14722	1.4
387.19934	5.5
388.11243	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	387.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60373	0.8
55.01883	0.9
57.03452	1.3
57.17604	0.7
59.01385	36.3
63.90303	0.6
71.01394	14.1
71.08424	1.0
71.08763	1.3
73.02950	6.9
83.01393	2.8
85.02966	3.9
86.38707	0.7
87.00906	6.0
89.02448	6.8
93.03455	3.2
95.01366	1.2
96.96066	1.0
101.02448	8.4
102.77655	0.7
108.03900	0.7
108.04559	2.9
111.00864	1.0
113.02464	5.7
119.03521	2.1
120.99666	1.4
121.02972	32.5
121.10249	1.8
122.03288	1.8
122.06129	4.4
123.00865	0.7
132.04585	2.1
133.02959	3.4
135.04529	1.9
136.04031	1.0
137.02516	0.7
137.04332	6.7
139.00359	1.4
146.06142	1.3
147.03253	1.1
147.04478	1.0
150.05658	0.8
158.02382	1.1
159.03041	1.3
160.04057	17.2
161.02446	7.6
161.04510	6.0
162.05675	1.2
173.04591	5.4
175.02798	1.2
186.01991	2.0
188.03511	10.3
189.04071	1.2
190.05098	1.9
191.03526	2.1
191.05635	2.4
202.05154	1.3
204.03055	3.8
207.13933	1.4
211.12340	1.6
212.07323	1.4
218.04579	12.5
220.03784	1.3
224.09340	1.7
226.03677	0.8
227.08154	0.8
235.02518	1.1
235.06119	2.8
239.11906	3.6
240.05447	1.6
240.10385	1.7
241.06187	1.0
243.11328	1.6
246.19601	0.7
249.06238	3.3
250.04890	2.5
251.08342	1.2
252.06767	0.9
252.09106	3.8
253.06277	2.6
254.06943	1.9
255.07774	3.3
255.11459	1.1
265.07224	5.7
266.08136	0.8
267.07825	2.7
267.11386	16.0
268.09637	3.2
269.09366	5.0
279.07465	0.8
280.05087	0.8
281.05716	11.0
282.06097	2.5
283.07516	1.4
283.10941	4.2
293.09448	1.4
295.07263	6.6
296.08051	4.8
309.08826	2.5
310.08847	1.2
311.10397	100.0
312.10715	10.6
315.09903	1.1
325.10803	2.3
337.08292	10.7
338.08490	1.5
343.12933	2.6
345.15671	1.1
355.09381	32.2
356.09616	5.2
369.09698	3.9
387.11636	19.8
387.16476	1.6
387.23975	3.2
388.12109	3.1
388.16843	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	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
57.03452	1.3
59.01387	100.0
60.01720	2.4
61.98837	1.5
68.21761	1.1
69.81844	2.6
69.82268	4.4
71.01015	2.1
71.01391	31.8
72.99303	3.3
83.01409	1.6
85.02958	7.6
87.00896	2.1
87.96203	1.2
89.02457	39.8
95.01393	3.5
95.04996	1.8
101.02458	21.4
113.02461	10.7
119.03509	13.4
121.02985	2.1
130.08728	1.1
131.03513	1.9
131.75986	1.3
134.47241	1.3
149.02457	3.6
163.11287	29.4
163.12579	2.1
177.01950	32.0
179.05730	1.5
192.02551	2.3
192.04297	48.3
193.04764	4.5
207.06639	96.8
208.07004	7.2
239.05681	1.5
290.22995	1.3
387.16669	87.2
388.17010	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	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39058	0.8
53.38306	0.9
54.08522	0.9
58.00596	1.5
59.01385	97.7
61.98838	1.5
69.19179	5.9
69.19601	2.9
70.67535	0.8
71.01392	26.2
72.99300	2.2
83.01380	1.3
84.20098	0.8
85.02966	5.2
87.00890	1.2
89.02456	28.9
95.01402	1.1
101.02451	17.2
113.02464	8.4
113.87669	0.9
119.03512	12.0
128.64554	0.9
131.03511	1.0
149.02463	2.1
161.04588	1.2
163.11307	38.3
164.11632	2.3
177.01942	17.5
178.02509	1.4
192.04297	26.8
193.04622	2.2
207.06641	54.3
208.06981	4.1
225.07822	1.1
258.89423	1.0
269.87686	1.0
284.63486	0.9
387.16638	100.0
388.16934	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	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.18031	0.6
58.00580	1.1
59.01387	78.2
60.01721	1.1
62.95495	0.7
69.45747	5.3
71.01012	1.5
71.01387	19.3
72.99306	1.1
73.02947	0.8
73.27175	0.8
76.56252	0.7
83.01377	1.6
85.02953	4.7
89.02450	15.0
93.56768	0.7
95.01385	1.6
101.02451	10.6
103.28419	0.7
113.02455	5.9
119.03524	6.0
125.14130	0.8
131.03528	0.9
163.11346	4.5
164.07437	0.6
179.05562	1.3
207.10255	17.0
208.10553	0.8
387.16638	100.0
388.16959	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	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72393	0.4
55.01885	1.4
55.46004	0.4
57.03453	1.9
58.00600	3.0
59.01385	100.0
60.01722	1.4
69.52444	2.6
71.01389	54.7
72.01730	0.9
72.99320	3.2
73.02956	5.4
73.80168	0.4
75.00885	0.6
81.03461	0.4
83.01400	3.6
84.02158	0.6
85.02958	14.8
86.03303	0.5
87.00882	2.8
88.39642	0.3
89.02454	53.7
90.02776	0.6
95.01402	3.9
97.02971	0.4
99.00907	2.5
101.02451	32.6
102.02807	0.9
113.02463	22.1
114.02786	0.9
119.03516	21.5
120.03851	0.6
125.02468	0.6
129.01920	0.4
131.03502	2.1
133.09198	0.4
137.09750	0.5
143.03548	3.2
149.04581	1.4
153.05614	0.6
159.02988	1.7
161.04565	11.7
162.06792	0.5
163.11304	7.1
164.11609	0.8
173.09750	2.8
179.05589	4.0
179.06783	0.4
189.12869	19.8
190.13248	1.6
191.05605	0.5
205.03603	0.6
207.10262	2.8
207.13936	6.4
208.14345	0.5
225.11317	0.6
225.14980	0.6
282.66037	0.4
387.16559	38.1
388.16879	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	387.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
57.03435	2.8
57.16867	0.8
58.00584	0.9
59.01387	100.0
60.01715	2.4
61.67499	0.9
64.03168	0.9
64.83092	0.8
65.10093	0.8
69.03455	1.6
69.77585	4.1
71.01389	43.2
72.01712	0.9
72.99313	2.0
73.02955	35.1
83.01396	10.0
83.05020	1.0
85.02963	15.4
87.00869	2.0
89.02453	12.5
93.03458	2.5
95.01379	2.9
96.99318	1.4
99.00891	3.7
101.02457	34.0
109.02924	1.8
113.02465	18.4
119.03512	3.9
121.10241	12.1
123.04591	1.3
125.02439	1.4
129.60497	1.0
131.03546	1.2
133.02893	1.7
134.03758	13.6
135.04584	4.9
143.03526	2.9
146.03716	3.3
147.04546	1.6
149.04504	0.9
149.06113	2.4
158.03720	1.5
159.02998	1.6
159.04480	2.4
161.02437	4.0
161.04562	18.2
163.11247	1.2
165.09187	3.9
167.10680	1.2
173.04529	2.4
173.06001	1.1
177.05533	1.0
179.05562	1.3
181.12354	1.1
188.07883	1.1
189.94603	1.1
191.05545	2.4
193.05055	2.6
203.07214	1.2
207.13914	1.8
224.98416	1.1
225.15004	1.4
254.98119	1.0
261.60645	0.8
266.05948	1.1
267.06546	1.6
281.08246	3.3
283.09579	2.3
295.06274	2.2
301.16559	7.8
305.58871	0.9
310.08490	1.3
325.10800	2.7
327.14343	3.8
341.93951	1.0
343.03589	1.0
343.11978	5.9
345.15479	4.3
387.10828	23.2
387.16516	20.5
387.24219	2.3
388.11182	3.2
388.16818	3.0
407.93359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
55.58590	0.6
57.03454	2.1
58.00614	1.4
59.01387	100.0
60.01717	1.7
63.92188	0.6
68.42570	0.8
69.03451	1.1
71.01392	43.5
72.01724	0.9
72.99335	1.6
73.02956	55.2
74.03287	1.4
77.70953	0.7
80.56216	0.6
81.00861	0.6
81.03472	1.0
83.01396	16.0
83.05070	0.6
85.02956	9.5
85.50478	0.7
87.00911	2.5
89.02454	13.3
93.03483	1.9
95.01425	2.2
97.02954	1.8
98.20819	1.1
99.00892	2.0
101.02457	44.4
102.02827	1.4
111.00860	0.7
113.02461	10.9
119.03519	4.2
121.10249	15.2
122.10600	0.9
125.02480	2.0
131.01349	0.7
131.03520	2.8
133.02989	1.0
135.04520	0.7
136.01677	1.3
137.09763	2.5
138.27440	0.9
143.03537	2.5
149.04642	2.0
151.04054	1.1
155.03572	1.7
161.02487	1.7
161.04587	9.7
162.04832	0.7
165.09227	8.5
173.04547	1.9
179.03574	1.1
179.05533	1.0
181.05086	0.8
181.12297	0.9
183.10281	1.4
187.07674	1.3
191.05626	1.3
207.14024	1.1
225.15018	2.2
229.03502	0.8
301.16507	1.5
327.14536	2.9
345.15469	6.5
346.15869	0.9
387.16678	26.9
387.24203	1.0
388.17340	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	387.2024
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01882	5.8
57.03452	5.1
58.00610	2.3
59.01385	64.9
60.01713	0.8
67.01920	0.5
69.03442	0.8
71.01388	100.0
71.54099	0.7
72.01737	1.7
72.99320	4.3
73.02950	24.5
75.00883	1.7
80.96503	0.4
83.00920	0.9
83.01397	11.9
83.05028	0.8
84.02173	0.9
85.02957	39.3
86.00073	0.4
86.03309	0.8
87.00881	4.6
89.02453	35.4
93.03471	0.9
93.06100	0.4
95.01405	7.3
96.01677	0.5
96.96020	0.6
97.02950	1.7
99.00896	10.4
99.04556	1.1
99.07978	0.5
101.02451	64.8
102.02782	2.2
107.04987	0.5
108.48969	0.4
111.00891	1.0
113.02461	41.1
114.02766	1.6
119.03513	17.5
121.02916	0.9
123.00903	2.5
123.08167	5.6
125.02456	1.7
126.10569	0.5
128.03525	0.8
129.01932	1.9
131.03510	1.4
137.09737	2.6
138.03227	6.5
143.03520	3.8
147.08237	0.5
149.04510	0.9
151.00420	0.8
151.11172	0.5
153.05594	10.1
154.05852	0.4
159.03004	7.6
161.02417	1.6
161.04570	34.3
162.04883	1.5
163.11290	6.9
165.09265	0.7
173.04530	1.0
173.09694	1.3
176.04820	3.5
179.05667	2.4
181.12352	2.2
189.12852	10.8
190.13173	0.7
191.05621	1.3
191.07112	3.2
194.00395	0.9
205.03476	1.5
207.13921	15.2
209.02678	0.8
223.02399	0.5
225.05920	7.8
225.14928	5.7
226.14867	0.5
230.09900	0.5
335.96964	0.5
387.16254	6.1
387.20123	13.4
388.16257	1.1
388.21048	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	387.2028
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
50.59203	1.0
55.01883	5.5
57.03447	8.7
57.19482	1.1
57.46400	1.1
58.00607	1.9
59.01386	86.1
60.01743	1.7
69.03471	1.6
69.28317	8.7
70.59769	1.1
71.01389	100.0
72.01752	1.7
72.99314	3.5
73.02955	22.6
75.00876	1.2
81.07134	1.2
81.46140	1.2
83.01387	8.6
83.05030	6.4
85.02961	34.2
87.00890	3.9
89.02455	57.4
90.02786	1.4
95.01408	7.5
97.02955	2.1
99.00891	10.6
99.04526	1.3
101.02456	54.6
105.07116	1.7
105.16605	1.1
107.05083	2.6
108.52700	1.2
109.02934	1.8
113.02465	43.6
119.03516	19.2
121.06628	3.4
123.08180	49.5
124.08488	4.0
125.02471	2.4
131.03477	2.5
137.09737	16.9
143.03520	3.5
153.09241	3.3
159.03035	6.8
161.04572	25.3
163.11314	41.8
164.11589	2.7
171.11833	4.5
173.09769	4.5
179.05638	5.6
183.08696	1.2
189.12872	63.0
190.13225	5.5
191.05644	1.4
207.13919	90.4
208.14235	7.3
225.14975	15.4
226.15335	1.6
267.15985	1.5
299.09262	3.3
387.20200	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03458	1.2
58.00599	0.7
59.01386	100.0
60.01725	1.1
61.98840	0.6
67.01895	1.1
69.25361	4.5
71.01390	17.9
72.99329	1.2
73.02952	5.0
75.00904	0.6
81.03476	0.4
83.01410	2.2
83.05051	0.5
85.02959	8.6
87.00904	1.5
89.02457	3.7
93.03474	4.8
95.01432	1.5
96.96030	0.5
97.06619	1.3
99.00899	2.0
101.02452	14.0
109.03035	0.5
109.06609	0.9
111.00923	0.9
111.04540	0.8
113.02464	6.4
119.03559	1.1
125.02448	0.9
129.02005	0.8
133.02983	1.3
135.04549	2.4
137.02495	1.9
143.03529	0.8
155.03548	0.9
159.03018	1.1
161.02487	1.9
161.04556	8.5
162.02766	0.8
165.12875	5.5
166.13246	0.5
173.04576	9.7
175.53737	0.7
176.04053	1.4
178.02708	0.6
179.03525	1.3
183.13947	0.7
187.07655	2.4
191.05682	1.5
195.13846	0.5
199.13445	2.6
211.13547	0.8
213.09308	0.7
213.15041	1.7
215.07266	0.7
215.12924	2.5
229.14575	1.2
231.10406	0.6
257.05682	0.8
257.08380	1.4
327.18097	2.6
345.19168	21.7
345.22833	2.2
346.19479	3.2
387.10873	0.7
387.20270	1.2
387.24274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
58.00605	0.3
58.57401	0.5
59.01385	11.1
64.58918	0.4
67.01901	0.6
69.03429	0.4
70.07516	0.4
71.01414	2.0
71.54297	0.6
71.62694	0.4
72.11163	0.3
73.02942	0.8
81.03467	0.5
83.05051	0.9
84.27052	0.4
85.02946	1.2
87.00900	0.9
89.02428	0.5
93.03465	2.9
93.31220	0.4
97.06618	0.4
101.02436	0.8
107.04998	0.5
111.04546	2.1
118.70320	0.4
125.09732	0.4
127.04057	0.7
133.03075	0.4
134.03706	0.4
135.04489	1.2
137.02440	0.8
141.28812	0.4
149.08333	0.4
155.03551	2.8
161.02457	1.3
162.02838	0.5
163.04042	0.5
173.04572	5.5
183.13919	13.4
184.14188	1.1
191.05647	2.5
195.13928	10.8
196.14230	1.3
213.14975	100.0
214.15317	7.8
243.16016	0.6
254.63383	0.4
345.19128	0.5
387.10452	0.6
387.20166	6.9
387.24075	5.7
388.20215	0.9
388.24551	1.0
399.52643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10661	14.6
52.84538	17.7
54.83286	17.2
59.01371	47.6
63.07180	16.9
66.05640	14.9
69.81380	100.0
70.72819	15.0
78.47128	16.4
98.19969	20.2
141.01683	26.8
268.20624	18.6
309.81247	18.0
400.11780	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	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55309	23.1
59.01365	48.1
70.08978	100.0
72.01761	22.4
82.42397	23.4
85.36299	21.1
89.45573	23.7
187.83151	28.1
197.44823	24.4
207.96883	26.9
228.61456	28.9
267.92688	24.8
275.68814	27.6
285.51950	22.9
296.91510	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	387.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52386	0.8
57.03451	7.9
58.00338	0.7
58.00600	9.3
59.01387	5.8
69.03442	1.6
69.56786	2.6
69.57207	2.4
71.01371	3.4
71.05023	1.3
73.02952	10.3
73.05091	0.8
81.03472	1.2
85.02964	1.9
85.06592	0.7
93.03448	2.2
95.05006	1.3
96.96016	1.1
97.06586	7.1
98.20729	1.3
99.04512	1.8
99.08160	2.8
101.02446	1.0
111.08128	1.2
113.02406	1.3
123.08178	1.4
125.09731	1.1
127.07647	1.6
129.09242	2.7
133.02942	1.8
135.04556	2.2
135.08199	0.9
137.02432	1.3
137.09700	1.9
139.07507	0.9
139.11314	15.6
141.12865	26.1
142.13206	1.6
151.11285	5.4
153.12860	2.7
155.03471	0.8
161.02444	4.4
161.04518	0.8
163.04019	1.2
163.11305	6.2
167.10716	0.9
169.11064	1.2
169.12357	14.1
170.12657	0.9
171.13925	4.0
173.04572	3.5
173.11862	1.6
179.03485	1.7
181.12334	14.9
182.12674	1.7
185.97920	0.8
191.05609	2.5
197.11902	1.1
199.13377	7.6
213.11072	0.9
225.11382	1.1
234.05127	0.9
243.12384	100.0
244.12717	8.6
252.79182	0.8
343.12250	0.8
369.23093	1.8
377.14578	0.9
387.23901	75.9
388.24191	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	17.8
61.98835	100.0
62.11134	1.8
69.49352	6.9
69.49781	6.2
71.01384	5.1
73.02988	1.8
74.76881	1.5
85.02965	2.6
89.02435	4.4
96.96002	2.0
99.00889	1.8
101.02470	4.4
108.02128	1.8
115.21126	1.9
119.05059	1.9
120.99660	21.3
121.02956	4.2
128.03564	3.8
149.06068	2.4
153.09196	2.2
155.03506	1.9
167.07077	2.3
173.04539	4.9
184.49442	1.7
191.05605	6.1
215.09251	2.5
235.65593	1.8
267.08746	1.8
389.18280	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.173
Annotation	Glu-Glu-Ile
Peak:m/z	Relative Intensity
58.02975	1.4
59.01385	6.7
61.98845	6.0
69.39648	5.6
71.01391	5.6
72.99295	1.0
82.03005	3.6
84.04543	2.3
85.02940	1.6
88.04060	3.9
89.02460	1.2
96.96024	2.2
98.02512	1.2
101.00676	2.9
109.70209	0.9
112.03981	1.1
112.15495	0.9
115.00380	4.9
120.99665	2.2
121.02996	1.4
127.05151	1.2
128.03554	100.0
129.03909	2.0
129.10359	2.7
130.08751	32.9
132.03043	4.0
144.04892	1.0
150.03271	5.8
150.66470	0.9
153.05568	2.4
165.05591	8.2
168.11440	6.0
173.04564	1.0
186.12497	2.7
191.05653	1.4
192.96040	0.9
195.18475	0.9
197.12987	4.8
201.12506	0.9
210.12494	8.4
223.10910	1.7
227.09448	1.4
228.13536	8.3
229.11922	2.7
230.51399	0.9
239.06725	3.0
241.11931	11.0
247.50835	0.9
259.13025	16.2
262.96066	1.1
272.16269	1.2
273.14462	1.9
300.15659	1.0
344.14734	1.6
352.15152	3.6
370.16162	7.9
388.17285	22.0
389.13528	1.8
389.17667	3.5
393.70306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72811	2.0
59.01377	5.5
61.98836	100.0
69.60744	4.8
69.61153	10.7
75.00873	20.7
75.28860	2.2
75.84892	2.2
78.20078	2.1
93.03468	3.2
105.98248	2.1
118.12171	2.0
148.39532	2.0
161.02390	3.1
201.96286	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	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
57.03458	92.0
58.03786	1.9
59.01388	100.0
69.71797	9.8
71.01389	20.1
72.99336	1.9
73.02956	4.9
79.38486	1.4
83.01405	8.2
83.05033	25.5
83.80147	1.3
85.02962	43.2
86.03308	2.5
87.00893	3.2
88.86102	1.4
89.02464	8.9
93.03468	5.9
99.00892	3.2
99.04531	66.4
100.04890	2.8
101.02451	25.9
108.22263	1.6
111.00892	12.4
113.02446	5.2
119.03508	5.2
123.04534	4.7
125.02454	19.9
129.01984	16.9
130.42644	1.7
134.03764	3.1
135.04224	1.3
139.07658	1.9
147.04480	1.6
149.06078	2.9
151.04077	1.7
161.04607	3.5
171.10223	1.6
173.04492	4.6
175.03978	1.9
190.06389	2.0
191.05630	21.0
192.06047	2.4
193.05052	3.6
195.05582	2.1
205.03539	12.5
209.11784	4.1
223.04588	2.1
227.12837	1.8
245.10367	8.7
257.55814	1.7
287.11325	2.2
329.15991	2.1
345.10327	1.7
389.18164	4.1
389.22174	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
57.03457	7.5
58.00583	2.6
59.01385	100.0
59.37639	0.8
60.01728	1.1
65.18745	1.0
69.03455	3.0
71.01389	54.3
71.05013	1.7
71.54724	1.5
72.01758	1.0
72.99306	2.8
73.02954	46.7
73.28891	1.0
79.95763	1.0
83.01396	16.0
85.02953	14.3
85.06589	1.3
86.03262	1.2
87.00892	5.0
87.04517	1.6
89.02454	11.0
93.03448	3.2
95.01365	3.0
96.96001	0.9
97.02974	1.5
97.06569	2.6
99.00866	3.3
99.04533	1.5
101.02448	40.8
108.02135	0.9
111.04494	0.9
113.02475	14.7
116.58261	1.0
119.03498	3.6
119.05044	2.8
121.02930	3.1
121.03763	0.9
121.10232	2.3
123.08190	1.3
125.02479	2.0
125.09711	2.8
127.07597	1.2
129.09239	1.4
131.03516	1.9
131.25307	0.9
135.04544	4.8
137.02478	1.0
137.09732	1.4
138.01996	4.5
139.11322	1.5
141.09229	1.8
141.12872	1.4
143.03532	1.5
143.10759	2.3
145.02954	3.9
146.39818	0.9
149.04533	1.0
151.11459	1.1
152.88129	0.9
155.97673	0.9
157.12331	2.1
159.10274	2.2
161.02489	1.5
161.04616	5.4
161.05725	1.0
163.04039	3.7
167.10789	17.8
168.11110	1.2
169.12425	1.9
171.13896	1.2
173.04552	3.0
176.04030	3.4
179.03448	3.1
181.12334	1.9
181.93001	1.0
185.11862	9.0
186.12114	1.3
191.05630	12.7
199.13435	2.7
209.11836	1.5
215.12796	1.5
227.12709	0.9
234.07433	1.1
259.11334	0.9
283.09717	3.9
303.18253	6.5
307.05792	1.0
309.14603	0.9
329.16052	16.0
329.22635	1.0
330.16406	2.7
347.17133	36.6
348.17422	3.6
359.24164	1.1
389.18124	97.0
389.25424	70.2
390.18530	14.1
390.25800	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	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74956	1.4
52.79118	1.4
53.69437	1.4
54.27430	1.3
55.01878	2.7
55.29818	1.3
57.03448	6.5
58.00595	3.1
59.01385	100.0
61.98838	3.4
63.27822	1.3
69.03465	2.2
69.51099	4.3
69.51517	5.2
71.01391	58.9
71.05013	1.8
73.02953	58.0
74.31949	1.3
83.01398	16.2
83.05045	2.4
85.02956	14.0
85.06598	1.6
87.00906	3.5
89.02457	13.8
93.03475	4.6
95.01368	3.0
96.96028	2.5
97.02989	2.0
97.06588	1.7
98.77795	1.4
99.00913	2.8
101.02451	46.1
101.06132	2.1
102.02808	2.1
113.02450	16.6
119.03493	5.9
119.05032	1.5
121.10265	2.4
123.08199	2.2
125.02432	2.4
125.09730	2.9
131.03514	2.4
133.02951	1.7
135.04504	2.0
138.05656	1.7
139.04224	1.7
143.03482	3.9
143.04567	2.2
143.10780	2.2
149.04604	3.4
153.55705	1.5
155.10751	2.0
161.02461	4.6
161.04564	9.9
163.04018	1.7
164.85265	1.5
167.10797	24.6
168.11150	1.7
173.04561	4.3
175.00542	1.3
176.03972	1.6
179.03497	1.5
185.11810	2.7
191.05557	3.7
209.11923	3.3
215.13005	1.6
226.06746	2.1
250.87419	1.5
303.18091	2.5
307.23203	1.4
329.16086	19.5
347.17090	28.1
348.17529	3.2
371.24521	2.3
389.13104	3.0
389.18155	57.7
389.25443	41.6
390.18649	10.6
390.25702	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	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.33600	0.6
55.01881	1.2
57.03447	1.3
58.00571	0.7
59.01386	100.0
60.01705	1.7
61.11483	0.6
61.98839	0.8
70.28606	2.6
71.01389	17.4
72.99329	1.5
73.02958	9.9
83.01400	3.5
85.02966	7.1
87.00906	1.7
89.02455	10.2
93.03472	2.5
95.01389	1.4
98.19817	0.9
99.00879	1.1
101.02455	14.4
103.47996	0.7
113.02464	9.2
119.03499	3.4
121.02947	1.3
125.02461	0.8
129.01958	0.8
134.03746	1.7
135.04524	1.1
143.03535	1.0
161.04619	2.7
165.05637	1.4
173.04582	3.2
191.05637	6.5
193.05058	1.4
205.03558	1.1
209.11835	1.3
215.13031	0.8
223.04633	1.2
227.12973	1.2
329.16046	1.3
347.17206	2.5
389.18198	58.3
390.18549	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	389.1824
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01886	1.2
57.03448	4.1
58.00608	1.6
59.01386	100.0
65.06015	0.9
67.01865	1.0
71.01385	34.6
71.54324	1.9
72.99322	2.5
73.02953	4.2
83.01403	2.9
85.02964	13.7
87.00896	4.0
89.02454	33.5
93.03471	5.9
95.01402	1.9
96.96017	2.4
99.00913	1.7
101.02448	21.2
109.06626	1.1
111.00903	1.3
113.02468	12.1
119.03529	13.2
129.01976	2.1
131.03557	1.2
134.03818	1.6
135.04544	1.0
143.03522	2.1
145.08742	1.7
160.97986	1.0
161.04561	6.1
173.04568	10.3
179.05640	2.7
191.05611	17.4
191.07191	1.5
193.05093	1.9
205.03607	1.1
209.11832	17.0
215.12932	2.4
227.12874	2.2
251.05357	1.4
269.08258	1.1
307.13904	1.1
329.16141	5.1
347.17203	1.6
347.98087	1.2
389.13248	1.7
389.18134	15.9
390.18198	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	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22070	9.7
59.01404	24.8
65.61169	9.9
66.64716	9.8
88.28023	10.4
89.22019	9.7
96.24169	9.7
99.12159	10.6
112.17168	10.2
152.99651	20.7
163.51015	10.1
253.21765	100.0
337.96503	11.2
357.66998	10.2
389.77765	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	389.2551
Annotation	bhos#24
Peak:m/z	Relative Intensity
53.23375	0.5
57.03455	12.3
58.00600	2.5
59.01114	0.8
59.01389	12.1
61.81068	0.5
69.03445	0.5
71.01394	7.0
71.05025	1.6
71.53986	0.6
71.54559	0.8
72.02184	0.8
72.99325	0.7
73.02955	11.1
83.01434	0.6
83.05030	4.3
83.33992	0.5
85.02974	2.5
85.06609	4.0
87.00105	0.5
87.00884	0.7
87.04512	2.2
89.02444	2.8
93.03467	1.7
95.05053	0.8
96.95982	0.7
97.06615	4.9
99.04518	0.8
99.08163	1.1
101.02467	3.5
109.06641	0.6
111.08176	1.1
113.02472	1.0
113.09727	0.7
116.25474	0.5
117.03481	1.7
119.03515	1.2
119.05045	3.8
121.02914	0.8
123.08176	2.5
125.09755	5.2
127.11320	0.8
129.09250	2.1
133.02945	0.9
137.02443	0.7
137.09727	1.2
139.11325	3.0
141.12854	2.6
143.10791	5.7
145.02986	3.9
151.11324	1.5
153.12849	0.6
155.10828	2.7
157.12335	2.8
159.10304	2.9
161.02473	3.3
161.04512	1.2
162.02896	0.6
163.04037	4.7
163.11325	1.5
165.12820	0.7
167.10719	0.6
169.12367	5.9
171.10213	0.8
171.13922	1.3
173.04585	3.1
173.11859	1.8
176.04025	1.0
177.01984	0.7
177.03453	0.6
179.03542	0.8
181.12366	4.2
183.13913	3.1
185.11900	1.1
191.05615	1.7
199.13387	5.7
201.14986	0.9
209.11870	1.2
215.12888	0.9
243.12439	0.6
298.08179	0.6
303.18030	0.6
313.11234	0.6
334.57855	0.6
345.26678	1.6
347.17123	0.8
371.24472	0.8
389.25491	100.0
390.25870	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	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32161	5.6
57.00616	5.5
59.01386	100.0
61.43558	5.1
69.70551	25.9
69.70959	11.6
110.44616	6.2
193.40213	5.8
199.13367	6.9
270.03302	6.4
292.15048	7.1
341.92770	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	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15479	2.1
54.38369	2.3
59.01386	100.0
62.24901	2.3
64.60723	2.2
69.66925	6.6
69.67336	8.8
80.96513	5.5
92.84409	2.3
94.98078	2.4
98.20280	8.4
101.39613	3.1
132.92288	2.3
225.09476	2.3
255.23412	4.4
261.77835	2.5
269.67383	2.5
279.62079	2.5
299.04321	3.5
305.89761	2.5
389.19174	5.1
390.19910	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	390.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
58.03788	3.2
59.01385	41.9
65.44322	1.6
69.41537	11.9
71.01393	22.1
73.02962	21.0
76.90270	1.4
79.05531	1.4
81.03476	3.8
83.01424	7.7
85.02975	4.3
89.02442	11.2
95.01421	1.7
97.06628	3.5
99.04528	55.6
100.04869	2.0
101.02448	36.1
113.02444	8.9
113.06119	5.1
119.03432	3.0
123.04543	19.8
125.02464	19.3
128.41539	1.6
141.05580	3.2
153.05557	3.3
161.04555	5.8
165.51695	1.5
352.06036	1.8
353.93857	1.4
358.30862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76714	0.7
57.03456	46.7
58.00603	1.2
58.03785	0.8
59.01385	100.0
60.01709	2.0
71.00065	1.5
71.01390	18.1
72.01740	0.7
72.97545	1.0
73.02955	5.6
75.00890	1.1
81.03476	2.2
83.01416	2.5
85.02955	8.8
89.02460	11.5
93.03469	1.4
95.01425	1.9
97.03040	0.8
99.00891	0.8
99.04529	33.5
101.02452	18.9
102.02798	0.8
113.02465	16.5
119.03493	4.0
123.04556	2.8
125.02466	15.7
131.03503	1.9
134.03812	1.1
141.05632	1.3
143.03514	2.1
149.04578	1.2
154.12437	1.1
161.04585	5.2
173.04652	1.1
179.05652	0.9
182.11847	0.9
187.13474	0.8
190.69193	0.8
191.05673	1.8
193.05133	1.5
210.11409	1.2
212.60229	0.7
216.09093	1.1
228.12434	1.1
301.70508	0.7
315.56723	0.9
331.17615	1.5
349.18842	2.4
390.17877	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.0
61.98837	100.0
70.09215	8.4
70.53567	2.5
71.01408	2.6
72.67633	2.4
76.67826	2.6
77.22929	2.2
78.80281	2.5
85.02948	8.5
86.56628	2.2
96.95976	4.7
108.33627	3.0
111.00888	4.6
129.01901	4.0
161.02501	2.5
201.11432	2.8
219.59174	2.7
293.17499	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63001	3.6
59.01381	8.7
61.98838	100.0
98.20685	8.8
115.83688	4.8
189.16617	4.1
229.04440	4.8
313.67789	4.5
365.22729	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	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	98.9
58.00583	1.6
58.03780	1.8
59.01385	100.0
60.01699	1.1
65.19942	0.8
69.03483	0.8
69.11723	0.7
70.04078	0.8
70.72769	0.7
70.73091	2.1
71.01387	25.5
72.99307	2.3
73.02953	11.0
81.03461	1.3
83.01376	2.9
85.02951	6.3
87.00892	1.3
89.02457	26.6
95.01410	2.1
96.05694	1.0
96.76317	0.9
96.96033	1.2
99.04535	65.6
100.04855	2.5
101.02457	34.4
102.02766	1.1
105.39136	0.8
111.00893	1.0
113.02474	10.3
119.03529	10.8
121.55439	0.9
123.04523	2.1
125.02462	17.8
126.02767	0.9
131.03503	2.3
139.32809	0.8
143.03473	3.5
149.04552	1.8
161.02512	1.0
161.04579	6.5
173.04501	1.9
176.03940	1.0
177.01833	0.9
179.05649	7.0
191.05714	1.3
192.04216	1.6
207.06667	1.7
211.13437	4.3
247.11908	5.0
331.17511	0.9
391.15189	1.3
391.20261	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	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16693	1.0
55.01876	2.2
57.03453	69.5
58.03784	1.2
59.01385	100.0
60.01734	1.3
67.01916	1.0
71.01392	18.1
72.99335	1.1
73.02947	3.8
83.01390	4.0
85.02959	37.8
86.03278	1.5
87.00881	1.4
89.02451	15.5
95.01376	1.4
98.20757	2.1
98.39918	0.9
99.00879	1.8
99.04528	50.0
100.04859	1.0
101.02454	24.7
111.00877	9.2
113.02452	7.0
119.03514	8.1
123.04510	1.4
125.02458	15.2
129.01964	13.1
140.41597	1.0
143.03485	2.4
159.02951	1.1
161.04559	3.3
173.04527	1.6
179.05565	3.5
185.11807	2.4
191.05577	1.7
205.03540	10.6
223.04564	1.4
229.61633	1.2
247.11826	9.2
289.12943	1.5
309.47125	1.2
349.18573	2.8
351.79538	1.0
379.43661	1.0
391.15616	1.7
391.19791	3.1
397.39694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03453	1.9
59.01387	100.0
60.01710	1.4
65.66351	0.4
69.03482	0.8
69.45129	3.3
71.01389	19.1
71.01789	1.1
72.01743	0.6
72.03375	0.5
72.99306	0.5
73.02955	10.4
83.01407	2.6
85.02962	6.4
87.04541	1.5
89.02452	10.1
92.82880	0.5
95.01434	1.4
99.00928	1.4
99.04556	0.7
101.02456	12.5
110.21422	0.5
113.02457	12.4
114.02845	0.6
119.03539	3.3
125.02503	0.9
130.54329	0.5
131.03555	0.8
143.03529	1.2
161.04562	4.3
185.11841	0.5
187.13431	7.1
217.14496	0.7
231.67271	0.5
262.76718	0.5
331.17651	6.9
332.18094	0.8
349.18695	9.7
350.19186	1.7
391.19955	1.3
405.89157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03444	1.3
58.00603	0.7
59.01386	100.0
60.01728	1.4
61.64159	0.5
69.03475	0.8
69.45109	4.0
71.01390	25.7
72.99336	1.1
73.02958	13.5
75.92454	0.5
83.01404	4.9
85.02954	8.0
87.00881	2.9
87.04514	0.8
89.02452	15.4
93.03467	4.6
95.01427	1.4
97.02957	0.7
98.19860	0.6
99.00892	1.7
100.69901	0.5
101.02455	22.1
109.02986	0.8
111.00921	0.7
111.08162	0.8
113.02458	10.3
113.03185	0.9
119.03518	7.5
125.02464	0.8
126.87296	0.6
127.04097	0.6
131.03572	1.2
133.03044	1.6
135.04501	3.7
143.03542	2.4
149.04597	0.9
151.11284	0.7
159.03043	1.5
161.02492	1.1
161.04562	7.9
173.04585	3.1
179.05618	3.8
187.13416	5.8
191.05627	10.6
205.66939	0.6
215.05833	0.8
234.00766	0.6
243.83339	0.6
253.14656	1.0
255.06610	0.8
257.08347	1.6
259.27045	0.6
262.58707	0.7
272.23114	0.6
304.07922	1.3
331.17572	2.0
349.18652	15.0
350.19202	2.2
391.18967	0.9
391.27078	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67330	0.6
52.71978	0.7
55.01876	1.9
57.03447	2.1
58.00615	0.8
59.01385	100.0
60.01713	1.2
63.73308	0.7
67.01903	1.1
69.03474	1.0
69.58790	4.8
71.01386	39.9
72.99334	1.4
73.02955	19.1
75.00887	1.5
81.03409	1.0
83.01396	5.6
85.02956	13.7
87.00886	12.8
87.04522	1.2
89.02454	13.9
93.03452	5.7
95.01417	2.3
97.02959	1.3
99.00880	4.1
101.02453	29.4
103.00360	0.9
111.00883	1.6
111.04568	0.9
113.02457	14.2
115.07687	1.1
119.03546	3.9
125.02499	1.5
129.01965	1.2
132.72162	0.7
133.02956	1.3
135.04538	4.9
137.02571	0.9
141.09227	21.0
143.03578	2.2
143.10786	6.6
153.12929	1.4
159.02977	3.6
161.02516	1.4
161.04558	15.7
167.10837	2.0
169.12256	1.0
173.04546	5.1
176.03580	1.3
187.13446	1.3
191.05614	15.8
192.06068	0.9
211.13455	0.8
213.09264	1.1
255.06749	0.8
257.08191	1.4
259.15549	2.2
304.07449	1.0
304.57910	1.1
331.17651	8.8
332.18149	1.4
349.18677	32.6
350.19159	4.1
351.07285	1.2
391.11456	1.5
391.19943	2.4
391.27002	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21364	0.4
59.01387	100.0
60.01721	1.5
61.60669	0.4
64.23270	0.4
69.26934	0.4
71.01401	1.5
71.54453	0.5
73.02970	0.6
75.00916	0.4
79.95772	1.1
80.96529	1.3
85.02992	0.7
87.00855	0.5
93.03457	1.0
96.96022	2.1
99.00908	0.4
101.02484	0.6
104.00556	0.4
110.35320	0.4
113.02467	0.4
119.72745	0.5
120.75183	0.5
134.03633	0.6
135.04581	1.0
146.89282	0.5
159.38811	0.4
161.02504	1.1
172.93568	0.4
173.04596	1.3
179.07074	0.5
191.05679	1.3
225.00867	0.4
227.38895	0.4
231.10109	0.5
241.00458	1.6
255.03299	0.5
262.51904	0.5
275.09351	1.6
284.03253	0.7
285.04080	0.8
330.08832	0.5
375.13943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01733	1.3
63.74639	0.6
71.01398	1.2
71.30848	1.0
116.73539	0.6
134.03781	1.0
231.51526	0.6
254.74162	0.6
275.09485	1.2
402.32492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	60.5
71.01410	4.3
75.00888	11.3
80.02684	8.4
83.05017	21.5
84.02164	6.1
90.57713	3.4
95.05047	7.9
97.06609	3.8
98.19877	7.8
99.08151	5.3
119.05029	6.6
121.10216	7.4
127.11282	5.5
130.92548	3.4
137.09732	59.4
138.10037	4.6
139.11339	17.3
151.11293	5.0
151.51984	3.6
153.09232	9.1
155.10794	35.7
171.06036	3.2
171.10272	46.3
172.10663	4.4
193.08432	20.6
193.12350	11.2
207.10028	9.5
209.07806	4.4
211.13380	5.0
233.11649	11.3
247.20673	4.8
263.20068	5.2
265.21738	4.4
269.07025	9.5
275.20078	16.1
283.65204	3.5
291.19653	57.0
293.21231	12.3
309.20721	100.0
310.21057	11.7
317.17346	4.6
319.18896	10.5
331.18903	90.0
332.19254	15.3
391.17868	56.2
392.18265	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	391.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08905	2.1
53.80044	1.8
57.03451	8.3
59.01384	44.8
66.55584	2.0
69.03474	7.1
69.53348	12.2
70.47459	1.8
83.05016	2.4
89.28493	2.0
93.03491	2.9
96.96020	7.2
107.08676	3.0
119.08691	20.3
121.10209	2.7
125.09753	6.4
126.07302	1.8
127.11314	2.5
135.08162	2.5
137.09735	47.0
138.10083	3.4
139.11311	5.2
153.09186	2.0
155.10764	3.1
156.13980	2.0
167.10814	4.0
171.10284	100.0
172.10635	4.9
175.52115	2.1
179.10616	4.6
183.10408	2.9
185.11836	24.6
193.08493	15.0
197.11845	2.5
201.11357	6.7
207.10033	97.3
208.10431	6.8
209.10275	2.8
213.11305	5.3
219.09984	3.2
223.11891	3.1
225.09885	2.3
227.18127	2.9
232.03386	2.3
245.19159	7.8
246.19627	1.9
253.09285	7.4
267.10815	2.1
273.18616	10.9
291.19662	31.9
292.19943	4.6
295.16736	4.6
309.20731	78.5
310.21194	10.3
313.17859	80.2
314.18155	10.4
331.18491	3.5
373.18777	3.1
391.20288	10.2
392.20441	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	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30609	1.4
56.05238	1.4
59.01390	23.7
61.98838	2.0
67.21807	1.5
68.17655	1.5
69.03456	4.2
70.85232	3.5
70.85568	2.0
83.01400	2.3
83.05046	1.8
96.96062	1.9
97.02961	40.4
102.19088	1.3
109.19549	1.8
111.04514	2.7
123.08155	1.9
137.09709	5.9
151.11353	2.7
171.10268	6.1
193.08470	4.7
195.13899	2.4
207.09978	3.8
210.00171	2.0
221.11827	3.3
233.11597	4.2
239.12904	2.1
240.13724	2.4
247.20689	4.9
261.11127	3.1
262.11884	100.0
263.12326	8.7
265.12405	2.8
291.19693	59.9
292.20068	4.7
294.09760	3.2
309.20718	59.8
310.21039	7.1
313.17880	5.5
322.12714	7.1
331.18930	47.8
332.19012	6.6
390.99579	3.8
391.20230	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	391.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.7
59.01386	49.9
67.33933	2.4
67.93005	2.4
69.03460	6.1
71.01392	4.8
71.02831	2.4
71.08910	3.0
71.09239	4.7
73.62160	2.5
89.72432	2.4
93.03472	4.5
99.92576	4.6
119.08672	19.7
123.08138	2.8
125.09718	6.5
137.09724	25.1
139.11270	7.0
155.10826	5.5
171.10286	70.3
172.10670	3.5
179.10455	4.3
181.00668	2.6
183.10268	5.0
185.11848	15.5
193.08458	7.0
201.11302	5.9
207.10030	100.0
207.11963	5.9
208.10381	4.3
213.11357	6.8
223.11894	3.3
233.11526	3.5
245.19049	7.6
273.18564	7.3
291.19717	15.2
295.16730	5.9
309.20728	91.4
310.21082	11.5
313.17877	78.1
314.18210	10.9
331.17914	2.9
373.18692	8.5
374.19037	3.0
391.20120	11.8
391.26471	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.00597	1.2
58.03783	2.5
59.01386	52.5
60.01713	1.6
64.76063	0.9
68.61504	1.1
69.64984	4.1
69.65392	1.6
70.06344	1.0
71.01385	26.9
72.99294	1.2
73.02950	19.3
74.03248	1.0
75.66572	1.0
79.05538	3.1
81.03482	2.6
83.01398	6.7
85.02958	4.5
86.47084	0.9
87.00863	2.1
87.03859	1.0
89.02460	12.7
93.03442	1.9
95.01404	1.3
95.05032	1.7
96.96020	3.2
97.06630	2.0
99.04527	58.2
100.04877	2.0
101.02451	39.0
109.02947	1.3
113.02464	10.2
113.06097	6.3
119.03496	4.3
123.03736	1.6
123.04552	16.0
125.02471	16.5
128.03447	1.2
129.24731	1.0
131.03496	2.6
141.05568	4.0
143.03508	2.2
153.05586	2.1
158.91473	1.1
161.04539	10.0
173.04514	2.2
191.05611	3.2
192.06026	1.1
209.08203	1.3
213.11292	3.6
241.00226	2.1
392.15170	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	392.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73356	0.8
53.43951	0.8
55.01881	1.2
57.03445	4.9
59.01388	37.4
60.01709	0.6
65.82417	0.7
66.74907	0.7
71.01386	14.5
71.14973	0.6
72.04548	1.5
72.99326	1.3
73.02948	3.1
83.01403	2.4
85.02959	14.6
86.03282	0.9
87.00899	1.4
89.02449	8.8
93.03468	2.2
95.01392	1.9
98.20689	1.6
99.04527	2.4
101.02446	11.9
113.02447	4.6
119.03512	2.7
125.02449	1.3
127.04119	0.6
129.01936	2.2
135.04535	1.6
145.56305	0.7
156.13957	14.4
161.02464	1.3
161.04567	2.2
168.13972	5.8
168.88727	0.7
173.04611	2.5
179.03496	0.7
182.11884	4.2
184.13446	24.1
185.13777	1.3
186.14989	1.0
191.05577	3.6
194.11858	1.5
209.28235	0.7
212.12924	24.3
213.13304	2.3
230.13982	20.8
230.15825	0.4
231.14374	1.1
257.08289	0.9
261.15326	0.7
274.09802	0.7
283.49579	0.7
298.04895	1.1
313.07138	3.4
365.04123	0.8
385.27222	0.7
392.19293	100.0
392.27469	2.7
393.19647	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	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	24.2
61.98838	100.0
69.17191	15.4
69.17603	4.7
134.60591	2.2
144.88449	2.1
193.85968	1.9
196.92934	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22580	0.6
54.19161	0.6
59.01385	83.3
60.01717	1.2
61.98818	0.6
68.87770	0.7
69.49658	1.4
69.50058	3.7
71.01393	6.7
72.99313	2.8
79.95741	4.3
80.96518	1.8
83.05003	0.6
85.02969	2.2
87.00899	1.3
89.02444	1.2
90.04221	0.7
93.03474	2.0
93.50699	0.6
94.12545	0.7
94.98102	0.8
95.05014	0.7
95.95238	10.6
96.96021	100.0
99.34526	0.6
101.02451	1.4
102.09919	0.7
105.03461	1.8
109.74570	0.7
110.97574	0.9
113.02468	0.7
118.85186	0.8
119.03495	0.7
122.97581	1.4
130.22575	0.7
132.04572	0.9
133.03020	1.5
147.04471	0.7
150.97098	11.6
151.04028	8.7
161.02460	32.5
162.02838	1.9
165.05595	0.7
173.02533	0.9
173.04535	1.6
176.03340	1.3
176.04803	21.3
177.05219	1.9
179.03508	52.0
180.03833	3.4
182.99693	13.5
191.05620	6.7
191.07173	9.2
193.18068	0.6
194.05856	55.9
195.06148	3.9
201.02060	1.1
209.08211	83.1
210.08495	6.2
219.02914	1.0
249.06119	2.4
264.60541	0.6
333.15500	1.6
361.06058	0.9
393.08655	33.1
393.13144	2.8
394.08716	3.3
415.25751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01729	1.8
61.98827	1.1
71.01389	6.1
71.53185	0.8
71.53553	0.5
72.99329	1.8
73.02975	1.4
79.95737	2.9
80.63766	0.5
80.96518	1.3
85.02988	1.7
87.00887	1.2
89.02472	2.2
93.03464	2.7
95.95239	5.3
96.96021	57.5
101.02467	2.6
105.03457	1.1
105.50283	0.5
107.16921	0.5
110.97652	0.8
111.04541	0.7
111.08201	0.8
113.02472	1.6
116.07243	0.7
119.03586	0.7
122.97636	0.6
128.03535	0.8
128.04486	0.5
133.02988	1.2
134.70927	0.5
135.04561	0.9
143.04622	0.6
146.03700	0.7
147.04559	0.6
150.03256	0.7
150.97079	6.8
151.03990	4.9
152.01161	0.8
157.08763	0.9
161.02461	20.3
161.04573	1.3
162.02917	1.1
163.04030	0.6
165.01985	0.8
165.05646	0.8
167.03520	0.8
171.10333	0.6
173.04605	2.2
175.03999	0.9
176.04813	12.9
177.05209	1.3
178.55002	0.6
179.03516	35.5
180.03998	1.9
182.99731	5.7
187.04193	0.5
189.01927	0.8
191.05678	10.0
191.07256	3.7
192.06078	1.2
194.05855	33.8
195.06221	2.5
209.08209	46.7
210.08618	2.4
216.98198	0.5
219.03128	0.9
249.06496	0.7
291.14554	0.6
331.13104	2.4
333.15686	1.1
345.13712	0.6
361.06168	0.6
393.08612	16.6
393.12985	1.9
393.24945	1.6
394.09003	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	393.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01729	1.8
61.98827	1.1
71.01389	6.1
71.53185	0.8
71.53553	0.5
72.99329	1.8
73.02975	1.4
79.95737	2.9
80.63766	0.5
80.96518	1.3
85.02988	1.7
87.00887	1.2
89.02472	2.2
93.03464	2.7
95.95239	5.3
96.96021	57.5
101.02467	2.6
105.03457	1.1
105.50283	0.5
107.16921	0.5
110.97652	0.8
111.04541	0.7
111.08201	0.8
113.02472	1.6
116.07243	0.7
119.03586	0.7
122.97636	0.6
128.03535	0.8
128.04486	0.5
133.02988	1.2
134.70927	0.5
135.04561	0.9
143.04622	0.6
146.03700	0.7
147.04559	0.6
150.03256	0.7
150.97079	6.8
151.03990	4.9
152.01161	0.8
157.08763	0.9
161.02461	20.3
161.04573	1.3
162.02917	1.1
163.04030	0.6
165.01985	0.8
165.05646	0.8
167.03520	0.8
171.10333	0.6
173.04605	2.2
175.03999	0.9
176.04813	12.9
177.05209	1.3
178.55002	0.6
179.03516	35.5
180.03998	1.9
182.99731	5.7
187.04193	0.5
189.01927	0.8
191.05678	10.0
191.07256	3.7
192.06078	1.2
194.05855	33.8
195.06221	2.5
209.08209	46.7
210.08618	2.4
216.98198	0.5
219.03128	0.9
249.06496	0.7
291.14554	0.6
331.13104	2.4
333.15686	1.1
345.13712	0.6
361.06168	0.6
393.08612	16.6
393.12985	1.9
393.24945	1.6
394.09003	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
55.54113	1.0
57.03456	100.0
57.45002	1.0
58.03793	2.0
59.01387	90.7
71.01392	13.3
73.02962	6.1
80.07026	1.3
83.01383	2.9
85.02961	8.1
89.02435	2.6
93.03488	2.2
95.01370	1.5
99.00909	2.4
99.04530	79.6
100.04852	1.5
101.02452	35.3
113.02460	6.0
125.02468	22.6
143.03453	2.2
159.02953	2.0
161.04617	5.5
173.04503	3.5
183.50354	1.4
187.07677	3.0
191.05667	2.1
216.46373	1.3
249.13437	32.4
250.13857	2.2
257.08218	1.7
291.14520	2.1
341.89822	1.3
368.21112	1.2
393.17581	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03455	100.0
58.03790	1.3
59.01386	74.1
60.01720	0.8
62.69617	0.7
69.25814	1.2
69.26217	4.9
71.01383	13.3
73.02967	4.8
81.03481	2.4
83.01387	4.4
85.02956	6.4
89.02464	1.8
93.03469	0.8
98.20726	1.3
99.00907	2.7
99.04529	67.1
100.04879	2.8
101.02454	31.3
102.02799	1.1
113.02473	5.9
117.03466	0.7
125.02458	18.8
125.03331	1.2
140.28729	0.6
143.03542	2.2
145.02974	1.2
159.03009	1.3
160.74779	0.6
161.02408	0.9
161.04567	4.5
167.03609	1.0
173.04561	1.3
188.75700	0.6
191.05638	1.5
205.09671	0.6
213.35477	0.7
249.13467	28.1
250.13934	2.3
291.14670	1.4
307.08752	0.6
393.17886	2.6
400.49704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
71.54199	0.5
78.74698	0.3
78.95909	66.7
80.41914	0.4
96.90316	0.4
96.96963	5.5
101.06029	0.4
113.62090	0.4
150.98018	1.5
152.99594	100.0
153.99933	2.1
161.02466	1.2
171.00652	2.3
239.20163	1.5
264.11481	0.5
355.35947	0.4
363.09113	0.4
393.13504	1.4
393.20505	8.7
394.20786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	1.5
71.01407	0.8
71.54432	1.1
78.05004	0.6
78.05441	0.6
84.68292	0.7
93.14874	0.6
96.96028	1.5
118.98975	0.6
133.02972	0.9
134.03723	0.9
135.04565	1.5
137.02480	0.7
161.02417	1.0
173.04562	1.1
179.03520	1.3
191.05574	1.0
263.06107	0.6
275.09442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43924	0.9
53.85591	0.8
59.01387	100.0
60.01714	1.4
61.98837	5.2
68.72648	0.7
78.99461	0.9
80.27026	0.8
98.19897	2.5
135.68544	0.8
146.13327	0.8
161.02422	2.3
191.05785	1.0
229.08603	1.0
357.72751	0.8
393.05975	1.4
393.13275	1.8
393.17712	1.2
393.45776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98015	1.9
51.87266	2.0
57.03436	4.3
59.01385	26.1
61.27516	2.0
63.55401	1.9
69.03482	2.2
71.53839	2.2
88.05170	1.8
92.77406	1.9
99.92587	3.1
123.08142	1.8
125.09696	2.4
127.11288	5.8
137.09795	2.2
139.11295	31.2
140.11583	2.3
141.01918	1.8
145.53558	1.9
155.10736	3.8
159.07780	1.9
161.02469	2.4
171.10271	49.9
179.10551	2.4
183.10336	4.4
185.11829	6.9
193.08456	17.1
201.11328	10.6
207.10046	30.1
209.10376	2.5
219.09969	3.9
223.11813	4.3
233.11571	6.3
247.20752	4.2
253.09363	7.0
267.10837	4.4
275.20279	4.5
293.21286	9.1
311.22287	100.0
312.22650	13.2
315.19391	42.5
316.19797	3.0
333.20483	25.0
334.20764	2.8
374.59979	2.2
377.19513	6.3
393.13535	4.6
393.21457	11.1
394.21866	2.8
414.42444	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	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82617	1.8
59.01385	19.6
61.98832	4.9
71.23930	4.3
73.51328	1.8
79.43936	1.8
93.03428	2.5
96.96018	1.9
119.49982	2.1
125.07349	2.0
139.11311	4.5
153.09258	2.2
154.10034	2.2
155.10753	2.4
161.02557	2.9
171.10277	5.0
185.11790	2.5
193.08522	4.0
195.13821	4.4
197.12012	2.0
219.10025	5.8
220.10579	2.5
233.11713	4.5
249.22487	2.6
258.12457	3.4
262.11908	11.3
293.21262	53.4
294.21494	4.9
300.16534	2.1
305.20377	2.0
311.22302	95.5
312.22580	9.6
315.19360	10.9
316.19800	2.4
318.73349	2.1
333.20422	100.0
334.20602	12.9
393.13586	2.5
393.22137	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	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.1
59.01384	23.3
61.98833	24.1
66.07529	0.9
69.03468	1.1
69.77539	5.7
72.75214	0.9
83.86897	0.9
99.92527	1.1
104.98204	1.0
121.10226	1.8
123.08141	1.2
125.09776	6.9
127.11303	6.0
137.09717	1.5
139.10222	2.4
139.11302	48.5
140.11655	3.1
151.11298	1.0
155.10817	2.4
165.09113	2.2
167.10680	1.3
171.10280	61.2
172.10591	3.8
183.10245	5.6
185.11845	14.0
191.06923	1.3
193.08469	98.0
194.08714	5.3
201.11343	9.1
206.24982	0.9
207.09981	1.7
209.08028	1.4
209.10219	2.0
223.09544	1.2
223.11902	1.8
247.20720	1.7
253.09312	10.0
254.09525	1.3
267.10809	2.2
275.20181	3.8
293.21255	17.0
294.21664	1.5
311.22302	100.0
312.22662	12.2
315.19440	13.2
316.19739	1.2
333.20493	10.4
393.13513	1.4
393.22083	10.9
394.22437	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	80.0
71.28111	100.0
71.28472	75.8
93.45742	62.5
131.02934	65.4
256.15878	84.5
263.84369	72.6
317.31970	63.2
339.40662	77.8
393.20673	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21550	0.7
57.03445	1.0
58.99609	1.2
59.01389	24.7
61.98843	1.6
62.43104	0.7
66.02891	0.6
69.03443	0.6
70.81580	0.6
70.90701	1.7
70.91057	0.7
71.01389	34.6
72.01743	0.8
72.99309	1.1
73.02946	1.7
74.02448	0.7
83.01392	1.5
85.02986	4.0
85.06598	10.8
87.00876	2.9
88.04053	6.2
89.02452	11.2
93.03465	1.4
95.01364	1.1
96.96020	2.1
97.43184	0.7
99.00895	0.8
101.02464	12.3
101.04317	19.4
102.98649	3.9
113.02483	5.1
113.06110	1.9
119.03507	3.2
121.03006	1.0
123.52956	0.7
125.02385	0.9
130.08759	1.0
139.92250	0.6
142.08746	2.9
143.03406	0.8
145.03285	0.9
157.29466	0.7
160.09808	46.7
161.04573	2.2
161.10127	1.7
191.05666	2.6
214.10924	0.9
249.06172	2.2
256.82202	0.7
282.52423	0.7
283.04999	3.0
322.14981	5.9
376.16125	0.9
394.17197	100.0
395.17596	13.6
395.22855	1.1
419.54877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0774
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
59.01374	2.4
65.00328	2.0
66.56075	0.5
71.01420	0.6
71.54579	0.6
85.02953	1.1
93.03491	0.7
96.96021	1.1
97.02962	0.9
101.02493	0.6
107.01385	2.8
121.02982	0.5
128.03558	0.5
133.02975	1.0
137.02548	0.6
141.26321	0.5
148.58395	0.5
149.02467	1.6
151.00386	7.0
155.15230	0.5
158.03732	1.2
159.04556	2.5
161.02513	1.1
169.01393	0.5
173.04628	1.2
173.06059	1.0
174.05031	0.5
182.03871	0.6
187.07628	0.6
197.06081	0.9
199.03955	0.7
199.07703	1.2
215.07146	17.8
216.07567	1.9
226.02745	1.8
227.03511	0.6
241.04993	0.8
251.03453	0.7
251.13924	0.6
253.04974	0.5
253.08678	1.5
254.02141	1.4
254.05733	0.6
257.08282	1.4
269.04575	7.2
270.05035	0.9
281.04474	0.7
281.08130	1.0
281.36603	0.6
282.02368	0.7
282.05383	4.3
283.02530	0.5
283.06021	1.3
285.03998	4.6
297.04047	3.1
298.04770	1.6
309.04129	2.0
310.04871	4.5
311.05637	4.1
325.07208	1.5
334.04776	1.9
337.03412	0.7
339.04974	0.6
339.08719	2.0
349.07181	1.2
351.08844	4.0
352.09177	0.9
367.08243	100.0
368.08560	14.1
381.15067	0.6
395.07550	50.5
396.07910	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	395.0775
Annotation	Aklanonate
Peak:m/z	Relative Intensity
56.27660	1.0
59.01374	3.1
65.00326	4.1
71.54414	1.6
80.75526	0.9
83.01377	3.2
84.95996	1.0
90.37694	1.2
107.01379	7.1
121.02918	1.6
149.02477	2.5
151.00380	15.1
158.03712	1.5
173.04599	1.2
177.01811	1.5
181.06596	5.0
182.03734	2.6
183.04463	3.1
191.05707	2.2
197.06091	1.5
198.03185	1.5
199.07652	28.6
200.08022	2.5
226.02722	6.9
241.08685	1.8
249.08696	1.3
254.02150	5.8
255.02704	1.9
258.20346	1.3
265.05069	1.0
265.08649	2.1
269.04578	21.7
270.05002	1.8
283.02420	7.5
283.09692	1.4
284.03146	2.1
284.76242	1.1
293.04382	1.3
294.05350	1.4
297.04150	7.7
298.04761	3.2
322.04739	4.9
323.05209	1.1
331.42535	1.1
333.07706	8.2
335.05713	2.1
351.08740	100.0
352.09116	16.2
367.08173	3.0
380.08936	1.8
395.07660	87.9
395.11493	16.1
396.07687	12.8
396.12045	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	395.1139
Annotation	8-C-Methylvelloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
53.41622	0.9
55.92650	0.8
57.73436	0.9
59.01378	3.1
63.69897	0.9
65.00327	7.3
69.21274	2.5
69.21677	7.1
71.01385	0.9
71.62599	0.9
74.44647	0.9
84.28602	0.9
89.00333	1.6
90.22369	0.9
91.01929	1.3
93.03484	1.4
96.96021	2.4
97.02953	4.4
98.19846	1.8
104.18584	0.9
109.03046	1.3
121.02945	2.5
124.01665	5.9
139.04022	6.4
146.03728	4.5
149.99615	1.9
151.06708	0.9
158.03725	2.4
159.04556	1.1
161.02454	4.2
165.01958	19.1
172.05310	18.9
173.02509	1.5
173.05846	1.7
174.03148	5.4
175.03943	1.5
179.03520	1.3
183.08133	1.6
185.06094	4.1
186.03278	1.2
186.06891	4.7
187.03934	2.5
188.04852	1.2
191.05626	1.8
199.03975	2.5
199.07652	1.7
200.04808	6.5
201.09229	74.1
201.45197	1.1
202.09550	5.8
211.04160	1.4
212.04808	1.1
226.02727	3.8
227.03491	1.8
227.07124	5.4
229.08701	49.4
230.09000	4.8
241.05159	1.5
249.09357	1.1
254.02258	2.6
255.06639	6.0
264.04251	1.2
265.05118	1.2
266.02206	3.3
267.02835	1.8
267.10263	1.9
269.04544	8.6
270.55865	1.2
277.04889	1.4
279.03036	2.0
280.03900	5.1
281.04410	2.0
283.02524	10.3
284.02972	1.2
284.76245	1.1
291.03009	5.5
292.03531	1.7
293.04752	1.2
295.02579	2.3
297.04099	4.2
298.04825	2.0
305.04700	1.2
306.05432	1.3
307.09912	1.5
308.03204	2.6
309.04013	7.2
309.07178	1.3
310.04385	1.3
312.06488	1.2
323.05670	2.3
333.03705	1.3
334.08411	2.7
335.05701	1.5
335.09247	5.9
336.09708	1.1
337.03519	3.2
338.04065	0.9
351.08759	2.9
352.05710	2.0
352.09561	1.4
362.07724	1.5
365.10248	2.3
367.11923	23.1
368.12250	3.2
377.10294	24.3
378.10571	4.6
395.11374	100.0
396.11728	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	395.2206
Annotation	(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate
Peak:m/z	Relative Intensity
59.01384	0.9
70.59841	0.6
78.95912	69.6
80.09486	0.5
82.15510	0.5
96.96978	5.5
117.43671	0.5
122.51125	0.5
124.33672	0.5
127.82224	0.5
150.98073	1.4
152.99597	100.0
153.99971	1.4
171.00616	2.4
204.38768	0.6
241.21799	2.2
277.21817	0.6
314.57135	0.6
395.22061	12.3
396.22467	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.9697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57534	0.3
60.26051	0.4
63.02387	2.7
65.00332	7.7
68.14227	0.5
69.23988	1.8
69.24413	1.7
83.01387	3.5
91.09126	0.3
98.19910	0.7
100.67684	0.4
107.01401	12.9
110.29013	0.3
149.02467	0.5
151.00386	26.5
152.00668	1.3
164.98766	0.8
165.00174	17.1
166.00526	0.5
187.04257	0.4
200.60477	0.4
204.13319	0.5
245.03041	0.5
255.03020	3.5
255.93050	0.4
256.03778	2.0
257.04578	4.1
258.04764	0.7
283.02475	2.4
284.03326	3.4
285.03900	0.6
298.74005	0.4
317.01257	100.0
317.98068	0.8
318.01575	10.5
396.96973	3.6
414.37595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0931
Annotation	Dihydro-NAME
Peak:m/z	Relative Intensity
56.52384	0.8
57.03448	3.7
59.01396	4.2
60.85771	0.9
60.96525	0.8
61.98811	0.8
63.02398	3.1
63.36723	0.8
65.00330	15.9
69.40308	6.8
71.01379	2.5
81.03481	2.7
83.01390	10.0
85.02975	1.5
86.61493	0.8
89.02485	0.8
92.04264	0.7
93.03474	2.6
95.01408	0.9
96.96001	1.1
98.20689	1.6
107.01408	21.0
109.02979	1.5
113.02511	1.9
120.99656	5.3
123.04529	10.0
125.02460	21.9
133.02977	2.0
137.02460	2.8
145.02982	3.1
146.03796	1.2
149.02534	0.9
151.00386	75.4
152.00771	1.7
157.03001	0.9
159.04507	3.0
160.05244	0.9
161.02422	2.8
163.00360	1.2
165.00175	9.2
165.01939	13.1
167.03508	8.4
169.01425	1.6
173.02480	8.9
173.04514	2.4
174.03244	19.8
175.03755	2.6
177.02011	0.9
183.04529	1.5
184.05208	1.0
185.02409	1.3
186.03366	1.3
187.04024	54.4
187.07562	2.5
188.04611	6.8
189.05589	4.7
191.05635	2.5
197.06149	1.1
199.07715	3.3
201.05600	1.9
212.04724	1.5
213.01923	3.9
213.05547	1.0
214.02696	2.2
215.07126	1.2
216.04208	1.1
217.08714	2.5
225.05586	2.3
227.03436	1.2
227.07097	3.3
229.05046	3.8
230.05765	1.2
231.06621	1.0
232.07550	0.9
237.05605	1.1
241.05095	1.3
242.02139	1.0
242.05780	1.0
243.06599	2.7
245.08215	7.3
249.05670	1.8
253.05087	1.6
253.14537	0.9
255.03069	1.9
257.04565	2.7
265.05106	2.9
266.05646	1.1
267.02884	0.9
267.06613	1.9
271.06146	9.0
281.04517	1.3
283.02548	1.9
284.03299	1.7
285.04053	2.8
293.04495	3.2
295.06186	5.8
297.03946	1.4
309.04083	35.5
309.07700	1.7
310.04446	3.8
311.05496	1.1
317.01260	49.9
318.01581	5.1
321.04086	2.3
322.04916	2.9
326.04199	1.1
337.03632	5.0
339.05112	26.7
340.05417	2.6
351.08606	4.9
379.08252	2.3
396.97192	2.4
397.09290	100.0
398.09616	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	397.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
59.38429	0.6
63.08450	0.6
63.19852	0.6
65.00323	2.0
69.36903	4.9
71.01384	2.0
71.05014	1.4
73.02956	0.6
83.01395	1.5
85.02985	0.7
93.03469	2.6
99.04544	4.3
105.46899	0.6
107.01415	3.3
113.02309	0.6
120.99590	0.9
125.02458	1.5
133.02971	2.1
137.02484	1.7
146.03769	1.1
151.00403	11.0
159.04591	0.6
161.02463	1.4
165.00122	1.4
165.01962	0.8
167.03352	0.6
173.04610	1.1
179.03450	0.7
187.04080	0.7
187.07663	3.0
191.05646	1.7
197.06241	0.6
217.08846	0.9
227.03511	1.2
241.05075	1.4
245.08025	1.0
255.03017	0.7
256.03833	1.0
257.04596	1.0
269.04617	3.9
270.05362	18.1
271.05728	1.3
284.03253	1.9
285.04102	7.3
286.04364	0.8
297.04053	14.5
297.07556	0.9
298.04837	48.7
299.05127	5.1
311.05658	2.6
317.01227	9.9
318.01645	0.9
323.05701	1.0
325.03479	1.1
326.04303	5.3
330.03833	14.9
331.04242	1.1
336.06357	0.8
339.08685	1.1
351.08957	2.3
369.09830	18.2
370.10260	2.4
379.08325	5.9
380.08368	0.7
391.57245	0.6
397.09302	100.0
398.09662	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	397.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47282	2.1
55.01887	4.0
57.03447	3.5
58.00598	3.7
59.01386	100.0
61.75132	2.2
62.76216	2.1
63.79041	2.1
69.03475	6.4
71.01389	99.4
72.99326	10.3
73.02957	22.0
81.03460	3.9
83.01418	11.6
85.02960	20.9
87.00880	19.3
89.02462	73.3
91.04002	2.6
95.01413	11.5
97.02965	19.2
99.00888	6.0
101.02458	73.5
102.02777	2.8
108.17143	2.1
111.04546	3.9
113.02474	31.7
115.04008	2.7
119.03506	25.4
121.02947	2.4
125.02467	21.5
131.03522	5.4
133.05078	6.5
139.04013	4.1
143.03506	9.8
152.82727	2.3
161.04558	12.0
169.05003	3.0
179.05618	7.0
199.07661	2.7
202.64322	2.0
217.07283	2.4
221.06636	5.1
227.07195	6.6
235.08243	21.2
236.08669	2.9
253.09410	2.8
271.09821	2.2
274.78754	2.5
300.13635	6.7
379.12784	2.3
397.13614	69.7
398.13983	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	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85570	3.1
54.97675	2.8
55.01873	3.4
58.00598	5.1
59.01387	100.0
69.03444	5.8
71.01390	91.0
71.54216	3.4
72.99332	5.4
73.02960	17.2
81.03477	4.1
83.01392	11.3
85.02962	20.3
86.24709	2.8
87.00875	19.2
87.02774	3.1
89.02454	73.2
91.04016	3.4
95.01395	8.2
97.02953	13.9
99.00893	8.3
101.02462	71.5
113.02462	30.5
119.03516	23.3
120.99712	3.0
125.02463	17.9
131.03548	3.1
133.05067	6.2
139.97722	2.9
143.03488	12.9
161.04556	16.7
163.17714	2.9
169.05000	3.6
179.05623	7.6
196.19775	2.9
217.07121	3.7
235.08267	22.3
235.10300	4.1
275.20139	5.1
277.09271	2.9
309.18997	3.4
397.08524	4.5
397.13547	74.8
398.13791	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	397.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10682	3.2
55.01868	7.0
58.00599	3.6
59.01389	100.0
61.98859	3.6
63.55711	3.0
69.03467	6.4
70.03902	3.2
70.74087	8.5
71.01389	71.9
72.99313	7.3
73.02953	18.8
81.03444	4.0
83.01410	7.6
85.02969	21.1
87.00888	16.8
89.02453	59.8
89.14935	2.8
95.01392	4.8
97.02949	15.8
101.02457	65.4
103.54897	3.3
111.04497	3.9
112.78519	3.3
113.02475	30.5
119.03514	23.8
120.32280	3.1
121.02946	3.1
125.02476	20.4
131.03534	3.0
133.05074	3.2
139.04073	3.4
143.03529	14.6
145.84822	3.2
158.81767	2.9
159.31450	3.2
161.04556	11.8
164.99118	2.9
174.31552	3.0
179.05670	4.9
235.08258	21.9
244.25914	3.2
249.95393	3.6
253.09181	5.7
286.06738	4.6
397.13464	60.3
397.23853	4.5
398.13840	7.5
405.83731	3.3
406.24091	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	397.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.9
57.03458	6.6
58.00606	1.6
59.01386	52.6
69.03448	2.0
71.01390	100.0
72.01704	1.6
72.99313	4.0
73.02560	2.0
73.02953	32.4
74.03284	1.2
75.00866	1.8
75.94492	0.9
83.01392	17.5
85.02961	49.8
86.03294	1.4
87.00896	5.7
89.02459	18.6
95.01409	6.0
95.01991	0.9
97.02975	2.4
99.00900	11.7
101.02452	94.7
102.02780	1.7
111.00906	1.8
113.02458	43.9
114.02811	1.8
119.03498	6.1
125.02442	5.2
129.01927	2.6
143.03465	6.2
159.03023	10.6
160.29968	1.1
161.04565	41.0
161.05916	2.0
162.04942	1.5
179.05602	2.6
201.08476	0.9
235.11890	67.6
236.12166	4.0
342.20438	1.1
397.17169	52.1
398.17432	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	397.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	9.1
57.03458	5.7
58.00582	2.0
59.01384	51.3
69.03456	2.1
69.42648	5.6
69.43049	2.1
71.01389	100.0
72.99314	3.9
73.02954	36.0
75.00867	1.9
81.03468	1.1
83.01395	19.3
85.02959	46.3
87.00881	4.3
89.02455	17.5
95.01400	7.1
97.02957	3.2
99.00884	13.1
101.02454	95.8
102.02814	2.9
111.00907	1.2
111.53474	1.0
113.02462	42.1
114.02799	1.4
119.03502	5.1
125.02460	4.1
129.01956	2.2
131.03534	1.2
143.03490	5.6
156.42664	1.0
159.02992	9.5
161.04573	44.8
179.05684	2.3
235.11888	66.5
236.12248	5.1
263.07745	1.4
306.17938	1.1
397.17145	49.4
398.17392	6.4
422.12070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1771
Annotation	Volkensine
Peak:m/z	Relative Intensity
59.01374	4.5
59.11014	1.0
61.98819	3.5
68.94088	1.1
69.78491	5.2
72.04553	1.2
79.44276	1.0
91.01931	1.4
101.03970	2.4
105.03462	2.3
107.03777	4.2
108.04566	100.0
109.04896	4.6
114.09245	10.1
117.03453	4.0
118.02980	4.2
119.05025	6.7
121.02962	2.8
132.02190	2.4
133.02972	21.8
134.02486	10.6
134.03616	2.4
135.04498	1.6
137.02429	3.6
139.03998	1.8
145.02962	2.1
147.04532	1.3
148.05330	2.4
151.00401	1.3
152.00826	1.3
152.03546	46.3
153.03903	1.0
161.02466	2.4
163.04025	4.8
177.01949	3.3
178.02718	3.1
178.08707	2.5
183.14259	1.3
220.07664	6.3
238.08749	19.1
239.09277	2.4
252.06520	2.3
262.14575	1.5
269.12961	8.4
271.12033	1.2
305.21265	1.7
382.12350	1.4
397.10089	6.8
397.17715	66.4
398.10089	13.9
398.17920	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44634	0.4
69.03462	2.3
69.49426	2.9
76.65441	0.4
84.85403	0.4
93.03465	1.3
98.20625	0.8
104.88719	0.4
107.05040	0.9
109.02979	0.7
117.03471	7.0
119.05038	78.9
120.05372	3.9
121.02972	2.3
132.02158	1.5
133.02971	19.0
134.03812	3.4
135.04536	46.3
136.04866	2.7
137.02493	2.4
137.86871	0.4
145.02962	33.4
146.03365	1.6
147.04517	0.9
148.05348	0.5
159.04514	1.9
161.02455	48.5
161.06076	6.1
162.02786	2.6
163.04019	79.1
164.04387	4.7
173.06055	0.8
178.02759	0.7
179.03510	14.5
180.03894	1.2
191.05695	0.7
216.48557	0.4
219.06592	1.1
235.06120	15.8
236.06396	0.9
237.07695	2.3
253.07188	44.3
254.07538	3.1
309.65323	0.5
399.10858	100.0
400.11203	16.8
400.16513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71936	0.9
67.43737	0.9
69.03456	2.3
70.84055	1.9
75.21960	1.0
93.03487	2.4
95.23712	1.1
97.82478	1.0
100.22748	1.0
113.02385	0.9
117.03488	8.1
119.05038	82.0
120.05374	3.4
121.02962	2.3
132.02208	1.1
133.02969	24.9
134.03758	4.2
135.04538	44.7
136.04875	2.4
137.02428	2.7
145.02963	35.2
146.03366	1.9
151.00386	1.2
159.04553	1.7
161.02452	53.0
161.06104	5.7
162.02809	2.5
163.04024	78.9
163.87299	1.0
164.04387	4.7
178.03003	0.9
179.03510	15.0
180.04059	0.9
187.90506	1.1
205.04893	1.2
216.66997	1.0
219.06593	1.4
235.06129	15.4
236.06479	1.7
237.07716	3.0
253.07181	48.0
254.07445	3.3
381.09738	4.4
399.10867	100.0
400.11157	14.3
409.40311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52138	0.5
51.46439	0.4
55.64977	0.4
58.00608	0.5
59.01382	8.8
71.01390	7.3
71.30817	0.5
73.02949	2.3
73.72778	0.5
83.01384	0.8
85.02949	3.5
89.02468	3.3
91.04037	1.0
93.03471	1.9
93.32969	0.5
95.01404	0.7
96.96062	0.7
99.00883	0.7
99.04549	0.5
101.02463	4.7
106.00644	0.5
113.02471	3.3
117.03477	23.2
118.03803	0.6
119.03616	1.4
119.05040	55.1
120.05381	2.2
123.04542	0.5
132.47806	0.5
137.09744	0.5
145.02968	100.0
145.97261	0.5
146.03275	5.8
161.04643	0.7
163.04025	72.7
164.04309	4.4
173.04514	0.7
186.79169	0.5
191.05646	4.0
211.74437	0.5
219.06630	1.5
237.07690	1.7
241.00272	1.1
253.09335	1.4
399.12970	50.6
400.13443	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	399.1299
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
53.94728	0.5
59.01386	9.3
61.75621	0.6
65.98360	0.5
71.01382	6.0
73.02971	1.5
78.67481	0.4
83.01395	1.4
85.02948	3.0
89.02459	3.4
91.03996	1.0
93.03455	0.8
95.01369	0.5
99.00868	0.8
101.02462	5.1
113.02460	2.7
117.03477	23.9
118.03835	1.0
119.05041	40.6
120.05381	2.1
121.02991	0.7
142.04294	0.5
145.02968	100.0
146.03304	4.3
161.04530	1.2
163.04022	57.4
164.04388	3.5
168.93781	0.5
182.90584	0.5
190.79974	0.5
191.05592	1.1
219.06618	1.8
237.07747	1.4
253.09425	1.1
399.12994	42.1
400.09378	0.6
400.13419	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00121	2.5
57.14032	2.3
59.01385	15.5
59.64730	2.7
61.71732	2.4
61.98842	2.9
71.01385	15.5
71.07850	5.2
72.99296	4.5
73.02946	9.2
76.98672	3.9
83.01395	2.7
85.02948	10.8
87.00883	62.0
89.02467	13.6
96.96012	3.3
97.02953	3.0
101.02448	9.2
113.02462	10.7
119.03532	5.8
121.02936	2.7
123.00864	4.9
135.04550	4.6
138.03212	5.9
149.02477	3.3
151.00371	6.3
161.02444	10.5
163.04022	26.8
164.04803	19.2
165.05331	3.4
166.02757	8.3
173.02354	4.2
175.04021	4.5
175.73183	2.8
176.04799	14.6
177.01912	6.1
177.05597	3.7
178.06413	21.4
179.03523	10.8
179.05696	4.3
179.07129	37.5
181.05080	11.7
190.02643	3.0
191.03479	24.1
191.07097	5.8
192.04176	6.4
193.04993	13.1
193.08698	4.0
194.05800	6.9
201.01926	3.6
201.41731	3.2
203.03525	10.4
205.01424	3.2
205.05064	10.9
206.05812	9.9
207.06563	3.6
209.08168	11.9
218.05740	3.6
219.02934	6.7
221.04530	5.9
221.08281	10.3
234.05287	6.2
237.07652	6.8
247.02457	8.2
247.06079	3.7
249.07677	9.3
250.04698	4.3
251.09258	3.7
261.07660	5.1
262.04840	12.4
265.07199	82.1
266.07556	7.1
277.07202	36.2
295.08240	100.0
296.08463	7.9
325.09402	4.7
330.51706	2.9
337.09149	4.1
341.10870	21.0
355.10233	22.7
356.10806	4.4
364.60977	3.5
383.09723	8.6
401.10880	99.7
402.11200	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	401.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74756	0.3
53.98719	0.3
55.79715	0.3
58.00632	0.3
59.01384	7.4
61.29783	0.3
62.19785	0.3
69.41891	0.3
70.83305	0.5
70.83636	0.5
71.01383	1.4
73.02954	0.3
85.02961	0.7
87.00880	0.5
89.02459	1.1
91.04008	1.6
93.03464	9.7
93.04034	0.7
94.03786	0.5
96.13056	0.3
96.96021	0.7
105.04947	0.3
117.03466	1.1
119.05035	2.2
121.02970	0.5
123.04527	1.4
130.04280	0.6
131.05043	2.2
133.02968	2.3
135.04594	0.7
137.02454	0.4
143.05042	9.4
144.05373	0.8
145.02975	1.3
147.04576	0.4
159.04550	0.6
163.04022	0.8
171.04524	1.5
173.04561	1.1
175.04106	0.4
191.05614	3.6
192.05991	0.4
200.41634	0.4
209.06027	0.4
210.06862	7.1
211.07658	100.0
212.08002	8.7
221.06049	0.3
222.06868	0.7
223.07588	0.6
232.73976	0.4
235.07681	2.7
237.09222	2.6
247.07652	0.4
252.39584	0.3
263.07080	0.4
265.08704	13.2
266.09012	1.5
309.07697	5.8
310.08099	0.9
327.08746	0.6
341.11041	0.4
401.12228	1.0
401.17520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06419	6.5
54.46893	6.5
59.01382	63.0
62.65665	6.4
69.56884	45.2
71.01398	44.3
77.23092	7.1
85.02979	8.9
89.02459	73.1
94.41287	6.6
98.20634	14.5
101.02444	20.2
113.02475	25.1
119.03514	26.0
161.04605	11.1
179.05649	25.7
191.25305	6.8
254.03835	6.2
287.31223	6.9
341.10889	100.0
342.11133	9.9
404.56830	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	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.44686	8.8
70.24234	15.0
70.24622	15.8
71.01393	59.8
71.01718	8.9
72.99310	11.7
81.34422	8.4
87.00874	15.1
89.02471	67.5
98.19958	9.2
101.02458	33.2
113.02455	24.1
119.03503	28.9
125.35227	8.1
135.98518	9.6
137.45096	9.6
142.00798	8.4
161.04565	10.2
179.05653	30.8
230.14365	9.2
234.63739	8.1
265.07040	10.6
306.29446	7.7
341.10818	95.6
342.11328	8.5
357.78345	11.4
401.10928	15.9
418.89859	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	401.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25741	2.7
57.03444	5.5
58.00593	6.6
59.01387	100.0
61.64394	2.9
61.98821	4.3
62.84987	2.9
69.73159	14.4
71.01389	67.6
72.99331	7.1
73.02959	12.8
73.04110	4.5
78.23371	3.2
83.01387	4.3
85.02961	28.8
87.00888	5.8
88.04045	6.2
89.02458	58.0
93.03478	9.6
95.01395	5.5
96.00927	3.2
96.96008	8.1
97.02946	4.0
99.00890	4.1
101.02454	30.6
111.04523	3.9
113.02461	29.2
115.00404	5.3
118.68748	2.7
119.03514	22.0
121.02988	4.9
123.08138	3.7
126.09823	3.1
138.06894	10.5
151.07690	10.1
152.08398	4.0
153.09238	61.1
161.04585	12.2
161.97653	3.6
164.04808	4.5
165.09227	10.1
173.04544	6.7
179.05748	6.6
179.07143	17.9
191.05618	18.4
203.10710	5.0
206.09599	5.4
221.11772	18.2
228.54897	3.7
239.05702	5.6
239.12953	11.2
267.18149	3.8
285.19287	5.8
286.01126	2.9
294.17709	3.2
302.85782	3.2
341.10880	9.5
357.21301	5.1
365.18024	5.0
401.10626	5.8
401.15610	16.2
401.20456	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08968	4.9
59.01387	100.0
61.18479	5.0
62.24746	5.2
69.47069	33.3
71.01389	21.1
85.02962	5.3
101.02418	9.3
104.72738	4.4
113.02468	5.7
142.35655	4.6
161.04613	7.5
163.00102	5.4
196.63908	4.6
240.85637	5.6
331.48434	5.1
345.79858	4.7
390.93964	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	403.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03452	18.9
59.01383	16.3
60.66340	1.0
61.98838	54.7
67.01913	1.5
68.71655	1.3
69.67793	4.9
69.68199	2.3
71.01391	14.6
72.99310	4.7
73.02942	2.2
75.00877	2.3
78.92068	1.3
83.01394	9.7
84.02165	2.7
85.02959	100.0
86.03320	3.1
87.00858	1.7
89.02453	9.5
90.82015	1.4
95.01388	2.7
96.96008	3.6
98.95611	2.7
99.00896	1.5
101.02451	10.2
105.43318	1.4
109.02951	2.9
111.00169	2.3
111.00884	27.0
113.02454	3.7
119.03492	5.5
121.02971	9.8
123.00897	8.9
127.00417	2.4
127.70368	1.2
129.01955	44.1
136.98851	2.1
137.02426	2.5
138.03288	6.8
139.00357	5.8
153.05566	7.4
161.04533	3.9
164.04858	2.2
165.01962	7.5
167.03488	2.7
180.04276	3.5
182.02194	1.7
187.02477	2.3
193.01428	11.9
197.04572	11.3
205.03581	26.1
206.03925	1.8
208.03775	21.3
223.04471	15.3
223.06136	53.1
224.06491	3.6
226.41090	1.3
241.07207	3.5
303.94440	1.3
309.83835	1.2
318.46921	1.4
403.12512	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	403.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
57.03455	15.8
59.01384	17.6
61.98838	85.2
67.01900	1.9
69.32681	9.2
71.01392	14.4
72.99323	2.4
73.02946	4.5
74.02479	2.8
75.00874	4.4
83.01392	8.8
84.02165	2.8
85.02960	100.0
86.03305	1.5
87.00845	1.4
89.02448	9.6
90.48965	1.2
93.03509	1.5
96.96016	8.5
96.96977	2.3
99.89396	1.1
101.02441	11.0
104.03556	1.7
111.00886	23.7
113.02448	3.6
115.08816	5.3
119.03476	2.8
121.02963	6.9
123.00864	1.9
129.01947	32.2
137.02414	2.6
139.76923	1.4
153.05571	4.5
155.11945	1.3
161.04549	4.3
166.21986	1.1
173.04591	2.7
182.02228	1.5
187.02437	1.5
187.11049	1.1
191.05641	5.4
197.04565	9.5
205.03558	17.9
205.12325	1.5
214.76860	1.3
223.04485	20.6
223.06160	2.6
343.19760	2.0
373.20923	2.6
403.16019	6.0
403.22040	5.6
404.15948	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	403.1039
Annotation	Conyzatin
Peak:m/z	Relative Intensity
57.03452	1.8
59.01386	3.0
61.98841	1.5
66.43349	0.5
67.01891	0.9
71.01412	1.5
73.02944	2.7
74.78514	0.5
81.03479	0.7
85.02952	1.0
89.02489	0.6
91.05553	0.6
93.03474	4.2
96.96017	0.6
98.68376	0.5
99.04543	1.2
101.02428	0.8
102.02683	0.5
103.05548	0.7
108.02187	0.9
109.02975	1.5
111.04510	0.6
119.05040	0.7
121.02966	1.5
123.04567	0.7
124.01694	0.7
129.09232	0.8
131.05020	3.1
133.02982	0.6
135.04526	1.3
136.01675	30.5
137.02087	1.1
145.02965	1.1
146.03748	7.8
147.04539	10.5
148.05324	100.0
149.05643	4.8
150.03249	0.9
151.04024	33.3
152.04308	1.7
153.03787	0.7
158.03764	0.8
159.04510	0.7
161.02501	0.7
161.06094	3.3
162.03201	2.5
162.06845	1.3
163.04001	1.1
163.07652	1.2
165.05615	0.6
169.12347	0.7
173.04581	13.8
173.06053	0.8
174.03223	0.6
174.04997	0.5
176.04863	0.9
177.05547	1.4
187.07678	1.4
191.05499	1.3
192.04288	2.1
197.06137	1.5
207.06645	16.9
208.06973	1.1
213.09251	0.6
218.02205	10.1
229.14464	8.0
231.10231	1.9
233.04575	15.8
234.04892	1.9
267.06619	1.8
275.09192	2.1
282.08945	0.9
297.11398	4.0
299.09192	1.0
359.11459	3.8
403.10339	76.9
403.23312	2.2
404.10690	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	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40903	1.1
57.03452	14.4
59.01386	8.7
61.98838	2.8
69.25817	2.9
69.26236	8.1
71.01402	3.2
73.02953	4.9
75.33096	1.3
80.05070	1.8
84.81563	1.3
89.02452	1.4
99.04546	6.5
101.02436	4.5
104.05066	1.7
108.04588	2.1
122.06125	9.2
123.04517	3.9
125.02419	2.8
130.03018	2.7
131.03813	1.2
132.04576	21.3
142.69844	1.3
146.02429	1.7
147.03238	3.8
148.04053	2.4
148.05324	1.3
150.05603	3.8
158.02550	7.3
160.04028	11.0
161.04572	1.2
162.05600	3.0
176.03580	7.4
176.07147	4.0
183.09364	1.5
184.07722	3.0
187.07622	5.3
190.05106	17.1
191.05559	3.8
197.08612	1.3
198.09189	1.6
199.08737	2.4
204.03003	1.7
209.07173	2.5
209.10988	1.3
211.08661	2.2
211.12428	5.0
212.05785	2.9
212.10768	3.5
213.06572	2.8
215.11867	4.1
220.02422	1.4
221.01611	1.4
223.08720	4.1
224.07295	2.4
224.09465	14.0
225.08063	2.6
225.09952	1.8
226.07530	5.6
227.08295	7.9
228.08702	2.0
231.10236	2.0
234.04074	1.7
235.04945	1.8
238.09018	1.3
239.04607	1.9
239.08273	2.9
239.11897	27.1
240.10510	6.9
240.12355	2.4
241.09756	10.2
250.07582	2.1
252.05328	2.2
253.06181	25.9
253.09052	1.7
253.09949	1.8
254.06725	3.4
255.07745	4.7
255.11365	6.9
256.08456	2.5
265.09799	3.1
267.07709	8.9
268.08527	9.3
275.09357	2.2
281.09406	9.6
283.10895	75.2
284.11188	7.6
287.10263	1.6
309.08829	24.2
310.09015	1.8
315.13626	2.1
327.09885	84.6
328.10114	9.1
341.11334	3.9
353.07825	3.5
359.12320	2.5
371.08844	100.0
372.09155	10.8
403.11487	37.5
404.11700	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63145	1.4
57.26412	1.1
59.01388	9.5
61.98835	26.3
70.15559	3.8
71.01370	2.6
73.02901	1.4
80.05059	2.7
85.02959	3.3
87.00856	1.7
89.02433	2.1
91.35228	1.1
93.03452	1.5
95.01464	1.3
95.04967	1.4
96.96004	2.6
99.00941	1.3
101.02429	2.6
104.05052	1.6
108.02214	1.1
108.04531	1.7
113.02451	1.5
116.05071	1.2
120.99649	1.9
122.06137	9.0
122.36079	1.1
124.07667	1.8
130.02963	4.5
131.03831	1.7
132.04562	19.6
133.02988	6.6
134.03737	4.5
135.04553	3.2
137.02448	3.3
137.09700	1.4
146.02440	2.4
146.06129	1.3
147.03278	3.2
148.04042	1.6
150.05582	3.1
155.10681	2.7
158.02478	12.2
160.04025	10.8
161.02452	2.3
161.04744	2.1
162.05618	4.9
167.03513	2.0
172.05247	1.6
173.04565	2.7
174.03271	1.6
174.06883	2.1
175.07629	1.3
176.03534	13.0
176.07149	3.2
177.02066	1.7
178.02733	7.3
183.09224	2.3
184.07672	2.1
187.07597	2.7
190.05092	21.8
191.05647	6.8
192.06560	2.1
196.11235	2.1
198.04210	2.4
199.09741	2.4
209.07230	3.8
211.08882	1.4
211.12286	3.9
212.05765	2.7
212.10735	3.6
213.06941	2.8
213.09175	7.3
215.07076	3.8
215.11853	5.3
220.02449	2.9
223.04790	2.7
223.08691	6.2
224.07355	2.1
224.09529	16.5
225.06453	2.2
226.07416	3.2
227.08272	6.0
231.10262	6.6
234.04024	4.1
237.10085	1.5
238.08801	2.1
239.04611	1.6
239.08206	3.7
239.11916	36.8
240.10545	8.3
241.09828	12.9
242.10176	1.5
250.07451	1.8
252.05380	3.3
253.06190	32.1
253.08954	2.1
253.09908	1.4
254.06660	4.6
255.07684	3.7
255.11432	6.1
256.08398	1.9
257.08206	2.5
265.09729	3.4
266.07986	1.8
267.07724	8.8
268.08560	13.0
269.08994	1.4
275.09290	9.5
281.09268	8.2
283.10892	78.4
284.11258	9.7
306.07431	13.5
307.07489	1.4
309.08862	18.9
310.08994	2.1
315.13541	2.1
327.09882	100.0
328.10193	11.1
341.11224	3.6
351.93274	1.4
353.07843	2.7
359.12439	5.5
371.08865	72.2
372.09042	9.9
403.11365	59.2
403.23199	3.2
404.11621	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	403.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
58.00604	1.1
59.01386	24.8
61.98837	4.3
65.98058	0.6
67.01889	1.0
69.66818	3.3
71.01392	12.0
72.99303	2.2
79.37981	0.6
83.01388	2.2
85.02957	2.7
87.00842	0.7
89.02456	13.2
95.01411	4.4
101.02451	8.9
109.02988	0.7
111.00897	3.2
113.02470	4.6
119.03503	5.5
121.02970	1.6
123.00896	13.9
127.00373	2.6
133.98027	0.6
136.98785	1.7
137.02452	3.9
138.03264	8.3
139.00398	8.9
149.02513	0.9
149.62686	0.5
151.00385	0.8
151.04050	0.7
152.01131	0.8
152.04836	1.6
153.05591	3.0
154.02719	1.5
164.04845	0.9
165.01938	12.3
166.02530	0.8
167.03548	1.5
179.03493	1.8
180.04305	6.9
193.01447	21.2
194.01828	1.7
195.06668	2.1
196.61148	0.6
207.02974	2.2
208.03787	39.8
209.04131	2.1
210.23247	0.6
223.06137	100.0
224.06499	6.1
241.07137	1.5
403.12375	7.1
404.12793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
59.01387	24.8
61.00396	0.6
61.98834	5.7
69.66855	3.1
71.01397	14.2
72.99273	1.1
83.01407	3.2
85.02959	3.0
85.66813	0.7
89.02452	12.3
95.01389	4.8
99.00895	0.8
101.02454	10.0
108.02191	1.1
109.02958	1.6
111.00892	3.8
112.98833	0.9
113.02477	5.2
119.03532	5.6
121.02959	1.6
123.00908	17.3
126.51851	0.6
127.00389	3.0
136.98849	2.6
137.02455	4.2
138.03246	8.6
139.00394	9.3
139.03781	0.6
141.24205	0.7
151.00415	0.8
152.01193	3.1
152.04781	0.8
153.01968	0.8
153.05574	3.0
154.02708	1.1
165.01935	12.1
167.03490	4.0
179.03526	1.8
180.04259	4.7
193.01447	25.0
195.06650	1.9
207.03029	2.5
208.03790	42.8
209.04204	2.1
215.51579	0.8
223.06139	100.0
224.06491	7.6
232.82411	0.6
320.01898	0.7
350.20734	0.8
403.12125	5.4
403.16815	0.6
404.12979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.4
61.98832	31.3
69.51694	100.0
77.80928	14.8
119.80655	13.9
187.47476	13.3
215.69615	13.0
278.06696	14.0
374.27667	16.3
403.24387	15.4
403.29059	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	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46206	18.6
56.08175	18.3
59.01380	67.3
61.98825	40.3
68.30161	19.2
69.07679	18.1
69.79569	40.8
69.79987	100.0
70.02590	21.5
78.52689	18.5
85.48064	18.1
94.92537	98.2
232.09750	19.8
288.06409	35.5
350.85550	23.7
363.86899	21.6
393.00223	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	70.1
61.98852	51.4
63.66922	24.2
69.92224	100.0
71.70293	19.3
80.26689	18.3
80.36848	18.8
80.79943	21.8
82.03671	17.7
119.05299	22.8
213.76936	24.5
214.53287	22.3
268.17593	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	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55034	26.3
56.22571	26.7
56.84305	27.7
59.01374	86.3
60.00265	26.4
61.98835	100.0
65.88055	29.6
70.03585	71.2
70.03993	81.6
121.58790	28.0
126.79310	27.9
151.76369	32.7
288.41840	33.1
378.13535	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75625	0.2
61.98838	100.0
69.38548	1.9
69.38928	0.6
82.48019	0.3
211.31796	0.3
259.19339	0.3
289.69568	0.3
313.09113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98836	100.0
70.80663	0.9
70.81040	0.9
71.01402	0.4
72.02869	0.4
95.56709	0.4
136.07649	0.5
173.84132	0.4
209.79645	0.4
229.03355	0.4
248.24620	0.4
283.93494	0.4
300.66232	0.5
404.12054	1.3
412.27179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85394	1.1
57.63338	1.1
58.02990	10.1
59.01389	26.9
61.69235	1.1
61.98838	100.0
66.18977	1.1
69.72765	2.5
69.73176	5.1
70.02969	1.4
71.01383	7.4
73.02950	1.9
74.02480	16.4
81.04564	2.1
82.02983	2.3
85.02959	2.5
86.02486	7.0
86.06155	1.7
86.30797	1.2
86.99083	1.9
87.05629	5.6
89.02434	6.8
94.42342	1.3
96.04560	1.2
96.96024	2.1
97.04035	2.9
97.06599	1.2
99.05659	18.1
101.02477	3.2
101.07243	3.1
102.05592	4.3
107.06261	1.3
109.04047	2.1
109.07742	1.4
111.05680	2.0
112.04072	2.4
113.02470	4.1
113.03523	1.2
116.01701	1.3
117.97323	1.5
119.03502	1.5
123.05640	3.4
124.04007	1.9
125.03604	1.7
125.06164	1.6
127.05128	2.6
128.03566	49.9
129.99626	1.3
135.05664	2.7
141.06738	5.4
143.04637	70.8
144.04990	2.4
145.06152	1.7
146.04581	5.3
148.70370	1.5
153.06677	4.5
159.99533	1.5
160.00757	19.3
161.04509	1.7
166.09889	2.1
167.04620	5.6
167.08307	2.2
170.03311	1.6
173.04576	2.0
177.03465	7.4
179.04617	10.6
181.06187	2.3
185.05688	2.6
191.05592	4.5
197.05669	2.9
204.22267	1.2
210.08864	11.9
211.30035	1.4
218.02528	1.4
236.06166	1.3
242.08141	2.1
253.50716	1.5
254.07867	18.2
258.76428	1.2
269.09521	1.9
272.08920	27.0
273.09155	3.0
275.22943	1.2
287.10361	1.4
288.06577	10.0
306.07687	72.4
307.07816	4.9
323.90619	1.3
345.15283	1.3
375.16919	1.2
405.12888	1.5
405.17615	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85172	0.7
55.01888	1.5
57.03453	100.0
58.03793	2.5
59.01384	71.7
60.01722	0.9
61.98843	0.6
68.82971	0.6
70.94691	1.2
70.95022	0.9
71.01388	14.1
73.02962	7.6
81.03468	0.9
83.01397	4.1
85.02968	7.9
85.80360	0.8
89.02470	1.9
93.03525	0.6
95.01385	0.9
99.00919	2.8
99.04529	71.4
100.04889	2.0
101.02452	33.0
102.02836	0.8
105.53107	0.7
107.36864	0.8
113.02464	6.3
125.02464	21.1
126.02813	1.1
129.01981	0.9
143.03586	3.1
159.03072	2.4
161.04559	7.9
178.13240	0.8
191.05624	0.9
201.11436	1.6
222.26526	0.7
231.06752	0.8
261.13437	29.6
262.13861	2.0
276.99924	0.7
303.14554	1.8
314.54517	0.6
343.17709	1.4
402.82507	0.7
405.12723	1.5
405.17795	5.4
405.25043	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.00602	1.0
58.03805	1.6
59.01386	72.3
60.01723	0.7
61.98834	0.5
69.50945	1.7
69.51358	0.7
71.01391	20.3
72.99335	0.8
73.02954	11.3
79.05550	0.6
81.03466	1.9
83.01402	5.2
85.02969	3.3
87.00890	0.7
89.02452	19.8
94.96266	0.4
95.01399	1.3
96.42618	0.4
97.06613	0.9
99.04532	68.9
100.04865	2.3
101.02456	30.2
102.02826	1.2
107.96535	0.4
108.02213	0.7
109.18005	0.4
113.01733	0.7
113.02473	8.1
113.06103	0.9
113.60400	0.4
119.03519	6.7
123.04535	5.1
125.02466	19.8
126.02699	0.6
131.03490	1.2
141.05573	1.5
143.03514	3.3
149.04562	1.3
153.05566	1.1
155.06296	0.4
161.04572	4.3
171.35295	0.5
173.04550	0.7
179.05637	5.2
207.00674	0.4
261.13446	1.9
297.20309	0.4
315.21887	0.5
316.21985	0.5
405.17487	1.5
405.24716	1.8
406.17773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
59.01385	91.7
61.98815	3.6
65.12803	2.9
68.99807	3.0
69.34354	25.4
71.01395	26.9
73.02952	16.6
80.16071	2.8
83.01377	4.3
85.02965	7.2
88.01247	2.9
89.02455	21.5
93.03474	20.9
95.01360	3.1
99.04529	71.2
100.04807	4.3
101.02458	38.7
111.04498	3.2
113.02450	13.1
117.12023	2.6
119.03477	8.0
121.02953	5.8
121.49516	2.7
123.00914	5.0
123.04521	5.3
125.02482	24.9
128.94562	3.5
133.02936	10.6
134.03709	8.1
135.04477	3.0
137.02495	14.8
138.03201	8.7
147.48453	3.0
149.06064	2.9
153.01904	3.3
153.05571	12.6
155.03453	3.4
155.67657	2.9
161.02464	35.2
162.02820	3.5
165.01952	5.8
166.06386	12.6
168.04256	7.7
173.04539	37.1
176.01180	7.1
177.01947	5.1
178.02715	11.2
179.03444	3.2
179.05638	7.3
183.57791	2.8
191.03490	9.3
191.05598	4.4
192.04280	5.8
193.01468	14.5
193.05095	13.6
207.06599	10.1
207.99654	3.7
208.03876	15.7
209.04443	3.7
223.06165	20.4
237.05803	7.7
243.38213	3.0
244.22401	3.5
311.14514	3.3
324.08524	6.6
375.14539	4.9
405.15616	30.2
406.15747	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	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03453	100.0
59.01385	96.6
63.49497	1.4
71.01386	18.2
72.99324	2.3
73.02945	5.0
81.03465	2.1
83.01398	6.4
84.58380	1.5
85.02960	50.7
86.03237	1.6
89.02450	13.6
99.00903	1.8
99.04527	70.6
101.02452	20.0
111.00891	13.0
113.02444	6.9
116.18294	1.5
119.03529	4.1
125.02463	28.4
129.01955	23.6
135.04523	3.5
136.01651	1.6
143.03479	2.7
143.54950	1.6
149.02522	1.9
150.03206	3.1
161.02490	1.8
161.04526	4.2
165.05557	3.1
173.04544	2.7
176.04036	3.3
179.03519	2.1
179.05672	4.2
183.48462	1.7
191.05634	5.8
195.06610	3.0
199.13358	1.6
205.03560	13.9
223.04604	1.7
229.38245	1.7
235.80762	1.5
251.10768	1.8
345.19156	2.7
405.17139	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	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	94.2
69.50082	41.2
69.50484	100.0
75.00878	23.6
94.92532	73.3
98.19946	27.5
101.34593	17.5
299.41837	16.7
367.26932	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	405.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	41.4
61.98813	13.4
69.35529	100.0
69.50140	11.9
100.14753	11.4
137.79669	12.4
170.05040	12.6
181.62674	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	406.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81318	2.0
53.68582	2.0
57.03449	3.5
58.02986	14.3
58.99605	2.7
59.01385	62.0
61.66967	2.1
61.98841	7.9
63.99268	2.7
71.01395	17.2
72.99321	2.6
73.02934	4.1
74.02482	30.5
78.81911	2.3
81.04613	2.2
83.01414	3.7
85.02947	9.4
86.02489	10.4
87.00883	4.1
87.05643	6.7
89.02441	13.3
93.03453	5.6
96.96024	4.7
97.04103	4.7
98.19955	4.7
99.00909	1.9
99.05647	21.2
101.02467	10.1
101.07229	3.4
102.05614	4.8
102.98611	19.1
103.12643	2.3
107.06211	3.1
109.02953	2.4
109.04080	5.5
109.07693	2.3
111.05605	1.8
113.02452	6.8
113.03561	2.9
119.03522	5.2
122.06155	3.5
123.05650	2.5
124.04018	2.2
125.03553	4.5
127.05147	7.2
128.03561	76.9
129.03918	2.9
129.11945	2.0
133.06924	13.4
135.05670	5.8
138.17245	2.2
141.06696	3.5
143.04640	100.0
144.04970	2.8
145.06209	3.4
146.04680	10.7
146.61353	1.8
153.06720	7.4
161.04579	5.6
165.05630	2.3
166.09879	3.5
167.04608	6.9
167.08252	6.0
171.04218	2.6
173.04591	3.3
179.04599	21.6
181.06256	2.7
185.05688	2.7
191.05580	9.7
192.07768	2.1
197.05711	6.5
210.08841	21.4
254.07819	47.2
255.07939	2.1
272.06216	3.9
272.08923	50.1
277.12231	4.5
283.05011	15.1
308.07501	4.6
344.12836	2.2
347.17093	6.0
348.39780	2.0
364.84351	2.5
388.15665	8.5
406.16577	61.1
407.17578	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	406.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.03788	1.7
59.01386	46.8
61.98830	1.1
69.03463	0.9
71.01390	21.2
71.01782	1.1
71.64133	0.7
72.99339	0.9
73.02951	19.9
73.10841	0.6
79.05560	2.1
81.03487	2.3
83.01395	6.0
85.02959	4.9
87.00916	1.6
89.02455	10.3
93.03499	1.8
94.31161	0.8
95.05019	1.1
95.45057	0.7
97.06608	1.9
98.19954	2.1
99.04530	56.2
100.04862	1.5
101.02451	30.8
102.02792	1.0
109.06594	0.9
113.02460	9.4
113.06101	4.0
113.56795	0.9
115.13622	0.7
119.03529	2.9
123.04537	17.9
123.05389	1.1
124.04856	1.1
125.02459	16.0
131.03535	2.4
133.03099	0.7
135.04546	1.1
141.05614	3.2
143.03552	2.2
147.04509	1.1
149.04561	1.1
153.05608	2.0
155.03520	1.4
161.04555	8.8
164.07216	3.0
165.01962	1.9
171.10310	7.0
173.04596	2.6
179.03624	1.3
179.05647	1.1
180.04338	1.2
180.15315	0.7
191.05667	3.2
192.05989	0.7
195.06700	1.7
201.11467	0.8
205.08557	0.7
222.12578	1.0
225.07774	1.5
229.02045	0.9
253.09473	1.1
282.07416	0.8
317.10504	1.4
406.12329	0.8
406.19882	2.8
406.25513	1.9
407.13666	0.9
407.26538	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	407.0776
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
59.01386	13.7
61.98841	1.3
63.31237	1.1
71.54675	1.7
72.23911	1.2
72.90493	0.9
74.88049	1.0
83.56927	1.0
95.01396	2.1
99.04485	1.6
106.77154	1.2
107.01421	1.6
113.88224	1.0
122.98335	1.1
123.00886	10.4
135.04529	1.6
137.02505	1.2
151.00351	3.0
171.10266	4.0
191.05545	1.5
216.04297	1.8
227.03488	1.8
255.03049	17.3
256.03766	34.3
257.04102	3.7
283.02478	18.1
284.03281	100.0
285.03967	34.3
286.04211	1.6
309.04150	2.1
335.05585	1.8
353.05875	1.4
362.12891	1.2
363.04141	2.1
375.05142	3.0
387.90466	1.4
392.05453	11.2
393.05658	1.7
407.07745	98.5
408.08176	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	407.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95188	0.3
51.08226	0.3
51.42025	0.4
55.01881	0.8
57.03457	0.6
59.01383	4.2
63.14531	0.3
71.01386	0.9
73.02945	0.5
80.05066	22.3
81.05409	0.7
85.02958	0.4
92.05078	0.4
93.03478	0.4
94.02991	0.7
96.96023	1.0
97.06605	1.1
101.02448	0.7
103.26208	0.3
103.50862	0.3
107.03790	2.5
108.84430	0.3
112.07708	2.2
112.18787	0.3
114.05585	1.1
115.79381	0.3
118.06648	1.0
120.04565	0.7
121.05354	0.4
124.04045	0.5
133.02939	0.4
136.07692	100.0
137.02602	0.4
137.08035	4.9
138.09230	2.0
147.29767	0.3
148.07695	1.6
161.02426	0.6
173.04587	1.6
176.07114	0.6
180.06650	0.5
185.11859	0.7
187.07657	0.6
189.30589	0.3
191.05638	2.2
204.10304	1.5
209.11832	0.4
220.06255	0.5
229.08315	0.4
248.09363	0.7
275.17657	16.2
276.18039	1.8
292.08212	0.4
300.78366	0.4
301.15652	2.8
319.16656	8.9
320.16882	1.4
345.14539	1.4
363.15637	1.3
407.14542	1.9
407.19305	0.9
407.26740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03456	48.2
58.00610	0.9
58.03755	0.8
59.01386	100.0
61.98838	2.5
70.99165	1.8
71.01017	1.2
71.01391	18.6
72.99325	1.5
73.02966	4.4
81.03481	1.4
83.01414	1.9
85.02974	5.9
87.00892	2.2
89.02456	18.4
90.05749	0.8
93.57025	0.8
95.01375	1.2
96.96021	1.0
97.70193	0.8
99.00895	0.9
99.04530	44.4
100.04883	1.2
101.02452	22.1
113.02467	9.4
114.02814	0.9
119.03543	9.0
119.05035	13.5
120.05407	1.2
121.02965	2.3
123.60072	0.8
125.02468	14.4
127.15674	0.8
129.05507	1.0
143.03494	2.7
151.03986	1.0
158.06114	1.0
161.04594	6.5
163.04021	3.2
170.39616	0.8
173.04495	1.0
175.02545	4.1
179.05659	3.2
185.02214	29.2
186.02565	1.7
191.05637	3.5
205.88765	0.8
245.10133	0.9
263.11371	13.0
264.11743	1.3
300.15753	0.9
305.12479	1.9
346.01880	0.9
347.07135	2.6
347.17017	2.7
407.15350	1.5
408.32327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48899	0.9
57.03456	55.1
58.00605	1.2
58.03788	1.5
59.01387	100.0
60.01718	1.6
61.98841	2.1
69.95976	4.1
71.01389	17.8
72.99325	1.7
73.02950	3.7
83.01402	3.1
85.02959	6.8
86.03310	1.1
87.00884	1.6
89.02451	14.5
93.03480	1.0
95.01379	1.2
99.00878	2.0
99.04530	48.1
100.04819	1.2
101.02455	23.0
102.02759	0.9
105.84547	1.1
113.02467	8.5
115.00394	1.8
116.05046	1.4
117.03485	1.6
119.03577	7.6
119.05037	17.0
121.02970	3.3
123.04495	1.2
125.02460	15.0
134.03735	1.7
143.03487	2.3
161.04572	6.5
163.03979	4.5
173.04602	1.1
175.02539	3.0
179.05632	4.0
185.02211	36.6
186.02538	2.8
191.05627	3.3
214.24524	1.3
254.86534	1.0
263.11368	13.2
299.05359	1.4
316.74216	0.9
347.07407	2.0
347.17136	1.9
407.15015	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	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03455	100.0
58.03786	1.9
59.01385	74.0
60.01731	0.9
64.28746	0.7
71.01384	12.0
73.02953	7.0
78.95934	0.7
81.03461	0.9
83.01395	3.7
85.02952	7.8
89.02473	0.7
89.24805	0.7
95.01432	0.8
96.26736	0.5
96.97008	0.6
97.63825	0.6
99.00903	2.5
99.04531	68.7
100.04843	2.9
101.02451	30.3
113.02448	4.0
125.02467	17.1
126.02801	0.7
143.03531	2.3
161.04562	4.7
250.06581	0.6
263.15005	27.5
264.15317	1.9
305.16229	1.3
345.19180	1.2
407.19263	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00575	0.6
55.01853	0.7
55.15518	0.7
56.41842	0.7
57.03454	23.4
58.00607	1.1
59.01385	100.0
60.01711	1.4
61.98843	1.2
69.87527	2.6
71.01390	15.6
72.99321	1.9
73.02953	3.0
74.02479	1.0
74.70420	0.8
79.01796	0.7
81.03467	0.8
83.01399	1.3
85.02488	1.0
85.02952	5.8
87.00896	2.4
89.02456	21.2
93.03500	1.0
99.00864	1.1
99.04533	19.5
100.04887	0.7
101.02451	16.9
113.02473	8.7
115.00356	1.0
116.05090	1.2
117.03519	1.3
119.03531	7.9
119.05033	12.8
121.02997	2.1
123.04534	1.6
125.02464	6.4
143.03523	2.3
149.02467	0.7
149.04677	1.0
159.03130	1.0
161.04568	5.8
163.04054	3.8
175.02574	1.7
179.05630	5.9
183.29980	0.7
185.02214	24.0
186.02563	1.8
186.78537	0.8
191.05698	2.8
245.55635	0.7
263.11432	4.6
347.06796	1.5
347.17273	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	407.2207
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01395	0.5
68.70548	0.4
70.67712	1.1
78.95913	100.0
96.96976	9.3
138.08485	0.5
140.58809	0.4
146.07445	0.4
150.98022	1.3
152.99603	80.1
153.99913	1.1
171.00658	62.5
171.85629	0.4
172.01065	0.6
199.64546	0.4
274.30539	0.5
325.18469	1.0
407.22006	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	408.0432
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
57.03444	0.6
59.01383	6.0
63.96251	1.0
64.97015	0.8
69.66669	3.5
71.01395	4.2
71.54132	0.5
74.99103	49.3
79.95747	13.0
80.96519	3.5
84.60542	0.5
85.02940	2.5
87.00921	1.1
89.02452	1.4
93.03468	0.6
95.95242	51.0
96.96022	100.0
99.04589	0.6
101.02442	1.5
102.98615	1.9
113.02454	1.0
113.48024	0.6
119.03493	1.1
119.05059	0.8
127.92402	0.6
129.05515	0.9
132.06699	1.0
138.97055	0.9
142.11871	0.5
150.03253	0.9
165.05577	1.6
166.03311	2.5
170.19897	0.6
173.04570	0.7
191.05602	4.2
195.03348	1.9
212.00146	1.1
214.98438	0.6
259.01321	3.2
274.98999	1.3
283.04889	0.7
290.95856	0.5
360.46777	0.6
361.12573	0.5
390.16531	0.6
408.04309	44.0
408.15067	2.7
409.04651	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01112	0.4
59.01386	6.6
60.99282	0.3
61.98864	0.4
62.92696	0.3
64.41293	0.3
67.01881	0.9
68.99310	0.3
69.03436	0.5
70.40916	0.9
71.01390	2.3
73.02952	0.7
73.34945	0.3
81.03499	0.4
83.05031	0.4
85.02954	9.1
86.03355	0.3
87.00884	3.0
87.57970	0.3
88.30493	0.3
89.02457	0.7
93.03471	5.3
94.03799	0.5
96.96013	1.4
98.20538	0.4
99.00864	0.4
99.04518	0.5
99.92599	0.7
101.02443	1.0
109.02941	1.0
111.00887	0.3
111.04525	1.2
111.82789	0.3
113.02469	0.6
115.92077	0.6
116.92883	2.7
119.03535	0.4
124.01692	0.3
127.04033	2.6
134.03633	1.0
135.04568	0.4
137.02469	0.5
145.06604	0.4
145.07698	0.6
146.03575	0.3
155.03581	0.3
155.05048	1.0
159.04565	0.3
160.01698	0.3
161.02475	1.6
165.01947	0.7
170.28667	0.3
171.03026	0.6
171.10248	0.4
172.05275	0.7
173.04549	3.1
173.06091	5.3
174.03246	0.7
174.04941	0.4
174.06477	0.6
175.03925	0.7
176.04402	0.4
178.16740	0.3
191.05626	100.0
192.04303	0.7
192.05969	4.2
217.05086	4.9
218.05527	0.4
235.06151	0.6
287.11591	0.7
305.12665	0.6
349.11636	1.9
349.18481	0.5
409.11551	2.3
410.12021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55929	1.0
55.01883	5.7
57.03455	6.8
58.00596	4.1
59.01386	88.9
60.01707	1.2
61.98822	3.5
67.01906	1.2
69.03474	1.7
70.90437	2.4
71.01389	100.0
72.01725	2.5
72.99316	6.1
73.02954	22.7
73.94006	1.0
75.00863	1.9
83.01398	12.1
85.02959	34.2
85.03476	1.8
86.03306	1.5
87.00882	5.9
89.02452	71.1
93.03445	2.4
95.01423	5.2
97.02943	2.1
99.00900	9.0
99.04519	2.1
101.02452	74.3
102.02818	1.4
111.00862	1.4
113.02463	43.5
117.01909	1.2
119.03516	31.0
120.03830	1.1
125.02472	5.6
131.03494	7.3
135.04503	1.0
138.94223	1.0
143.03513	9.8
144.03883	1.0
149.04549	2.5
159.03018	4.7
161.02518	2.1
161.04568	31.4
161.05911	2.2
173.04526	2.1
179.05623	40.7
180.05946	2.0
191.05621	12.7
217.01422	2.3
221.06635	12.8
247.11786	4.9
310.76996	1.1
315.70218	1.0
409.13266	1.2
409.17242	20.4
410.17670	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	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68699	1.1
55.01895	1.1
56.30822	0.9
57.03441	2.2
58.00589	1.3
59.01386	100.0
60.38625	1.0
61.98838	5.0
67.01897	1.3
71.01386	19.1
71.53944	1.5
72.99315	2.5
73.02950	3.8
75.00873	1.6
83.01392	3.3
85.02964	11.9
85.39668	1.0
85.61654	1.0
87.00868	4.3
88.57736	0.9
89.01937	1.6
89.02454	18.2
93.03466	7.7
95.01393	2.3
96.96008	3.6
99.00867	2.4
99.04501	1.5
101.02453	16.2
101.06081	3.7
109.02970	1.0
111.04533	1.4
113.02450	10.8
116.92904	2.2
119.03532	6.3
120.23055	1.1
125.02419	1.8
127.03947	0.9
131.03462	1.2
135.02924	1.0
135.04486	1.4
137.02464	1.7
142.48370	0.9
143.03493	2.7
159.02992	1.1
161.02481	2.3
161.04572	8.3
173.04558	7.2
174.03244	1.4
179.05646	7.0
191.05646	35.2
191.07378	2.1
192.05977	3.4
205.11713	1.1
245.30200	1.1
249.05899	1.6
305.16125	17.9
306.16351	1.1
331.17569	2.9
349.18582	6.5
351.12930	4.6
400.10916	1.9
400.61069	1.7
409.25101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2363
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
62.38338	0.3
65.83743	0.3
67.64120	0.3
70.27341	0.6
70.27724	0.9
78.95910	72.5
81.88541	0.3
96.96983	5.3
150.98012	1.7
152.99597	100.0
153.99922	1.9
171.00645	2.1
255.23267	2.3
272.61722	0.4
276.11078	0.3
409.23590	14.9
410.23843	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	410.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58086	1.3
59.01387	33.3
60.01703	1.4
61.98837	100.0
71.01379	8.5
71.53791	2.7
73.02943	4.5
73.22832	1.3
79.38634	1.3
85.02956	4.4
86.39907	1.3
87.00867	1.4
89.02454	3.8
93.03461	5.8
96.95992	1.5
101.02445	6.0
113.02452	2.9
118.87518	1.2
119.03472	1.5
121.15022	1.6
133.02960	1.6
135.04535	3.7
137.02502	1.7
145.52811	1.3
146.37589	1.3
161.02469	3.7
161.04587	3.2
166.40237	1.4
173.04558	4.2
179.03578	2.9
191.05617	22.5
192.05994	3.2
283.88498	1.3
350.19000	2.3
397.36169	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	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	7.6
55.42118	1.2
56.11448	1.2
57.03453	5.9
58.00596	2.9
59.01386	62.9
61.98824	3.6
67.01900	2.7
69.03458	2.5
69.17329	5.9
69.17762	6.1
71.01389	100.0
72.01699	1.6
72.99304	2.6
73.02950	32.1
78.95911	1.5
83.01395	17.1
85.02961	53.8
87.00876	7.3
89.02455	21.2
93.03465	7.1
95.01402	9.0
96.96027	3.7
97.02946	4.9
99.00889	15.2
101.02457	91.5
101.06081	1.4
102.02779	2.9
108.02141	2.1
111.00932	2.2
113.02455	43.4
115.99625	1.2
117.03486	1.5
119.03517	6.2
119.05018	2.4
125.02463	4.3
127.04047	1.7
128.03540	1.4
129.01952	3.1
135.04585	6.2
143.03479	5.4
145.02963	10.7
146.03296	1.3
152.01178	3.2
159.03055	8.4
161.02422	5.3
161.04572	41.7
162.04961	2.0
163.03973	2.7
167.03537	7.3
173.04552	4.7
173.05946	1.2
176.04042	1.5
179.03476	5.8
179.05672	2.4
191.05623	24.8
192.05919	2.8
205.03564	1.9
228.46742	1.4
245.06383	1.4
249.05923	1.8
249.13445	61.2
250.13875	2.9
307.08231	5.8
330.08496	4.9
353.08731	1.8
411.14053	2.2
411.18747	54.1
412.19098	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	411.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	8.8
55.52042	0.8
57.03446	5.9
58.00593	2.4
59.01384	60.3
61.98842	4.4
69.03448	2.3
71.01389	100.0
72.99289	2.9
73.02954	34.9
75.00877	2.2
78.95924	2.7
79.95747	1.3
81.03463	1.5
83.01399	16.1
85.02960	44.3
86.03255	1.1
87.00872	5.6
89.02458	17.4
90.98591	1.3
91.63428	1.1
93.03462	3.6
95.01389	6.5
96.96074	2.1
97.02969	3.1
98.20691	2.2
99.00893	11.1
100.33612	0.9
101.02454	93.1
102.02782	2.6
111.00867	2.3
111.04498	1.1
113.02461	42.4
119.03520	7.8
119.05054	1.9
120.58159	1.1
125.02473	3.7
129.01978	1.5
131.03539	1.0
135.04539	2.0
143.03532	4.9
145.02960	3.8
158.42139	1.1
159.02965	9.8
161.02585	6.4
161.04570	41.4
162.04768	1.1
173.04597	3.9
179.03458	2.2
179.05585	2.9
191.05656	9.2
205.03493	1.8
249.05856	2.7
249.13455	63.0
250.13809	3.9
286.82492	1.0
289.00024	0.9
307.08331	1.3
351.13058	1.2
386.90005	1.0
411.13986	2.5
411.18732	48.0
412.19077	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	411.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03441	0.6
58.00599	1.0
59.01386	100.0
60.01724	1.0
60.27370	0.4
63.98285	0.4
69.03479	0.9
69.23831	0.9
69.24237	3.5
71.01390	23.7
72.01772	0.6
73.02953	23.5
79.99823	0.4
81.03503	0.7
83.01397	5.5
85.02958	4.6
87.00920	0.6
89.02457	9.5
93.03497	1.2
95.01402	1.3
96.96020	1.0
97.02971	0.8
97.49907	0.5
101.02457	22.7
102.02856	0.5
111.83723	0.5
113.02457	9.9
119.03539	2.3
121.06615	0.6
125.02508	1.1
131.03545	2.0
133.02977	0.7
137.09732	6.9
137.32480	0.5
138.23909	0.5
143.03571	1.3
149.04602	1.1
155.03566	1.0
161.02489	1.9
161.04544	3.5
173.04546	3.1
189.12842	1.2
191.05684	1.0
213.71300	0.4
309.20557	0.6
320.04578	0.5
335.07806	0.6
344.42911	0.5
404.72382	0.5
412.17639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35954	1.4
57.03455	6.5
59.01387	100.0
59.25135	1.5
60.01681	1.5
67.01900	1.7
69.03471	2.0
71.01391	13.4
71.54634	2.3
73.02956	2.2
79.95741	1.3
80.35165	1.8
81.03481	1.9
85.02970	4.0
87.00932	1.9
89.02470	1.9
93.03474	6.1
95.01403	2.9
95.95230	1.8
96.96022	3.7
101.02442	3.6
108.02179	26.6
109.02966	19.8
113.02457	2.9
118.96530	1.4
121.03013	1.4
125.09064	1.4
132.96233	1.4
134.03725	2.7
135.04562	5.7
137.02473	3.1
152.01184	23.5
153.02039	11.2
161.02434	6.7
161.04558	2.2
171.10213	1.7
173.04549	12.2
176.04031	5.2
178.02708	2.0
179.03549	6.1
184.84467	1.6
191.05640	8.7
207.13931	23.1
208.14204	1.6
218.78964	1.6
219.08220	3.7
232.05334	14.2
233.05809	1.7
247.07712	12.4
248.08440	64.4
249.08852	5.7
269.07086	2.1
315.07248	5.2
327.22183	1.5
329.13867	2.0
331.05353	3.3
331.14709	3.2
335.07867	3.8
390.20520	1.6
411.13681	28.6
412.13943	4.3
433.44293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08287	0.5
57.03449	2.8
59.01385	100.0
60.01728	1.8
61.98840	1.1
64.92261	0.3
69.19670	2.7
69.20076	0.8
71.01391	11.7
73.02954	2.6
75.08438	0.4
81.03452	0.4
83.01399	1.0
83.05045	0.5
85.02968	3.8
87.00928	0.6
89.02447	3.2
93.03488	1.3
94.35916	0.4
95.01399	0.9
96.96035	1.4
98.95621	1.0
99.00903	0.6
99.04539	1.4
101.02441	5.2
111.04538	0.5
113.01715	0.8
113.02463	7.9
113.03176	0.7
119.03549	1.2
131.03529	0.5
133.03006	1.0
133.37921	0.4
134.03787	1.5
135.04520	1.0
137.09785	1.4
143.03503	0.5
149.06128	0.4
160.01787	0.4
161.02495	1.1
161.04549	1.9
173.04572	1.8
176.04028	0.4
179.03564	1.0
189.12885	0.9
191.05705	2.2
192.06021	0.5
193.05119	0.5
223.04124	0.4
267.08640	0.6
309.09940	1.1
331.14816	1.4
335.07996	0.6
341.85742	0.4
349.13239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.8
57.04502	1.0
59.01387	100.0
60.01720	2.0
61.22193	0.8
66.43829	0.8
67.01871	0.9
70.32150	0.9
71.01385	8.1
71.54765	1.5
73.02950	1.8
83.01414	1.2
85.02952	2.1
93.03481	4.4
96.96014	2.9
97.02924	1.4
101.02442	3.1
108.02184	4.7
109.02961	4.1
109.06631	2.0
111.04514	1.4
113.02458	1.7
125.02469	1.4
133.02959	1.8
134.03717	1.0
135.04532	3.9
137.02463	1.9
137.09738	2.0
152.01173	3.4
161.02480	4.2
161.04538	1.0
162.39360	0.8
169.42519	0.9
171.34314	0.8
172.79233	1.0
173.04561	5.4
176.04048	4.1
179.03523	3.1
191.05672	5.4
192.11554	3.6
203.05563	1.1
207.13928	22.8
208.14250	1.6
209.73615	0.9
225.78889	0.9
225.93011	0.8
248.08427	2.7
269.07239	1.0
315.07129	1.1
327.21802	1.2
329.14139	1.4
330.14078	1.6
331.14713	3.1
335.07806	1.7
339.04422	1.2
345.79358	0.9
354.51468	0.9
411.13174	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	411.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
59.01393	8.2
61.98839	7.3
71.54738	2.4
80.69292	1.4
80.91685	5.9
83.05063	1.4
84.02172	1.8
90.01579	1.4
93.03483	1.6
96.96042	2.3
99.08159	6.2
99.92607	2.4
103.67430	1.4
125.09766	2.2
127.11295	2.1
134.03717	2.0
139.11264	6.3
141.09242	1.7
145.02948	1.7
161.02420	1.7
163.11331	2.2
165.12886	20.5
171.10300	11.0
173.04494	2.1
179.03455	1.5
183.13899	3.0
193.08485	21.2
205.12044	2.7
207.09926	2.1
211.13417	23.3
219.10133	2.6
221.11636	11.3
223.11969	2.3
225.13426	1.6
229.14499	9.1
231.10161	7.4
233.11615	100.0
234.11992	8.1
249.11320	13.0
251.11469	20.6
251.12500	16.5
252.11491	2.9
294.05408	2.2
329.23358	51.5
330.23553	5.0
338.93268	1.5
351.21530	75.3
352.21841	8.7
354.80051	1.4
395.20673	1.6
411.11026	5.7
411.22507	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.38738	1.2
65.14929	1.2
66.13425	1.1
67.12643	1.2
70.98843	1.2
231.20117	1.3
265.77115	1.7
272.10501	1.6
282.66794	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	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97734	1.8
59.01384	100.0
100.13013	2.1
182.87709	1.9
262.80984	2.2
284.90967	2.2
321.37622	2.2
321.97849	2.2
331.73181	2.2
355.00894	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	412.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	12.2
59.01387	8.4
61.98837	100.0
67.01882	1.3
69.19440	8.7
69.19843	1.6
71.01388	2.9
78.95908	1.2
84.46580	0.9
85.02958	2.7
87.00892	3.2
89.02445	1.9
93.03470	5.9
96.96004	2.4
98.19948	1.9
99.00855	1.2
99.04532	4.6
101.02450	3.8
111.04451	1.1
125.02390	1.5
133.02968	7.1
135.04520	5.9
137.02451	1.4
139.00383	1.1
141.63763	1.0
153.01964	3.8
154.02763	1.4
161.02493	6.9
162.02968	1.4
163.04025	1.2
165.05560	1.3
167.03502	2.0
168.04248	2.1
169.05031	3.9
173.04544	7.7
173.05946	1.6
176.03960	5.1
177.01962	1.5
179.03467	3.8
191.05643	23.3
191.07362	1.2
192.05995	1.8
198.35228	1.0
215.05475	1.3
218.10439	2.7
226.65930	1.0
229.90712	0.9
251.05760	2.1
294.08865	1.5
306.81851	1.0
307.08203	1.7
351.07245	2.0
353.08920	2.7
413.05823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1245
Annotation	yahyaxanthone
Peak:m/z	Relative Intensity
54.87497	0.7
57.29627	0.7
59.01378	2.4
69.24591	6.7
71.82333	0.7
96.96017	1.0
107.01411	1.1
117.03487	2.1
119.05043	5.6
133.02979	1.9
134.03764	7.8
145.02975	3.7
151.00385	1.0
160.01653	1.7
161.06010	0.8
163.04010	4.8
183.04530	1.0
191.05615	0.9
193.05023	3.9
227.03499	0.8
250.33258	0.8
255.03008	100.0
256.03384	9.2
283.02490	33.6
284.03113	7.5
306.35138	0.8
323.05563	1.0
325.46472	0.8
374.56207	0.8
381.09827	50.8
382.10144	7.9
413.12439	90.7
414.12814	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	413.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	1.2
69.23459	7.0
72.20708	0.7
89.03979	1.2
105.03462	1.2
117.03474	12.8
119.05034	41.1
120.05369	2.4
121.02963	2.1
123.04525	0.8
132.02167	3.5
133.03003	5.2
134.03749	46.7
135.04480	2.5
137.02394	1.1
145.02966	19.5
145.06621	0.9
147.04462	1.1
149.06108	6.0
160.01675	8.5
160.05319	0.9
161.02498	3.8
161.06111	0.9
163.04018	37.1
164.04375	2.6
175.04012	8.9
177.05557	10.0
178.02750	0.7
179.03584	1.1
188.30241	0.7
193.05070	41.8
194.05386	2.7
219.06578	5.5
235.06145	6.8
237.07727	2.2
249.07719	4.6
252.06456	1.0
267.08694	2.0
398.10080	2.0
413.12439	100.0
414.12820	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	413.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86158	0.7
59.01391	1.3
69.03466	2.9
71.01408	0.8
71.01740	1.4
71.87991	0.6
81.45975	0.6
83.01421	0.6
89.04012	1.8
93.03471	1.5
103.36310	0.6
105.03474	1.6
113.02451	0.8
117.02660	1.4
117.03482	25.3
119.05038	74.2
120.05355	3.1
121.02974	4.8
123.04545	0.9
131.05029	0.6
132.02194	4.9
132.05812	0.9
133.02983	13.3
134.03755	99.9
135.04465	4.7
136.01717	0.7
137.02467	2.6
139.03928	0.7
145.02963	38.7
145.06638	1.0
146.03313	1.8
147.04553	1.6
148.05309	1.3
149.06082	10.3
159.04468	0.7
160.01671	22.5
161.02512	4.7
161.06070	1.5
163.04018	62.3
164.04407	3.1
175.04015	14.2
177.01913	2.2
177.05580	15.3
178.02711	2.3
179.03491	1.7
193.05067	63.5
194.05421	2.8
200.65831	0.6
207.84015	0.6
219.06633	7.4
219.72314	0.7
234.05353	2.2
235.06105	7.0
236.06580	0.9
237.07764	2.5
249.07660	5.7
252.06447	2.1
267.08759	2.7
298.86707	0.7
398.10144	2.9
413.12430	100.0
414.12769	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	413.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49901	0.4
59.01386	100.0
60.01718	1.1
70.34287	0.5
71.01388	2.6
73.02943	0.6
83.01396	0.5
85.02948	1.1
89.02457	1.2
93.03457	2.7
98.19849	0.8
100.43787	0.5
101.02457	1.5
105.03463	0.5
107.01412	0.7
113.02467	1.5
117.03489	0.8
119.05042	2.9
120.99619	1.1
123.59604	0.5
124.32440	0.5
124.37226	0.4
125.02497	0.9
133.02942	3.4
134.03752	2.9
135.04529	1.5
137.02451	3.2
145.02969	2.1
148.05281	1.1
151.00389	2.0
161.02489	3.0
161.04565	0.5
163.04019	1.8
169.01402	0.6
173.04555	2.9
175.04015	0.6
176.04007	0.6
178.02730	0.7
179.03542	1.3
191.05650	1.5
193.05020	2.3
197.06064	0.8
225.05525	1.9
226.06369	78.9
227.06706	6.7
229.04053	0.6
235.06001	0.5
241.08720	63.9
242.09029	6.0
255.02875	0.8
269.34698	0.5
272.09665	0.6
284.03284	1.4
285.03952	0.8
321.04001	0.9
332.06073	1.5
332.56113	0.6
413.07843	1.1
413.13104	3.5
414.12115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90100	0.6
55.01886	1.6
57.03455	100.0
58.03789	2.0
59.01386	80.0
60.01724	1.3
69.51991	3.7
71.01389	18.0
73.02957	6.9
81.03490	1.1
83.01374	4.2
85.02956	8.9
88.52529	0.7
89.02440	1.1
95.01405	1.3
97.02994	0.7
99.00907	2.7
99.04530	72.0
100.04875	1.9
101.02451	31.1
113.02470	7.1
125.02473	22.1
126.02877	0.8
143.03586	2.2
150.63550	0.7
159.03033	1.7
160.48911	0.6
161.04584	7.8
165.00261	1.4
166.99731	1.1
178.52657	0.6
206.11516	0.7
238.83682	0.6
238.94206	0.6
269.10336	21.2
270.10809	1.9
307.79434	0.6
311.11493	1.4
331.02869	0.9
333.03036	0.9
413.14511	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	413.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
57.03455	37.6
58.03784	0.8
59.01384	16.8
59.42587	0.3
60.94951	0.4
61.11486	0.4
63.02397	0.4
65.00331	0.6
69.23926	2.0
69.24352	1.6
70.35750	0.3
71.01385	6.0
73.02954	2.2
81.03471	0.6
83.01427	1.8
85.02953	2.3
87.00887	0.8
89.02439	0.4
93.03462	1.4
97.02982	0.5
99.00865	0.6
99.04530	27.1
100.04847	0.5
101.02458	10.2
102.98595	1.1
107.05040	100.0
108.05379	3.9
109.65085	0.4
111.04622	0.6
113.02447	2.3
120.91817	0.3
120.99655	1.0
123.04511	1.2
125.01530	0.8
125.02458	15.5
126.02778	0.6
128.03558	0.6
133.02946	0.5
135.04529	0.7
137.02426	0.7
142.52895	0.3
143.03513	1.1
151.00398	1.3
161.02466	0.9
161.04558	5.2
161.05998	0.6
167.03529	1.2
173.02402	0.7
173.04594	1.5
175.04146	0.5
176.04066	0.6
177.05615	0.8
179.03490	0.6
189.05562	0.5
191.05670	2.3
199.03957	0.5
203.05632	1.1
208.01968	0.4
213.12405	0.4
215.03531	0.6
222.06956	0.6
223.04358	0.9
243.08607	0.9
250.06404	1.8
269.10333	1.3
283.04984	0.6
285.04114	0.4
297.04428	0.4
301.49207	0.3
311.11432	1.3
341.06766	2.6
351.05017	0.6
351.14154	0.5
413.05688	0.5
413.13150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10306	0.2
59.01392	1.5
63.70108	0.2
69.02527	0.2
69.35224	2.0
71.01388	0.7
79.01095	0.2
85.02966	0.2
89.02462	0.3
93.03465	1.0
98.19872	0.5
101.02420	0.4
105.03467	0.7
109.02973	0.3
111.04491	0.3
112.31489	0.2
115.32711	0.2
117.03449	0.2
119.05016	0.5
125.02416	0.4
132.02161	0.3
133.02971	4.5
134.03723	0.6
135.04521	1.1
137.02454	0.7
149.02478	0.2
151.00415	0.5
155.03491	0.4
161.02463	1.9
162.02844	0.4
163.03983	0.3
173.04616	1.5
175.03903	0.3
175.07579	0.2
177.01881	1.0
179.03528	1.1
183.64462	0.2
191.05627	0.4
193.04976	0.3
222.10416	0.3
226.06374	8.2
227.03647	0.3
227.06746	0.8
234.06870	12.8
235.07576	2.0
241.08717	6.0
241.11046	0.4
242.09064	0.5
248.08437	2.1
249.09221	13.6
250.09995	100.0
251.10370	10.3
253.07225	0.5
255.02968	0.4
284.03238	0.4
285.04102	0.5
293.12048	0.4
296.63602	0.2
311.22198	0.2
329.23343	0.3
331.64984	0.7
332.06152	0.8
332.15479	0.9
332.56509	0.3
332.65601	0.3
335.07852	0.8
413.16089	31.3
414.11426	0.3
414.16455	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	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01385	100.0
60.01730	1.2
65.00331	0.7
67.01906	0.7
71.01392	4.7
71.53848	0.5
73.02971	1.0
83.01424	0.8
85.02967	1.8
87.00906	0.7
89.02464	0.9
93.03460	3.5
96.96018	0.6
97.71406	0.3
99.00934	0.5
101.02440	2.5
107.01424	1.0
109.02965	0.6
111.04557	0.5
112.78174	0.3
113.02473	1.2
117.03507	1.1
119.03560	0.8
119.05040	3.6
120.99679	1.4
121.02998	0.7
123.04615	0.5
125.02468	1.6
129.59085	0.3
133.02972	4.2
134.03751	4.1
135.04581	2.2
137.02510	2.2
145.02943	1.7
148.05380	0.7
149.06110	0.5
151.00432	2.0
155.03529	0.8
160.01672	1.0
161.02466	5.8
161.04614	0.6
162.02870	0.6
163.04015	2.7
165.01944	0.4
165.12875	0.5
171.10262	0.4
173.04555	7.8
174.04904	0.6
175.04065	1.2
177.05591	0.7
178.02684	0.8
179.03546	1.7
191.05594	1.7
193.05077	2.4
201.02071	0.5
211.13411	0.6
229.14581	1.5
235.06154	0.6
237.05623	0.6
245.00964	0.4
249.09177	0.9
250.10039	7.3
251.10580	0.6
251.13916	0.5
253.07211	1.1
255.02885	1.7
256.03882	0.7
268.03796	3.0
269.04510	1.2
275.03024	0.3
281.06638	0.5
283.02597	1.0
284.03299	3.2
285.04016	3.9
286.04681	0.4
293.04712	1.4
321.04126	1.3
326.25699	0.4
329.23468	0.9
331.55725	0.5
332.06238	2.8
332.15692	0.8
332.56448	1.3
333.00494	0.4
335.07745	1.9
351.08270	0.4
369.10052	0.8
379.08145	0.5
395.11530	1.8
413.08734	3.6
413.13394	3.2
413.17310	1.3
413.68121	0.6
414.12833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01385	100.0
65.00327	1.1
70.99318	1.4
71.01389	6.4
73.02955	2.4
85.02972	2.3
87.00872	0.6
89.02463	2.1
93.03492	2.0
95.01393	0.8
101.02476	3.7
105.17080	0.8
113.02486	2.7
117.03482	0.8
125.02460	1.3
128.41296	0.7
133.02974	3.4
135.04593	3.4
137.02481	1.6
137.09758	1.9
138.47063	0.7
139.11290	3.6
145.02989	1.3
151.00410	1.9
161.02477	4.8
161.04591	3.2
173.04573	3.5
176.04001	0.8
178.02684	0.9
179.03519	3.5
191.05676	2.0
193.86696	0.7
209.15477	4.3
211.13478	1.7
255.03058	1.5
269.04871	0.8
329.23416	4.2
332.15604	8.4
332.65808	2.4
335.07672	4.1
371.20853	2.1
381.10016	2.4
413.12473	8.8
414.12637	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.9
59.01385	100.0
63.85275	0.9
65.00326	1.0
69.03471	1.3
69.21111	7.3
69.21526	1.9
70.54417	0.8
70.55884	0.8
71.01389	29.4
72.99358	0.8
73.02953	43.4
73.03367	2.1
79.74627	0.8
83.01405	10.0
85.02974	4.5
87.00881	0.9
89.02464	5.1
93.03482	1.7
95.01397	1.1
97.02869	1.0
97.19569	0.8
101.02454	39.0
102.02792	1.4
109.02978	1.0
113.02448	12.4
119.03519	3.1
125.02480	2.4
125.38864	0.9
131.03517	3.9
132.18634	0.9
133.02983	1.3
135.04507	2.4
137.02457	1.6
143.03535	2.7
145.03009	1.2
149.04572	2.7
151.00357	4.9
155.03551	1.9
161.02434	3.0
161.04555	4.3
173.04535	2.4
179.03493	1.9
189.01790	0.9
189.05663	1.4
191.05684	1.8
191.14325	1.3
197.44379	0.8
269.04495	1.8
273.07965	0.9
279.57178	0.8
284.03336	1.0
285.04050	1.1
296.03363	1.7
297.04047	1.3
298.04706	0.9
309.04385	1.1
325.07278	1.5
329.23547	1.4
334.04965	1.0
337.07275	1.4
363.08755	1.4
381.09723	2.7
395.11395	1.2
413.12390	19.5
414.12616	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01386	100.0
60.01720	1.0
69.22240	2.3
71.01389	6.8
71.05036	0.8
72.15353	0.2
72.99329	0.4
73.02959	1.7
83.01408	0.6
85.02975	2.3
89.02459	1.6
93.03463	0.5
95.01409	0.5
99.00902	0.5
101.02453	3.7
107.48733	0.2
111.00945	0.3
113.02466	2.4
114.02825	0.2
119.03549	0.6
125.02421	0.3
133.03017	0.5
137.02425	0.3
137.09746	2.8
138.10127	0.3
139.11307	3.5
143.03534	0.4
151.00417	0.4
159.03014	0.4
161.02493	0.4
161.04565	3.1
168.03711	0.2
173.04663	0.5
191.05658	0.4
191.14507	0.8
198.73885	0.2
203.05672	0.2
209.15498	6.6
210.15939	0.5
269.04495	0.3
281.07080	0.3
284.03308	0.7
285.04099	0.6
332.06287	0.3
353.20032	0.3
353.36072	0.2
371.20734	2.3
371.24414	0.2
395.11383	0.3
413.12601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31615	0.4
59.01386	100.0
60.01721	1.4
71.01392	1.8
73.02972	0.4
85.02977	1.0
89.02474	0.8
93.03491	0.8
98.19852	1.0
101.02442	1.0
108.39124	0.4
113.02472	1.1
119.05170	0.5
120.99681	1.0
124.81744	0.4
133.02972	1.1
134.03772	1.0
134.57030	0.4
137.02440	1.1
161.02446	0.9
163.04042	0.7
173.04626	0.6
179.50111	0.4
191.05634	0.7
225.05717	0.8
226.06358	17.2
227.06718	1.7
241.08730	15.4
242.09126	1.7
332.56485	0.8
350.50540	0.5
413.12781	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40611	0.8
54.97322	0.7
57.03450	4.3
59.01386	100.0
60.01721	0.8
62.96406	0.8
65.15792	0.8
71.01373	4.0
76.15101	0.7
84.09392	0.8
85.02950	1.6
89.02424	1.6
93.03460	1.3
96.96085	0.9
99.04536	3.4
101.02431	2.1
107.05045	10.2
110.05251	0.8
112.14078	0.8
113.02479	1.5
120.99663	2.6
125.02453	1.6
135.04492	0.9
138.50543	0.9
151.49123	0.8
173.04619	1.7
177.05597	1.5
181.83669	0.9
191.05595	1.5
248.08563	0.9
250.09509	1.7
285.04019	0.8
298.04584	0.8
413.15118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14248	1.0
58.01070	0.8
59.01384	100.0
60.01699	1.3
67.32940	0.8
67.44857	0.8
69.39383	5.3
71.01392	2.0
85.02981	0.9
89.30594	0.8
115.19829	1.0
120.99681	1.5
128.48717	0.8
138.09473	0.8
151.02473	0.8
222.64079	1.0
383.23654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.57924	0.8
67.82466	1.0
69.61936	6.1
70.81140	1.0
75.89912	0.9
104.90587	1.0
115.02741	1.1
225.80634	1.1
265.87585	1.0
294.45847	1.1
413.30743	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	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.61922	7.6
69.62337	3.0
75.59277	1.4
79.62917	1.7
97.71670	1.5
113.25425	1.6
127.39060	1.3
134.72861	1.8
134.86363	1.4
236.27025	1.7
302.99036	1.8
413.30682	13.0
413.35721	2.1
414.30933	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	413.3062
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
59.01384	3.6
68.99580	4.1
69.20894	2.6
69.21312	0.8
96.96025	0.5
98.20683	0.7
111.76404	0.3
112.97852	0.5
112.98579	5.1
218.27325	0.4
243.42421	0.3
277.21719	3.3
299.19958	0.6
306.44818	0.4
319.20544	4.5
320.20749	0.4
331.18921	0.4
413.30621	100.0
414.30957	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	414.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12986	1.4
57.03455	84.4
58.03791	2.3
59.01386	100.0
61.98832	7.1
64.80329	1.2
67.33579	1.2
70.24849	3.4
70.25163	1.7
71.01388	22.4
72.99321	6.6
73.02946	10.2
81.03463	1.6
83.01410	4.0
85.02959	12.2
89.02475	2.4
96.96025	6.1
97.03002	1.9
99.00876	4.2
99.04529	82.0
100.04878	2.2
101.02451	33.6
108.02212	1.4
109.02956	3.0
113.02464	11.5
124.70129	1.3
125.02459	37.8
143.03529	2.9
159.02998	1.5
161.04576	16.8
270.09848	20.9
312.10858	4.8
336.09119	1.4
414.05774	1.7
414.14258	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	415.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40874	0.8
57.03455	58.0
58.03789	1.1
59.01105	0.7
59.01386	17.6
61.39589	0.8
69.03491	1.1
70.90414	2.0
71.01387	13.5
72.99320	1.3
73.02957	3.5
81.03487	2.3
83.01408	1.4
85.02960	12.8
85.62554	1.0
93.03438	1.5
95.01411	8.2
99.00902	1.6
99.04531	46.8
100.04884	1.1
101.02455	16.1
108.02188	41.0
108.02928	2.2
109.02969	100.0
109.49133	0.9
110.03314	3.6
113.02464	4.3
123.00883	5.8
123.04541	1.0
125.02464	22.7
126.31380	0.9
126.33355	0.9
133.78896	1.1
134.03781	1.5
135.04521	5.1
143.03497	2.4
151.04030	3.6
159.02930	1.1
161.02440	4.0
161.04573	10.1
179.03499	1.6
191.05629	4.3
193.05074	3.3
203.05649	2.8
228.84587	0.9
243.08745	1.6
253.07204	16.6
271.08252	5.3
313.09268	2.8
353.12415	1.4
383.05984	1.0
415.12659	3.2
433.22482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01384	100.0
60.01708	1.9
62.68970	1.5
69.03439	1.6
71.01381	4.6
72.99311	2.4
73.02956	2.9
76.57323	1.6
85.02966	2.3
89.02462	2.1
91.01928	3.1
93.03465	6.6
94.90997	1.5
96.96022	2.4
101.02474	2.6
108.02177	2.1
113.02478	2.3
121.02930	5.5
125.02477	2.0
128.57719	1.7
135.04555	2.2
137.02464	2.6
143.86752	1.8
151.04018	59.5
152.04358	2.7
158.03746	3.1
161.02470	2.7
173.04576	8.0
173.05873	1.8
176.03967	2.0
179.03464	1.7
191.05630	18.7
213.01239	1.7
237.05731	1.9
238.06374	3.3
239.07043	2.2
253.07291	1.8
265.04990	2.4
266.05893	8.9
267.06729	8.5
281.08209	15.6
282.08917	8.5
297.11353	2.4
325.07095	2.4
326.07941	6.3
335.12445	4.3
341.10321	20.8
400.11462	6.2
415.13934	23.1
416.14343	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01384	100.0
60.01708	1.9
62.68970	1.5
69.03439	1.6
71.01381	4.6
72.99311	2.4
73.02956	2.9
76.57323	1.6
85.02966	2.3
89.02462	2.1
91.01928	3.1
93.03465	6.6
94.90997	1.5
96.96022	2.4
101.02474	2.6
108.02177	2.1
113.02478	2.3
121.02930	5.5
125.02477	2.0
128.57719	1.7
135.04555	2.2
137.02464	2.6
143.86752	1.8
151.04018	59.5
152.04358	2.7
158.03746	3.1
161.02470	2.7
173.04576	8.0
173.05873	1.8
176.03967	2.0
179.03464	1.7
191.05630	18.7
213.01239	1.7
237.05731	1.9
238.06374	3.3
239.07043	2.2
253.07291	1.8
265.04990	2.4
266.05893	8.9
267.06729	8.5
281.08209	15.6
282.08917	8.5
297.11353	2.4
325.07095	2.4
326.07941	6.3
335.12445	4.3
341.10321	20.8
400.11462	6.2
415.13934	23.1
416.14343	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48046	1.0
55.01878	2.3
57.03439	2.4
58.00596	3.9
59.01385	100.0
60.01723	1.4
61.82143	1.0
69.03464	3.1
71.01389	77.1
72.01718	1.8
72.99315	6.8
73.02954	9.2
75.00891	1.7
81.03468	1.8
83.01395	5.1
85.02956	17.9
87.00886	12.3
89.02452	84.7
90.02799	1.2
91.04037	1.5
95.01392	4.1
96.96086	1.0
97.02974	7.8
99.00883	4.5
99.04494	1.4
101.02452	59.3
102.02805	1.4
103.00415	1.0
111.00876	2.5
113.02459	23.5
114.02847	1.4
119.03515	27.3
125.02462	14.2
131.03510	2.8
143.03513	10.7
149.04538	2.9
161.04544	11.3
179.05620	26.0
185.04666	2.4
221.06650	5.8
235.08257	13.3
236.08647	1.2
253.09305	7.3
263.07767	5.0
287.07727	1.5
305.08762	2.5
323.09799	1.4
327.20029	2.0
415.14609	97.5
416.15039	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	415.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61003	0.2
56.57557	0.2
59.01385	100.0
60.01723	1.4
60.95132	0.2
60.99312	0.2
65.00354	0.1
67.02843	0.2
70.11085	0.8
71.01401	0.7
71.76669	0.1
73.02948	0.5
77.60715	0.2
83.01407	0.2
85.02989	0.2
89.02467	0.4
93.03468	0.2
100.78926	0.2
101.02487	0.6
113.02502	0.4
116.79862	0.2
119.05065	0.3
125.02495	0.3
127.07678	0.3
133.02951	0.2
135.04504	0.4
149.04485	0.2
151.00380	0.2
159.06958	0.4
161.02487	0.6
169.17567	0.2
173.04581	0.3
179.03571	0.3
188.10770	0.8
191.05617	0.4
201.20633	0.2
247.11165	0.2
253.07277	0.3
327.20816	0.2
353.07123	0.2
383.11288	0.2
415.13132	0.7
432.72845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1979
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.52279	0.7
55.01877	2.4
57.03443	2.1
58.00584	1.6
59.01386	68.4
60.01718	1.0
67.10575	0.8
69.03442	1.0
71.01387	25.3
72.99315	2.3
73.02953	8.3
83.01407	7.1
85.02967	13.3
86.00111	2.1
87.00883	2.5
89.02458	7.4
91.46936	0.8
93.03463	2.3
95.01421	2.4
96.58611	0.9
96.96030	3.3
97.02985	1.6
99.00897	3.3
99.04547	1.3
101.02450	23.5
113.02460	8.7
117.82390	0.7
119.03535	2.7
125.02467	1.9
129.01941	0.8
133.02994	1.7
135.04585	5.3
137.02400	1.0
143.03455	1.1
161.02457	5.6
161.04562	1.9
173.04639	2.1
176.04037	1.9
179.03477	1.6
187.07626	1.1
189.50682	0.7
191.05688	3.0
211.13434	5.1
245.76331	0.8
253.07216	1.6
285.04199	0.9
303.52679	0.8
329.19772	2.7
335.07782	0.8
355.17633	11.0
355.24701	1.5
356.18060	1.1
371.15240	1.1
373.18741	30.0
374.19113	4.4
415.10599	2.8
415.19754	100.0
416.20142	12.8
416.26358	1.5
427.43100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
75.96988	1.7
78.95902	7.0
84.07706	1.6
96.91669	1.8
98.19870	3.7
125.02287	1.8
151.12730	1.7
152.99599	22.4
163.11255	7.1
170.08391	1.8
279.23331	100.0
280.23584	10.5
339.23059	3.2
415.22351	5.8
415.31998	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	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
69.40767	4.7
71.01396	0.9
74.99105	6.5
77.00674	73.8
77.80594	0.6
78.00999	1.2
94.72061	0.7
98.20602	1.4
112.00346	0.7
147.08188	2.4
149.09741	1.4
163.11357	2.1
187.11302	1.7
192.07849	0.6
279.13992	1.0
280.14697	1.6
300.42676	0.6
303.88000	0.7
309.22281	2.8
322.19363	1.2
337.21759	100.0
338.22079	13.9
415.23126	11.0
416.23499	2.0
435.00854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96250	3.0
59.01387	100.0
64.29997	2.4
64.39788	2.3
71.37433	4.4
99.29167	2.4
125.07751	2.3
214.62233	2.7
279.23373	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	415.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
81.06726	6.2
93.43263	6.4
95.52335	6.4
112.66153	6.3
176.24843	7.5
229.41528	6.8
253.21754	6.9
336.07501	7.0
415.32233	70.1
416.32495	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	417.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90714	0.3
53.77232	0.3
57.03445	0.3
58.00610	0.3
59.01387	9.0
64.86059	0.3
69.45690	1.8
71.01387	4.5
73.02970	1.2
78.08248	0.2
82.07676	0.3
83.01402	0.6
85.02962	1.4
87.00901	0.4
89.02456	5.8
93.03479	0.6
94.65702	0.3
95.01414	0.5
100.44742	0.3
101.02460	3.1
113.02457	2.1
119.03527	2.4
131.03499	0.3
136.01680	0.3
143.03481	0.6
161.02449	0.3
161.04639	0.5
167.26331	0.3
173.04579	0.5
179.03606	0.3
179.05632	1.5
188.54774	0.3
191.05634	1.6
192.05791	0.3
195.14056	0.4
221.06068	0.6
222.06871	100.0
223.04976	0.2
223.07198	9.2
236.08423	3.3
237.09213	45.9
238.09550	5.0
285.03961	0.3
343.21191	0.3
346.26144	0.5
357.19193	0.8
375.20242	1.2
408.18771	0.3
417.15518	8.5
417.21222	2.5
418.15897	1.6
418.21072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05383	1.9
59.01386	100.0
61.98822	2.3
67.01880	2.0
69.40178	14.6
71.01405	11.4
73.02946	5.7
75.00909	3.2
83.05029	2.1
85.02951	8.8
87.00887	3.3
89.02455	5.2
93.03476	12.3
96.96045	3.8
101.02440	6.1
113.02462	6.0
137.02412	3.0
161.02414	3.4
173.04535	11.3
179.03534	3.2
180.08858	2.0
188.46500	2.2
191.05646	20.0
192.06036	2.9
217.08817	3.4
243.12372	2.8
260.44614	2.4
284.03308	5.7
285.04062	5.3
289.07193	2.7
359.14780	2.4
417.17041	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.67077	2.8
69.38374	10.2
69.38795	8.0
71.01391	13.1
73.02976	7.7
75.00941	2.9
85.02962	5.1
89.02444	6.4
93.03455	7.2
96.96027	3.3
101.02465	5.8
103.85736	2.7
111.04554	3.0
112.98588	4.2
113.02471	5.0
120.11011	2.5
130.79080	2.6
137.44037	3.0
158.84425	2.8
173.04602	9.3
179.03568	2.9
191.05560	18.8
261.07806	2.9
284.03381	3.5
285.03998	4.9
289.07159	4.0
358.76135	3.0
417.08197	7.3
417.16681	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	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97483	0.6
55.01844	0.6
57.03449	2.1
58.00618	0.9
59.01386	100.0
60.01712	0.6
61.98835	2.0
71.01387	29.4
71.53573	0.8
72.99314	2.0
73.02961	5.4
75.00877	3.9
81.03452	0.7
83.01418	2.0
85.02959	12.4
87.00893	2.3
89.02453	28.5
93.03473	2.7
95.01416	1.8
96.96044	1.9
99.00896	1.5
101.02456	17.3
109.10450	0.7
111.00922	1.0
111.04505	0.7
113.02461	13.5
119.03513	13.3
125.02480	1.5
127.04095	1.0
129.01926	1.2
131.03557	1.3
135.04535	1.5
143.03543	3.7
147.76947	0.7
149.04544	0.9
159.03056	2.2
161.04565	18.7
166.02702	1.0
173.04604	2.5
173.05916	0.7
176.04068	1.3
177.09236	4.7
179.03514	0.8
179.04004	0.7
179.05641	6.9
181.05122	1.6
191.05627	9.3
192.06023	1.0
195.10376	1.8
201.05560	0.7
205.03513	0.8
243.12447	0.8
244.75075	0.9
291.70502	0.7
301.61020	0.7
357.15558	24.5
358.16122	2.3
417.17194	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	417.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.1
57.03456	9.7
59.01389	100.0
61.98837	5.9
62.98905	1.2
63.22680	1.1
67.01894	1.5
71.01391	65.3
71.93304	1.4
72.99315	3.2
73.02959	18.7
73.04093	1.3
74.99099	1.5
75.00898	11.3
79.28252	1.2
83.01397	6.4
83.05024	1.9
85.02959	27.1
86.03291	1.6
87.00890	4.4
87.72095	1.2
89.02460	9.8
93.03465	5.5
95.01405	4.1
96.96027	8.6
97.06592	1.7
99.00881	7.6
99.04535	5.1
101.02457	33.4
111.04520	11.3
111.08183	4.9
113.02467	22.7
118.98122	1.3
119.03529	2.2
121.02966	3.0
125.02422	2.6
130.08749	2.4
135.04514	2.0
136.01723	1.4
139.07671	30.1
140.08046	1.4
143.03520	3.3
147.53940	1.4
159.02997	7.7
161.04573	65.0
162.04919	2.8
165.01491	1.5
173.04597	5.8
191.05623	21.7
192.05995	1.5
193.12360	2.7
195.10268	6.3
205.03539	2.9
211.13266	1.3
222.06985	1.8
235.06015	1.6
237.09209	2.0
237.11392	4.1
297.11319	1.8
298.76877	1.2
339.08701	2.1
357.15564	19.3
358.15891	2.1
367.88925	1.3
369.13409	2.9
373.21088	1.5
410.99890	1.4
417.12347	2.8
417.17661	12.4
418.17978	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	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79688	1.3
52.15403	1.3
55.01886	3.9
57.03441	3.2
59.01385	100.0
67.01893	1.6
71.01389	51.6
71.53611	1.9
72.99329	1.7
73.02951	14.4
75.00881	4.3
83.01385	7.4
84.42741	1.3
85.02959	26.5
87.00903	3.4
88.98819	1.6
89.02445	8.1
93.03468	8.2
95.01395	3.1
96.96032	3.1
99.00890	5.3
100.99303	1.4
101.02449	31.6
111.00838	1.4
113.02461	23.0
119.03550	2.1
127.04096	2.1
129.02003	2.0
135.04549	3.3
136.01659	7.8
139.00354	2.5
143.03506	3.6
151.04025	8.8
159.03030	5.5
159.04333	1.3
161.04572	65.7
165.09198	15.2
166.02718	2.3
173.04539	5.0
173.06017	2.0
179.05670	1.3
179.07144	5.3
181.05055	4.0
191.03770	2.0
191.05621	26.5
203.03369	1.6
205.03627	1.6
217.68465	1.4
223.04094	1.3
235.06218	1.8
237.11371	5.0
243.12083	2.3
293.94949	1.5
357.15509	34.6
358.15918	4.7
399.10718	5.6
417.11884	6.5
417.17371	4.1
418.12320	1.9
433.86389	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03442	2.5
59.01387	100.0
60.01717	1.5
61.98837	4.5
71.01390	21.8
71.54153	1.0
73.02955	8.2
75.00880	3.0
83.01389	2.5
83.05000	0.8
85.02958	9.9
87.00887	2.1
89.02463	2.2
93.03474	5.9
95.01408	2.3
96.96013	1.9
99.00890	3.2
99.04523	0.9
101.02460	14.6
102.02776	0.8
109.02969	8.2
110.03303	2.7
111.04538	1.8
113.02467	9.0
117.97313	2.4
118.98064	1.5
125.02502	1.1
125.60419	0.9
128.03569	1.2
135.04486	1.4
135.30258	0.9
135.98376	1.0
136.01648	1.3
137.02489	1.2
139.11301	11.0
143.03523	1.0
151.03996	1.6
155.03447	1.3
159.01813	0.9
159.03008	3.2
161.02478	1.6
161.04573	28.5
162.04898	1.3
165.09244	4.6
166.02713	1.7
171.10298	1.3
173.04562	8.6
179.03510	1.1
181.05055	2.3
181.12340	4.3
183.10291	10.1
191.05635	9.2
192.05986	1.4
199.13403	2.0
203.03500	1.5
225.11339	2.9
243.12393	28.5
244.12727	2.0
292.23785	1.0
341.52493	0.9
357.15576	13.1
358.15802	1.6
382.14331	1.0
399.10672	1.2
417.12479	1.7
417.17593	15.2
418.17679	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	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53031	11.6
59.01387	100.0
59.38021	12.3
65.91046	10.8
71.53638	14.6
92.87149	13.0
96.96036	17.2
129.37729	12.3
133.27647	12.6
141.00983	11.2
154.14809	12.6
155.51228	11.6
173.32738	14.3
255.02991	26.2
298.80865	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	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24165	0.5
59.01385	100.0
60.01718	1.8
68.46313	0.5
71.01381	0.8
77.64980	0.5
86.29503	0.5
99.04252	0.7
121.02921	0.6
135.04532	0.6
148.06528	0.5
160.14221	0.6
166.54518	0.6
173.04695	1.2
191.05829	0.9
234.61368	0.5
381.10229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.41737	2.4
98.19875	5.1
98.20556	9.1
101.60493	2.5
417.21295	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	418.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67943	0.5
54.24953	0.5
57.03455	0.8
59.01384	4.4
70.72030	1.3
71.01388	1.2
73.02932	0.7
84.47556	0.5
85.02951	1.1
89.78783	0.6
92.05069	33.7
93.03471	43.5
93.05389	1.5
94.03789	0.9
96.96012	1.7
101.02464	0.8
117.03465	0.5
118.02989	5.6
133.02913	1.1
134.03824	0.7
135.04515	1.1
136.04059	29.1
137.02437	2.0
137.04416	1.2
147.06372	0.5
151.00378	0.5
161.02515	2.6
162.01962	2.0
169.06526	0.7
173.04578	2.9
174.69655	0.5
182.49744	0.5
191.05637	11.6
194.06100	1.6
202.74451	0.5
210.05635	0.8
212.07191	100.0
213.07523	8.6
213.09377	1.1
216.36684	0.6
238.05119	7.6
256.06183	62.3
257.06421	5.0
309.98068	0.6
418.11465	34.6
419.11810	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	418.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03459	0.9
58.00602	0.9
59.01389	19.7
63.17927	0.7
67.01886	1.9
69.03470	0.9
70.39438	2.3
71.01392	15.8
72.99328	1.2
73.02946	1.3
75.00883	2.4
80.05054	0.8
82.02985	1.7
83.01374	2.7
84.04549	1.3
85.02956	14.0
87.00886	1.7
89.02444	5.5
89.70335	0.7
94.02971	0.8
95.01414	0.8
96.04546	5.2
96.96020	2.6
98.06106	5.5
99.00906	1.1
99.04496	1.1
101.02458	13.0
108.04585	2.0
110.02509	1.0
110.06161	1.5
113.02473	3.6
116.43299	0.7
119.03515	3.1
120.04656	0.7
122.06110	2.5
123.00902	0.7
124.07708	1.1
126.05638	3.5
127.04044	2.7
128.03571	3.5
129.01959	24.7
130.02238	0.8
134.06180	1.0
135.06870	2.1
138.05624	0.8
147.03049	1.5
148.07697	1.4
150.09262	17.6
161.02449	1.0
166.08737	1.5
167.04556	0.8
167.05876	3.3
176.07191	4.2
191.05617	1.0
194.08238	8.6
212.09341	1.1
220.06082	1.6
238.07210	13.2
239.07411	1.0
240.15201	0.8
256.08307	6.2
374.14697	2.8
418.13571	100.0
419.13968	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	419.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
59.01380	14.3
69.64595	9.4
69.65001	3.1
71.01396	7.2
72.99326	12.1
75.00841	3.4
83.67921	2.1
85.02963	4.9
87.00887	4.5
89.02451	4.4
93.03481	3.3
96.96016	8.3
99.00928	3.6
99.04515	3.7
107.05046	2.1
109.04154	2.1
111.00861	6.3
112.98828	38.0
113.02427	4.9
113.99624	17.0
128.01205	3.7
129.01961	4.9
133.02933	6.1
135.04524	5.1
136.04019	2.8
137.00703	2.1
137.02531	2.1
141.99077	6.6
142.99881	4.2
150.18858	2.2
151.04045	2.6
161.02458	24.1
165.00169	4.8
167.01755	13.8
172.00131	21.4
173.04562	6.3
176.04828	12.2
179.03477	23.4
179.07153	2.6
191.05592	7.9
191.07208	5.6
192.99660	5.5
194.04204	3.3
194.05862	42.1
195.06184	3.9
208.99120	3.1
209.08197	71.8
210.08603	5.4
220.64336	2.1
241.00113	5.2
257.05740	3.5
257.55640	2.6
279.08716	11.8
323.07721	100.0
324.08105	10.2
325.05527	3.1
339.05307	5.2
339.10834	8.3
353.08871	8.8
378.15268	2.8
383.09830	40.9
384.10184	5.3
419.01047	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	419.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94629	1.1
59.01385	6.3
81.39066	1.1
85.93509	1.2
93.03488	1.6
99.37675	1.4
115.13848	1.2
116.54911	1.3
117.03472	14.5
119.05043	77.5
119.68916	1.2
120.05390	4.6
121.02911	1.9
125.60427	1.3
125.97844	1.4
145.02965	41.5
145.06552	1.5
146.03279	1.5
153.17760	1.2
163.04028	78.0
164.04335	3.8
173.04575	1.7
191.05548	1.9
219.06625	6.4
237.07692	4.7
250.78294	1.3
383.11389	100.0
384.11758	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1102
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
54.47656	0.5
57.99269	0.7
59.01386	13.4
64.38313	0.7
71.01380	1.2
71.54215	1.0
71.54597	0.9
73.02937	1.0
74.99108	1.5
75.00898	0.8
85.02931	1.8
87.00865	0.9
89.02434	1.2
92.05070	1.9
93.03481	1.7
96.96020	1.1
98.00108	3.1
100.78144	0.6
101.02469	1.3
104.05091	0.7
106.19931	0.6
107.35206	0.6
108.04539	0.7
113.02451	1.0
120.04569	4.7
122.06152	3.6
124.15826	0.7
132.04570	1.9
133.01665	1.1
134.03714	1.8
135.04532	0.7
136.01671	0.9
136.99106	0.9
137.02437	1.1
146.02437	0.8
146.82573	0.7
147.03287	11.8
147.04451	0.8
147.05573	0.7
148.04091	7.6
150.05617	2.4
159.05638	0.7
161.01195	0.8
161.02428	1.9
164.03586	1.1
165.01945	3.0
172.11261	1.5
173.04539	1.7
174.03215	2.7
175.02747	4.0
175.07584	1.0
176.03528	9.0
177.03874	1.0
178.02739	0.9
178.05040	0.7
179.03488	1.5
179.05870	1.9
180.04305	1.5
181.07680	1.5
182.08052	0.7
184.06416	1.4
185.06067	1.0
187.05104	0.7
187.08824	1.1
191.05643	5.3
192.05956	0.8
193.05107	1.2
195.06676	1.8
198.07985	0.8
199.05118	1.0
199.08777	3.9
200.04721	0.9
203.07202	4.4
203.10841	1.2
206.04572	2.1
207.05397	1.2
210.05658	1.2
210.07788	1.1
211.04965	0.8
211.08751	1.8
212.05997	1.0
212.10918	0.9
213.06754	0.7
214.07535	1.1
215.08324	1.2
215.11894	10.4
216.12085	1.2
220.02519	0.8
224.05699	0.7
225.06798	2.7
225.10307	2.5
226.07445	1.9
227.04707	4.1
227.08229	2.3
227.11908	1.6
228.10426	1.2
229.08698	1.3
237.10396	1.1
238.07478	2.3
239.08220	2.5
240.09009	4.8
241.07501	0.9
241.09723	6.3
243.07780	5.7
243.11380	2.6
244.08275	0.9
247.06061	1.5
253.05904	0.7
253.09804	2.7
254.10577	1.0
255.07745	2.3
255.11418	5.1
256.09839	1.0
265.06021	1.3
266.06952	5.8
267.07657	2.0
269.05673	3.5
269.09283	2.0
271.07666	1.3
271.10934	6.4
273.08392	0.8
281.09384	9.4
282.09741	0.7
283.07184	1.8
284.08069	3.1
285.08658	1.3
291.08813	1.3
297.08655	2.0
299.10370	8.7
303.09677	0.8
307.07510	1.1
313.12259	3.6
315.09784	1.3
325.08331	3.1
331.13040	2.3
343.09302	2.8
357.10797	2.7
369.07126	1.4
371.11139	1.2
375.11972	6.0
383.17093	1.3
387.08310	1.4
401.09595	3.5
419.10971	100.0
420.11343	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	419.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	13.4
67.47935	0.7
69.03446	0.6
70.90815	0.9
71.01396	1.5
71.54269	0.8
71.54661	1.0
73.02962	0.9
85.02952	2.4
88.74612	0.7
89.02444	1.1
92.05083	1.6
93.03453	1.8
93.46301	0.7
96.96048	1.2
97.06610	0.8
98.00096	2.0
101.02477	1.6
108.04581	0.8
120.04572	4.9
122.02425	0.7
122.06115	3.9
124.01633	0.7
132.04539	1.8
133.01709	0.9
134.03728	2.0
135.04535	1.1
136.99071	0.9
137.02495	1.7
139.04021	0.8
147.03285	10.8
148.04080	7.9
150.05586	1.8
151.04028	1.0
159.05602	1.0
160.04001	1.8
160.05247	0.7
161.02486	1.0
162.05664	0.8
164.03500	0.9
165.01993	3.3
172.11324	1.0
173.04568	2.5
174.03221	3.5
175.02721	3.8
176.03548	8.5
177.01952	0.8
178.02730	0.9
179.03459	1.6
179.05905	2.0
180.04391	1.5
180.06096	0.7
181.07755	0.8
184.06429	2.1
185.06076	1.0
187.05157	1.5
187.08861	1.1
191.05649	6.7
193.05119	3.6
195.06671	2.4
197.07170	0.9
199.08844	4.0
200.04668	0.8
203.07167	4.8
203.10733	0.9
206.04591	2.4
207.05391	1.9
210.05368	0.6
210.07912	1.9
211.08792	1.3
212.10811	1.7
213.06621	0.8
213.10452	1.6
214.07455	1.0
215.08478	1.6
215.11909	12.4
219.06740	0.7
225.06804	2.5
225.10252	3.4
226.07387	2.1
227.04745	4.4
227.08235	2.9
227.11929	1.5
228.06784	0.9
228.10402	0.9
229.08716	1.2
231.06769	0.9
237.10413	1.8
238.07259	1.9
239.08177	1.9
240.09105	6.1
241.09824	5.8
242.06993	1.3
243.07736	6.2
243.11409	2.5
247.06171	1.4
247.09819	1.6
251.04448	0.8
252.05254	1.0
253.09827	4.1
255.04192	0.9
255.07666	2.1
255.11430	5.6
256.09708	1.1
259.10916	0.8
265.06290	1.3
266.06897	5.6
267.07632	1.1
269.05627	4.5
269.09290	1.3
271.07257	2.3
271.10889	5.3
281.09335	10.6
282.09402	1.1
283.07214	2.7
284.08023	3.2
291.08606	1.1
297.08652	1.8
299.10437	9.5
313.11960	4.7
315.09824	1.5
325.08292	3.5
327.08878	1.1
331.09534	0.8
331.13010	2.9
339.10184	0.9
343.09637	3.7
357.10822	3.4
359.08826	0.9
366.53546	0.8
369.07086	1.6
371.11380	1.5
375.11993	6.3
383.17316	1.5
387.08426	1.4
400.74582	0.7
401.10101	3.0
419.10986	100.0
420.11340	13.9
436.14117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57974	0.2
52.64688	0.2
57.03451	0.5
59.01384	4.3
61.98841	2.7
67.01884	0.6
71.01377	1.6
71.54520	0.3
73.02962	0.7
74.25098	0.2
76.18674	0.2
79.95748	0.2
81.03466	0.3
83.05030	0.6
83.62089	0.3
85.02960	9.9
86.03274	0.3
87.00893	1.8
93.03463	6.6
93.05405	0.2
94.03788	0.4
95.95323	0.2
96.96017	1.1
99.00924	0.4
99.04518	0.5
101.02458	0.5
104.14746	0.2
109.02998	1.2
111.04525	1.5
113.02469	0.6
115.36610	0.2
121.88350	0.2
125.02533	0.3
127.04028	2.4
133.02974	1.7
134.03761	0.3
135.04533	0.9
137.02455	0.8
150.03175	0.2
155.03516	0.6
159.04532	0.4
161.02455	6.8
162.02791	0.4
171.02910	0.5
172.05269	0.4
173.00903	0.2
173.03145	0.4
173.04564	5.5
173.06061	0.3
176.03978	0.6
179.03510	0.9
179.87453	0.3
191.05626	100.0
192.05954	4.3
199.07732	0.4
201.05518	0.4
201.09242	0.9
212.04866	0.6
212.07161	0.8
213.05411	0.4
213.07497	1.1
213.09323	0.3
227.07162	1.0
240.07132	0.2
245.04630	0.9
245.08173	0.8
253.51227	0.2
256.06204	0.5
257.06628	0.7
267.06647	0.4
335.07806	0.4
339.14462	1.2
341.10480	0.5
343.21234	0.5
419.12750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57974	0.2
52.64688	0.2
57.03451	0.5
59.01384	4.3
61.98841	2.7
67.01884	0.6
71.01377	1.6
71.54520	0.3
73.02962	0.7
74.25098	0.2
76.18674	0.2
79.95748	0.2
81.03466	0.3
83.05030	0.6
83.62089	0.3
85.02960	9.9
86.03274	0.3
87.00893	1.8
93.03463	6.6
93.05405	0.2
94.03788	0.4
95.95323	0.2
96.96017	1.1
99.00924	0.4
99.04518	0.5
101.02458	0.5
104.14746	0.2
109.02998	1.2
111.04525	1.5
113.02469	0.6
115.36610	0.2
121.88350	0.2
125.02533	0.3
127.04028	2.4
133.02974	1.7
134.03761	0.3
135.04533	0.9
137.02455	0.8
150.03175	0.2
155.03516	0.6
159.04532	0.4
161.02455	6.8
162.02791	0.4
171.02910	0.5
172.05269	0.4
173.00903	0.2
173.03145	0.4
173.04564	5.5
173.06061	0.3
176.03978	0.6
179.03510	0.9
179.87453	0.3
191.05626	100.0
192.05954	4.3
199.07732	0.4
201.05518	0.4
201.09242	0.9
212.04866	0.6
212.07161	0.8
213.05411	0.4
213.07497	1.1
213.09323	0.3
227.07162	1.0
240.07132	0.2
245.04630	0.9
245.08173	0.8
253.51227	0.2
256.06204	0.5
257.06628	0.7
267.06647	0.4
335.07806	0.4
339.14462	1.2
341.10480	0.5
343.21234	0.5
419.12750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47807	20.7
59.01373	100.0
69.47213	97.8
69.47638	74.6
72.80295	21.6
90.25508	23.0
111.13631	23.1
178.95068	24.8
191.05498	31.7
254.85585	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03447	1.3
58.00600	0.9
59.01387	32.6
61.98831	1.5
69.03452	1.0
71.01390	14.2
72.99317	1.5
73.02952	5.2
75.00903	0.7
77.06207	0.6
80.96474	0.6
83.01409	3.7
85.02963	7.3
87.00895	3.0
89.02436	1.6
93.03476	0.9
95.01398	1.6
96.96053	0.7
97.02971	1.4
98.20766	1.1
99.00867	1.8
101.02458	7.0
111.00896	1.8
112.01722	0.8
113.02455	4.2
124.01639	1.1
125.02443	2.6
135.04518	1.0
136.83681	0.6
143.03513	0.6
146.65627	0.7
162.25276	0.6
169.15953	1.7
173.04451	0.6
179.03558	0.6
191.05606	3.2
197.15448	1.5
215.16522	43.0
216.16927	3.7
227.16484	1.4
228.97215	0.7
229.18095	1.8
231.59430	0.6
257.17606	1.6
307.49695	0.7
359.20798	27.3
359.27927	1.3
360.21115	3.4
377.21826	67.5
378.22134	6.9
419.22891	100.0
420.23251	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	419.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01728	0.7
71.01398	1.0
71.54386	0.7
76.93224	0.7
77.53075	0.5
80.05982	0.6
85.02946	1.2
87.00881	0.6
93.03487	2.1
119.05054	2.1
137.02502	0.6
138.92180	0.5
145.03009	1.7
163.04085	2.2
173.04620	1.1
182.34607	0.6
191.05630	11.5
194.88351	0.6
201.09276	1.1
286.96185	0.6
383.07251	0.6
383.11594	2.5
419.13574	2.3
435.67978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.5
59.01392	10.3
59.01692	0.7
61.98838	100.0
67.92899	0.5
70.91473	1.2
71.01395	3.3
71.54009	0.5
73.02959	1.2
74.79453	0.6
74.99106	0.7
78.64879	0.5
81.03520	0.5
85.02991	2.3
85.57386	0.5
86.91254	0.5
87.00894	1.2
89.02478	1.2
93.03491	2.3
96.96056	0.9
99.04544	2.3
101.02465	2.4
108.02223	3.4
108.76432	0.6
109.02962	22.0
110.03349	0.8
111.04590	0.8
113.02517	0.8
115.92380	0.6
117.78541	0.5
118.42931	0.6
118.98137	1.3
119.03541	0.8
121.02953	0.9
122.02492	6.5
123.00946	0.9
125.02435	1.2
133.02994	1.0
135.04553	3.1
137.06174	0.6
151.03960	0.6
152.01173	3.3
153.01959	15.3
154.02359	0.6
160.04108	1.9
161.02455	2.7
161.04517	0.7
162.02916	0.5
171.06239	0.5
173.04591	1.4
176.04033	0.8
179.03537	1.7
181.05118	1.8
191.05641	12.1
192.06000	0.6
223.06233	1.3
297.06226	0.6
313.28027	0.6
325.09473	0.9
338.58423	0.8
339.08905	1.2
403.11566	0.9
420.09433	12.9
421.09885	2.3
421.20862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39570	0.8
56.10735	0.7
58.02723	0.8
58.02984	10.7
58.47446	0.7
59.01381	3.8
61.98830	3.4
69.81893	3.6
71.01371	1.0
72.00916	5.5
73.04073	6.7
77.76363	0.6
82.06622	1.5
91.05544	4.6
93.03458	3.0
97.04076	1.1
98.02495	3.7
108.08242	1.4
108.82274	0.7
111.04446	1.1
115.05145	5.6
116.03495	0.7
118.06665	0.8
129.10362	14.4
133.02977	1.2
135.04504	1.7
137.02458	1.3
139.08820	0.9
141.10339	1.8
143.93332	0.8
147.04535	18.1
148.04831	1.2
151.08789	2.2
152.07178	8.9
155.08258	1.7
161.02505	2.0
164.07179	43.4
165.07460	1.7
166.57178	0.7
168.11446	14.9
169.09848	1.3
173.04544	2.0
179.03514	1.8
186.12491	36.1
187.12891	1.2
191.05576	3.9
201.11220	0.8
210.12482	19.9
211.10898	3.4
211.12749	1.3
216.13774	1.0
228.13490	2.6
233.16580	10.1
234.16876	1.1
259.14618	0.8
277.15558	5.8
290.18668	6.7
291.19040	1.1
299.05551	1.2
332.19833	5.8
335.07739	1.2
376.18790	100.0
377.19147	12.7
402.20236	1.0
420.21396	12.8
421.21771	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	420.2757
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
50.19212	0.5
55.13710	0.5
57.60188	0.5
59.01376	2.3
61.98814	0.9
71.53912	0.9
75.22057	0.5
93.03471	0.8
98.28922	0.5
100.16642	0.5
113.49161	0.5
116.30122	0.5
119.05017	0.7
121.02966	100.0
122.02560	0.7
122.03280	3.3
127.87047	2.8
129.20985	0.5
159.86040	4.8
199.89143	0.7
203.21054	0.6
255.43527	0.6
273.28186	0.6
389.60605	0.6
420.27563	53.7
421.27927	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	421.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42363	0.3
54.80162	0.4
56.25397	0.4
57.03431	0.6
59.01387	1.5
60.47878	0.4
62.91905	0.4
64.06638	0.4
67.01896	0.4
71.01390	0.9
71.53090	0.5
72.99302	0.5
78.91900	1.3
78.95911	5.7
85.02954	9.5
87.00899	3.3
93.03471	2.4
96.96027	0.9
96.96988	2.0
105.35938	0.4
108.90214	0.5
109.02983	0.7
110.89954	0.4
110.98560	0.4
111.00883	2.8
111.04540	0.8
127.04028	1.9
129.01978	0.6
139.37955	0.4
148.94994	0.5
150.97981	0.5
171.03015	0.7
173.04526	1.0
191.02101	4.1
191.05634	100.0
192.05978	4.2
193.53055	0.5
222.67064	0.5
241.01207	0.9
246.89995	0.5
273.04630	1.2
414.30292	0.4
421.07553	10.0
422.07770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.4
59.01386	25.4
61.98832	2.4
71.01384	11.8
71.54050	2.7
72.99314	4.3
73.02943	2.5
74.99105	11.0
76.62968	2.0
78.91911	4.2
78.95911	2.7
79.54212	1.9
85.02961	5.6
87.00880	2.1
89.02438	4.6
93.03467	6.4
96.96021	23.9
99.04533	11.7
101.02446	8.3
113.02474	5.2
115.68964	1.8
116.01766	3.0
116.92904	3.1
119.03499	2.1
121.02976	6.1
122.03770	4.5
123.00922	4.3
128.03543	3.7
135.04564	5.1
138.03265	5.6
138.24702	2.1
149.02460	43.3
150.03281	22.6
151.04094	2.3
152.01161	4.3
153.05540	8.8
159.60257	2.4
161.04622	12.8
163.04031	4.6
164.04805	24.3
165.01901	2.3
165.05595	25.6
173.04527	4.8
179.07140	9.6
191.05641	8.2
193.01364	10.6
195.03259	5.0
195.06645	11.7
196.07039	2.7
197.04631	3.1
201.07848	2.0
208.03780	26.0
223.06126	100.0
224.06471	7.4
225.04039	3.5
286.08456	2.5
301.10861	13.2
339.07587	2.3
421.11844	2.5
421.21088	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
83.01456	1.2
88.98810	6.4
97.02947	1.5
107.01401	1.4
111.46554	1.1
115.67593	1.3
121.02983	4.7
122.03297	1.7
125.02497	1.7
132.03918	1.3
151.00368	5.2
170.46608	1.2
171.04546	1.7
189.01572	1.4
262.11932	3.7
269.04568	1.5
270.05392	12.3
281.04684	1.6
295.06326	2.9
296.06879	4.0
297.03983	3.5
298.04852	40.1
299.05167	3.5
307.06195	2.8
309.04071	12.0
323.05649	27.5
324.06387	42.8
325.06723	5.3
326.04388	11.5
327.04645	2.2
330.03839	12.6
331.04135	1.5
331.18762	1.8
352.05902	4.2
393.13565	11.5
394.13834	2.2
421.12976	100.0
422.13358	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	421.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39349	0.8
55.71909	1.0
57.03450	2.7
59.01373	3.5
63.02408	8.3
65.00330	29.3
70.09346	4.3
81.03481	2.6
83.01390	17.7
84.04559	1.5
100.07698	1.9
102.05607	8.7
107.01401	34.8
108.02203	1.8
123.04543	13.2
124.01683	2.0
125.02460	26.3
128.03552	9.1
133.02966	1.1
134.03799	1.3
135.00911	1.9
136.01671	1.7
137.96083	1.0
143.05017	0.9
145.02998	1.6
146.03680	1.5
146.04706	1.2
147.04529	1.5
151.00389	97.7
152.00772	4.1
154.43727	1.1
157.02966	1.7
160.01633	1.2
161.02461	31.0
162.02925	1.1
165.01909	2.0
166.02625	1.2
167.03525	28.7
168.03865	2.1
169.01396	1.7
172.05307	10.2
174.03212	3.7
187.04028	3.7
189.01967	4.8
197.06053	2.5
198.03273	1.5
199.04033	3.2
200.04807	4.8
209.06097	2.0
211.03947	1.5
211.07658	7.9
212.04720	1.5
212.08267	1.7
223.17023	3.6
224.04793	1.3
225.09297	7.6
226.10078	2.6
227.03502	1.5
237.05675	1.8
239.10814	1.7
240.04343	1.6
241.05176	1.3
241.12376	37.2
242.12738	3.5
243.02968	1.8
253.08766	3.2
255.02986	8.4
264.04620	1.1
265.05136	1.4
265.12344	1.5
267.10217	2.3
269.04474	2.9
269.11816	34.0
270.05374	3.8
270.12210	3.3
281.04486	2.9
283.02661	1.9
291.10272	2.9
293.12012	1.7
293.21353	4.8
295.09680	3.8
297.04086	21.0
298.04803	18.5
299.05499	2.4
306.05399	8.0
307.06088	1.7
309.04037	24.3
310.04492	2.0
319.09778	3.6
320.06769	1.6
323.05609	2.3
324.06335	2.4
326.04401	3.6
330.03888	2.8
331.06161	3.3
333.11313	1.3
337.03952	1.1
352.05734	3.0
374.11688	1.7
375.12225	9.6
376.12933	1.2
378.27042	1.2
393.13348	10.3
394.13748	1.8
403.11877	100.0
404.12198	14.4
404.24512	2.6
421.12979	79.7
422.13376	13.2
422.25531	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	421.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60538	0.8
57.03439	1.6
59.01380	9.0
63.02396	1.0
65.00335	6.2
69.59442	1.6
69.59853	4.3
83.01386	5.0
87.12955	0.8
87.71770	0.8
96.07170	0.8
107.01398	12.5
123.04507	1.3
124.01656	3.5
125.02452	9.2
151.00381	43.7
152.00754	1.1
159.04510	3.2
160.05289	0.9
161.02460	23.1
162.02795	1.1
163.00392	0.9
167.03459	2.5
171.04509	3.3
172.05310	6.2
174.03299	1.1
175.04008	10.7
176.04761	1.1
177.01982	1.7
183.04529	5.1
184.18129	0.8
187.04031	6.8
188.04820	5.5
189.01990	1.9
194.78192	0.8
195.04262	0.8
196.05278	3.5
197.06081	1.5
198.03224	2.3
199.04033	3.8
200.04800	8.9
201.01944	1.2
201.05388	0.9
203.03619	1.3
204.04144	1.6
209.06070	2.2
210.06877	4.2
211.04099	2.7
212.04671	1.6
213.05592	2.5
214.02724	3.2
215.03534	4.2
220.05135	1.9
223.04021	1.5
224.04785	17.5
225.05386	2.8
226.02734	4.7
227.03514	8.3
233.06120	2.1
235.69406	0.8
236.04692	1.6
237.05505	4.5
238.06313	5.7
240.04253	2.0
241.05023	1.1
243.02931	2.7
248.04778	3.5
249.05588	5.0
250.06378	1.6
251.03548	2.0
251.07050	0.9
251.10864	1.0
253.05128	7.0
254.05681	2.0
255.03073	1.7
261.05545	3.3
262.06290	2.2
263.03448	7.2
263.06259	1.3
264.04211	9.8
265.05087	4.5
266.05780	3.6
267.02982	2.1
269.11847	2.7
277.05099	5.5
278.05792	1.9
279.06509	2.1
280.03842	1.2
280.07401	4.3
281.04553	3.3
282.05347	2.5
283.02637	1.7
283.05972	1.9
286.04865	1.6
290.05884	2.8
291.06448	1.4
293.04602	3.9
295.06192	1.7
296.03299	3.6
296.06503	1.0
297.03976	1.1
305.04477	5.4
306.05276	8.8
307.06082	5.2
308.03433	1.7
308.06488	1.1
309.04053	24.5
310.04434	2.8
322.04831	3.5
323.05621	17.8
323.09381	1.3
324.06171	1.4
333.04071	2.2
334.04840	19.0
335.05475	3.8
351.05072	9.0
352.05899	100.0
353.06247	13.3
366.03824	5.7
377.10272	1.3
403.11868	1.9
421.12952	58.2
422.13333	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	421.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04098	12.1
51.50124	11.1
51.93441	11.5
52.18696	11.8
56.73484	11.7
59.01371	26.2
65.64278	11.9
69.42487	100.0
70.56285	12.1
72.87517	11.8
79.00418	14.3
85.27473	12.2
98.20638	17.6
102.68662	11.6
142.28421	12.1
156.44533	13.3
225.18591	35.5
250.64812	12.6
255.02988	42.4
263.74664	13.2
283.02307	15.5
286.80139	12.7
421.12811	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	71.8
59.01387	100.0
61.98835	14.0
66.91335	3.9
68.88821	3.4
69.79946	8.1
69.80363	15.6
71.01382	18.4
73.02949	6.8
76.69604	3.2
79.57858	3.4
83.01359	3.5
85.02963	12.3
89.02468	13.0
99.04532	57.6
101.02453	27.4
108.02207	3.5
113.02463	11.4
114.12275	4.1
117.21512	3.5
119.03545	3.9
119.12978	3.3
125.02446	16.4
143.03516	4.5
153.01846	4.0
160.04079	5.8
183.69257	4.5
191.05649	9.3
235.33812	4.2
247.02431	4.6
277.12900	12.6
377.18085	4.7
403.11212	5.1
421.11090	3.9
421.16058	18.1
421.21179	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	421.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.6
59.01389	100.0
71.01392	65.2
71.27254	18.8
73.02950	31.8
74.48207	9.8
76.12648	10.0
82.16344	12.2
83.01347	14.1
83.68813	10.3
85.02964	19.9
89.02452	28.0
93.03477	35.5
99.92610	15.6
101.02457	34.1
113.02444	14.2
116.92870	19.4
118.98118	32.2
119.03476	12.7
121.02982	16.0
121.83346	11.8
134.06129	20.4
135.04543	42.3
137.02464	26.0
160.04053	12.7
161.02428	49.6
162.05597	40.8
173.04564	58.6
176.03981	20.6
179.03450	28.4
187.07658	18.2
191.05614	62.6
206.04613	32.8
231.10295	38.2
238.07268	29.0
275.09232	37.4
335.07834	25.4
340.11557	78.3
340.61963	16.2
403.14383	14.8
421.16269	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40180	11.6
57.03449	13.1
59.01386	100.0
69.38740	39.3
69.39160	54.7
71.01405	39.1
78.75037	12.8
85.02963	16.6
89.02473	13.7
93.03488	37.2
95.01432	14.6
98.20608	24.6
99.92621	13.8
101.02448	32.9
103.01085	12.7
118.98065	13.3
133.03050	16.4
135.04547	34.9
146.48901	15.5
161.02483	36.1
162.05577	37.8
173.04575	45.2
176.04050	21.6
179.03537	24.0
187.07716	18.2
191.05614	40.9
196.11380	12.1
206.04575	25.2
231.10393	16.6
238.07126	30.9
275.09155	24.8
335.07590	34.2
340.11523	24.6
340.61816	21.7
345.15567	23.6
421.11545	23.9
421.16464	40.4
422.16965	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02503	4.7
57.03450	45.5
59.01113	8.7
59.01384	100.0
60.00309	3.7
61.98818	5.0
69.41953	35.5
71.01385	33.0
73.02960	4.9
79.92838	4.1
85.02950	9.1
89.02449	9.5
91.91630	4.1
94.03979	4.2
98.20638	8.4
99.04521	51.7
101.02452	53.8
107.05560	4.1
112.27200	4.7
113.02452	6.2
115.50613	4.2
116.92883	7.7
125.02422	11.8
143.07170	19.8
146.08243	8.1
161.02504	4.8
166.23227	5.2
191.05635	10.5
208.03915	4.3
277.12524	15.2
310.11584	4.6
349.58511	4.2
377.18170	65.7
378.18781	5.9
421.16220	18.4
421.20828	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	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	100.0
59.01388	75.5
59.01640	0.9
59.01696	2.1
61.30109	1.3
61.98834	2.3
65.85960	1.4
70.30715	4.7
71.01392	26.4
72.99334	1.7
73.02954	21.8
79.03642	1.4
79.05547	2.0
81.03473	1.9
83.01401	6.7
85.02959	4.9
85.65081	1.2
89.02457	14.8
90.21557	1.2
98.19925	1.6
99.04533	78.3
100.04839	3.2
101.02462	42.9
113.02455	13.6
113.06079	3.6
119.03497	5.3
123.04536	13.3
125.02467	27.2
131.03575	1.8
135.04608	2.1
141.05600	2.9
143.03510	5.2
146.08231	4.0
149.02478	2.4
149.04579	3.0
149.19421	1.3
150.03207	6.2
153.05585	3.6
155.03404	1.7
161.04587	7.6
165.05586	5.2
170.61066	1.2
172.25090	1.4
179.05611	3.0
195.06619	2.2
217.11906	2.2
221.06680	1.8
223.06076	1.7
259.02484	2.1
271.02380	2.1
272.03180	1.9
277.12366	7.1
281.27734	1.5
301.03491	3.9
301.95529	1.5
331.04700	3.3
403.05551	1.5
421.07797	2.1
421.16812	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86770	1.9
69.87183	3.8
70.73630	0.9
78.95892	2.3
83.97274	1.0
92.71630	0.9
110.98544	3.6
111.93315	1.0
112.34451	1.0
117.18221	0.9
152.61858	1.2
162.71361	1.0
163.11301	100.0
164.11604	6.3
185.02193	6.9
220.43037	1.1
222.08817	1.1
253.21828	1.8
339.23297	67.8
340.23654	9.0
372.50180	1.0
376.51086	1.0
379.21326	2.3
381.31778	1.3
421.22525	3.5
422.22720	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12780	1.9
59.01372	5.4
70.54938	5.9
88.98814	3.0
121.02961	4.7
123.91522	2.3
128.03516	1.9
132.94753	2.0
151.00348	6.7
213.05591	2.9
255.02942	5.9
262.91730	2.5
270.05392	9.2
296.07074	4.0
297.04105	2.3
298.04797	35.9
299.05368	2.7
307.06125	3.6
309.03958	11.4
323.05609	22.8
324.06403	48.8
325.06696	2.8
326.04276	11.6
330.03970	12.3
352.05838	2.4
393.13440	13.2
421.12991	100.0
421.28073	2.8
422.13318	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73064	12.0
59.01377	16.2
60.99324	12.6
61.98844	24.2
70.01181	43.9
71.44188	10.2
79.02539	9.1
88.98804	100.0
89.02458	10.9
98.20043	11.5
98.75175	9.0
121.02968	18.6
134.93398	10.1
137.09698	17.8
140.93858	10.5
193.08330	13.4
207.10036	54.6
221.99136	10.0
245.02579	37.3
247.02393	27.7
304.34119	10.5
313.17749	59.2
347.44345	10.5
421.12827	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35463	0.9
55.01876	2.3
57.03455	44.9
58.03785	1.7
59.01383	42.5
61.98840	1.0
63.45598	1.0
63.76085	0.8
69.27422	4.1
69.27852	4.3
71.01387	43.2
72.99321	2.2
73.02953	13.4
73.98334	1.0
74.99103	35.0
75.00883	3.0
79.05568	1.5
81.03468	1.6
83.01397	7.1
85.02962	13.0
87.00868	1.9
89.02458	11.3
93.03489	1.1
95.01392	2.1
96.96018	1.4
97.02940	1.1
99.00897	3.9
99.04530	47.5
100.04884	1.4
101.02451	45.6
102.02776	1.3
105.87909	1.0
108.40458	1.2
109.02970	1.1
112.31819	0.9
113.02473	13.8
113.06099	1.4
116.01759	10.5
116.92957	1.0
117.26949	1.0
119.03543	3.3
123.04533	6.0
125.02436	9.8
128.03551	1.4
131.03494	1.8
141.05573	2.1
143.03514	4.2
143.04501	1.1
153.05658	1.2
159.02975	2.7
161.04570	100.0
162.04893	3.1
176.62155	0.9
177.02104	2.1
179.05710	1.3
191.05603	4.6
192.04239	2.9
192.05815	1.0
195.03342	30.2
203.05647	1.9
207.06566	7.2
233.06747	4.6
237.04410	2.7
245.07219	0.9
261.13461	14.8
263.07788	13.4
264.08078	1.5
306.07715	1.1
339.07559	6.7
341.10675	1.0
343.09341	1.2
352.65402	0.9
363.16486	1.0
387.16605	1.1
423.10306	3.2
423.18817	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	423.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
59.01391	1.3
61.37499	0.8
62.07879	0.7
62.86878	0.7
63.02399	10.6
64.61624	0.8
65.00330	29.1
69.94350	3.1
81.03450	1.5
83.01392	15.2
88.98808	1.5
90.92554	0.7
96.05756	0.8
96.95955	1.1
100.65962	0.8
102.27036	0.8
105.38320	0.9
107.01398	37.9
113.09746	1.5
121.02991	1.1
123.04530	3.9
124.01711	1.6
125.02465	23.7
137.02461	1.0
145.02994	1.3
146.03754	2.4
149.02420	1.5
151.00383	100.0
152.00740	3.5
157.02921	0.9
158.03770	1.3
159.04442	1.1
161.02428	4.1
161.54672	0.8
165.01910	2.0
167.03497	8.6
169.01407	4.1
172.05339	16.1
173.06023	2.0
174.03224	3.7
185.06110	2.8
186.03204	1.4
186.06853	6.0
187.04005	2.3
188.04689	1.2
199.07581	5.0
200.04764	4.3
200.08345	1.3
211.04037	1.4
212.04813	2.3
213.09219	1.9
216.04306	1.6
226.02759	1.7
228.04221	1.6
228.11688	1.1
234.06580	0.9
237.35646	0.8
243.13911	87.0
244.14264	6.8
245.11992	1.0
255.03050	1.3
256.03879	1.7
257.04587	1.2
263.30399	0.8
267.13898	1.2
269.11877	2.9
271.13409	40.5
272.13770	3.3
273.11334	1.1
281.04355	1.1
282.01538	1.0
283.02478	3.2
284.03201	1.8
291.14020	1.0
293.11719	5.3
294.11996	0.9
297.03973	3.4
297.11371	8.5
298.04782	1.9
299.05560	1.1
309.04111	10.8
310.04883	1.1
320.03229	0.9
320.06931	2.0
321.11252	3.9
323.02081	1.1
324.02655	2.2
338.04266	1.3
377.13934	5.4
378.14438	1.5
393.13547	1.2
395.14978	16.9
396.15366	2.4
396.94611	1.0
405.05609	1.1
405.13458	68.0
406.13797	11.0
423.14526	99.2
424.14801	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	423.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63705	0.3
53.10682	0.4
57.03444	1.4
59.01376	1.4
61.98846	0.8
63.02392	1.2
65.00333	5.5
70.19960	0.8
70.20344	0.6
72.08542	0.3
76.93166	0.3
77.99492	0.3
80.25578	0.3
83.01389	3.3
93.01293	0.4
94.98639	0.4
107.01404	7.9
116.91625	0.4
123.04528	1.5
124.01677	1.2
125.02458	9.9
137.02458	0.7
145.11090	0.4
151.00386	26.8
152.00774	1.0
159.04440	0.7
161.02452	7.1
165.01953	1.4
167.03522	3.1
167.65952	0.4
169.01497	0.7
171.04526	0.4
172.05290	3.3
175.04030	3.5
177.01913	0.8
182.03818	0.4
183.04472	1.3
185.06078	3.2
186.06789	1.2
187.04050	2.4
188.04794	1.1
189.01866	0.5
194.92400	0.4
196.05301	2.5
197.06052	0.7
198.03215	1.1
199.03999	0.7
199.07590	0.5
199.16946	0.6
200.04800	2.8
201.01933	0.6
203.03490	0.6
203.86211	0.4
204.04285	0.7
209.06073	0.5
210.06856	1.0
211.04015	0.8
211.07463	0.4
212.04749	0.5
213.05484	0.7
214.02737	0.5
214.06342	0.4
215.03413	0.8
223.03995	0.4
224.04781	4.2
225.05397	0.8
226.02707	0.8
227.03494	2.2
227.10797	0.6
229.12334	0.7
233.06062	0.8
236.04807	0.5
237.05528	2.0
238.06306	1.5
240.04358	1.9
241.05025	0.8
243.02954	1.1
243.13831	1.6
248.04849	0.7
249.05515	0.6
250.02682	0.4
250.06396	0.9
251.03421	0.8
253.05083	1.4
253.12286	2.7
254.05933	0.5
255.03107	0.6
256.03683	0.5
257.11926	0.7
261.05591	0.9
262.06281	1.3
263.03540	1.6
264.04321	2.7
265.04990	2.0
266.05740	1.3
267.02890	0.7
267.13904	0.8
271.13394	8.1
272.03238	0.6
272.13763	0.7
277.05051	1.3
277.39050	0.4
278.05844	1.1
279.06546	0.9
280.03607	0.7
280.07288	0.6
281.04587	1.2
283.02594	1.0
283.06165	0.8
284.03027	0.4
291.06808	0.4
293.04483	0.7
294.05276	0.9
295.06271	0.5
295.13443	1.2
296.03354	0.8
296.06799	0.5
297.11343	3.9
305.04483	1.6
306.05301	2.8
307.06042	1.5
308.03314	2.7
309.04053	13.3
310.04462	1.3
319.13284	0.5
321.04010	0.4
322.04742	3.5
323.05627	5.8
324.06110	0.9
333.04053	1.0
334.04865	3.4
335.05423	0.9
337.14331	0.8
351.05096	2.4
352.05896	1.8
353.06604	0.5
354.03918	2.6
366.03723	0.4
379.11884	16.0
380.12225	2.5
405.13263	1.8
423.14511	100.0
424.14880	14.5
424.20660	0.5
438.81961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01379	51.4
71.01394	18.9
85.02953	13.8
93.03457	21.7
96.96020	16.1
106.11298	9.5
113.02435	16.7
125.09735	27.7
161.02411	10.3
173.04524	12.2
173.11884	26.8
179.74352	10.0
187.09789	19.6
190.64206	9.3
191.05634	21.7
201.11172	10.9
315.48779	9.9
335.33878	10.2
379.91895	10.1
423.18527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
57.03436	7.7
58.45247	9.2
59.01384	100.0
61.98848	10.1
63.27542	7.9
71.01386	39.1
71.54099	8.5
73.02937	10.7
75.78506	8.6
85.02986	11.6
87.00918	10.9
89.02468	44.7
93.03445	10.9
94.43327	8.7
96.96024	37.1
101.02454	35.4
108.87318	7.9
112.16737	7.6
113.02475	18.3
118.98097	49.9
119.03463	15.2
120.99680	18.0
128.36728	11.5
161.04659	12.0
166.83353	9.1
168.04840	9.1
173.04510	12.4
191.05568	49.0
199.13425	9.5
201.11255	9.8
219.90335	8.9
261.13531	10.5
283.04437	9.7
292.44644	8.9
329.17758	8.9
341.11020	24.3
387.16656	28.6
423.18091	97.8
424.18243	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	423.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11486	0.8
55.01899	3.6
57.03446	4.0
58.00595	3.1
59.01385	92.4
59.35878	0.8
60.01723	1.1
61.98827	1.2
69.03459	1.5
69.61208	4.0
71.01389	100.0
72.01723	1.3
72.99315	4.5
73.02954	22.2
75.00864	1.2
79.73896	0.9
83.01392	7.7
85.02959	25.4
86.00082	0.9
87.00871	8.6
87.01325	1.0
89.02454	84.4
90.02784	1.9
93.03449	0.9
95.01395	7.5
96.96021	2.0
97.02969	3.2
98.19903	1.4
99.00900	4.8
99.04543	0.8
101.02453	76.5
102.02814	2.1
111.00960	1.0
111.99548	0.8
113.02464	39.2
114.02798	0.9
115.04004	0.7
118.98126	1.4
119.03515	35.7
125.02450	5.3
131.03513	9.2
143.03513	9.9
149.04568	3.2
159.03012	4.2
161.04572	28.5
162.04926	1.5
162.17586	0.7
179.05623	52.8
180.05966	1.4
191.05580	1.9
199.24593	0.8
217.67159	0.6
221.06657	18.7
245.06622	0.9
261.13449	2.7
263.07852	0.8
341.10886	1.2
422.10611	0.9
423.18713	16.9
424.19073	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	423.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.0
57.03453	83.1
59.01385	100.0
62.00932	1.2
69.99908	6.1
71.01385	23.6
73.02957	7.8
81.03495	1.6
83.01397	2.9
85.02950	13.1
85.33762	1.3
87.00914	2.0
89.02467	4.9
92.07187	1.3
93.03474	4.2
95.01347	2.1
96.16572	1.5
96.96017	3.0
97.02931	1.9
99.00880	2.8
99.04528	67.6
99.27977	1.3
100.04848	1.4
101.02455	36.3
102.02823	1.6
113.02445	11.9
115.00365	2.1
118.98176	1.7
119.03530	2.0
120.99666	7.1
121.02923	1.4
125.02451	27.3
127.12254	1.2
133.02975	1.7
135.04539	6.4
137.02480	1.6
143.03568	2.8
144.05934	1.3
159.02919	1.9
159.20090	1.7
161.02429	4.4
161.04602	9.3
165.05638	1.7
173.04623	7.6
176.54308	2.0
179.03539	3.0
179.05759	1.4
191.05643	17.8
192.05920	2.9
209.11826	1.6
261.13477	3.8
277.71298	1.4
279.14505	37.3
280.14771	3.0
319.33408	1.4
321.15637	6.0
341.62408	6.6
347.17343	3.0
348.17410	2.1
380.61920	1.6
423.18573	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	423.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.0
57.03453	83.1
59.01385	100.0
62.00932	1.2
69.99908	6.1
71.01385	23.6
73.02957	7.8
81.03495	1.6
83.01397	2.9
85.02950	13.1
85.33762	1.3
87.00914	2.0
89.02467	4.9
92.07187	1.3
93.03474	4.2
95.01347	2.1
96.16572	1.5
96.96017	3.0
97.02931	1.9
99.00880	2.8
99.04528	67.6
99.27977	1.3
100.04848	1.4
101.02455	36.3
102.02823	1.6
113.02445	11.9
115.00365	2.1
118.98176	1.7
119.03530	2.0
120.99666	7.1
121.02923	1.4
125.02451	27.3
127.12254	1.2
133.02975	1.7
135.04539	6.4
137.02480	1.6
143.03568	2.8
144.05934	1.3
159.02919	1.9
159.20090	1.7
161.02429	4.4
161.04602	9.3
165.05638	1.7
173.04623	7.6
176.54308	2.0
179.03539	3.0
179.05759	1.4
191.05643	17.8
192.05920	2.9
209.11826	1.6
261.13477	3.8
277.71298	1.4
279.14505	37.3
280.14771	3.0
319.33408	1.4
321.15637	6.0
341.62408	6.6
347.17343	3.0
348.17410	2.1
380.61920	1.6
423.18573	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	423.2522
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
71.39585	0.4
71.39914	0.7
72.96973	0.4
78.95912	14.1
94.99060	0.3
101.18099	0.3
104.97485	0.8
110.98542	9.5
128.36998	0.4
137.00108	0.4
139.42114	0.4
139.65067	0.3
152.99638	0.6
167.01183	12.2
185.02222	2.5
228.42302	0.4
255.23312	100.0
256.23657	9.1
293.44086	0.5
356.73959	0.4
423.25226	18.6
424.25580	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	423.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
78.59335	0.4
78.95911	7.3
86.03474	0.4
98.20768	0.8
99.94404	0.4
106.25230	0.4
110.98541	5.6
121.73931	0.4
167.01173	5.9
185.02228	2.7
204.30568	0.4
255.23311	100.0
256.23633	10.2
292.87262	0.5
361.89279	0.4
367.46954	0.4
423.25272	10.5
424.25671	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	424.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.5
61.98849	0.3
69.25012	1.3
69.25438	1.5
70.74687	0.3
76.65516	0.3
78.95912	16.6
89.93230	0.3
115.07653	0.3
122.00163	0.9
127.11334	0.3
130.11121	0.3
136.75432	0.4
140.01204	4.4
141.01978	0.3
152.99542	1.3
167.14461	0.3
169.12389	0.4
196.03809	9.1
211.13470	0.3
214.04898	1.8
227.20187	100.0
228.18245	0.4
228.20515	9.1
229.14436	0.9
264.08386	0.3
272.18842	0.4
424.24750	19.2
425.13367	0.3
425.24945	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	424.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16182	1.2
58.02971	1.8
59.01377	4.7
60.53899	1.0
70.65847	2.8
70.66205	1.9
74.02488	1.8
84.04556	7.7
92.05049	2.4
92.92815	2.0
96.95995	1.3
100.07684	10.0
102.05619	68.8
108.83651	1.1
128.03551	72.4
129.03857	2.2
136.04053	4.0
146.04637	7.3
150.71030	1.1
183.11789	1.3
196.56779	1.0
216.77824	1.2
222.09312	3.2
223.17058	15.6
241.11162	1.2
277.21628	6.4
278.21497	1.1
295.22794	36.4
296.23154	3.6
310.04532	1.3
350.11227	1.2
360.79337	1.3
367.16577	7.6
380.28046	9.2
381.28696	1.5
406.25986	10.7
407.26544	1.5
424.15002	12.5
424.27072	100.0
425.14655	2.5
425.27417	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	425.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69702	0.3
57.03454	20.3
58.02971	0.4
58.03787	0.3
59.01384	5.0
61.98855	0.3
64.43829	0.3
70.74287	0.6
70.74660	0.6
71.01378	0.9
72.99336	0.4
81.03467	0.4
82.95432	0.3
83.01369	0.4
85.02949	0.6
87.00848	0.4
87.64289	0.3
88.59933	0.3
89.02451	0.3
90.07015	0.3
93.03447	1.9
96.95998	0.6
99.04528	13.6
100.04861	0.5
101.02441	4.3
110.42496	0.3
111.04517	0.3
113.02480	0.5
113.25917	0.3
119.05036	100.0
120.05366	4.1
125.02456	7.9
128.03561	0.7
135.04518	0.7
143.03500	0.4
143.04597	0.6
151.08768	0.4
161.02452	0.6
173.04573	1.4
176.04063	0.5
191.05612	3.2
226.49146	0.3
281.10306	0.7
316.73187	0.3
337.03604	0.3
409.05756	0.4
410.06409	0.8
425.08884	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	425.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08812	2.2
55.01881	2.8
57.03454	2.3
58.00585	3.1
59.01386	82.9
61.98838	61.0
67.01870	2.2
68.65195	2.5
70.81725	6.3
71.01016	4.5
71.01388	68.6
72.99311	14.2
73.02954	9.5
75.00892	2.9
78.95912	3.8
79.95757	2.1
82.95414	10.3
83.01389	6.6
85.02966	23.1
87.00885	6.2
89.02453	50.2
89.03014	2.7
93.03468	9.0
95.01358	2.4
96.96023	100.0
99.00896	5.2
99.92600	7.0
101.02460	34.3
113.02472	20.7
115.92096	6.5
118.96632	4.5
119.03519	18.1
121.02964	15.1
131.03477	2.6
133.02927	5.6
134.03737	2.5
135.04564	5.0
140.98752	3.1
143.03535	4.2
159.03030	4.3
161.02470	26.9
161.04530	21.7
173.04570	15.2
175.04073	2.3
179.05650	12.8
191.05637	21.9
193.05055	2.7
194.99776	4.9
203.03299	2.8
203.12845	11.8
222.99210	5.5
233.84871	2.1
245.01167	6.0
263.02502	3.4
264.06436	6.0
287.10071	2.2
303.00449	7.1
340.05740	2.5
365.01797	9.9
365.18149	60.7
366.01492	2.5
366.18454	6.2
367.10141	5.4
425.02142	5.0
425.13306	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	425.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39991	0.5
59.01386	100.0
60.01729	0.9
60.27060	0.5
60.68307	0.5
61.98841	0.7
69.20433	3.8
69.20853	1.6
70.24562	0.6
71.01393	2.0
73.02954	0.6
81.03453	0.6
82.95438	1.1
85.02973	1.9
93.03474	2.9
95.05016	0.5
96.96018	5.5
98.95582	0.9
111.04552	0.7
123.79921	0.5
128.03621	1.6
133.02977	1.3
135.04562	1.9
141.49924	0.5
143.04640	0.6
161.02467	2.1
168.53639	0.6
173.04636	2.7
176.04057	1.5
191.05640	7.0
192.06088	0.6
209.11833	3.0
227.12946	2.0
263.07471	0.7
329.16071	0.5
389.18414	1.2
404.12781	0.6
425.09134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05534	2.6
70.85613	1.2
71.05036	10.7
80.05069	0.8
98.20262	1.0
114.09262	2.3
130.08742	15.5
186.15016	8.6
194.11923	1.1
212.12946	1.7
214.86633	0.8
230.13991	100.0
231.14348	6.2
257.56180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0708
Annotation	Diethylstilbestrol diphosphate
Peak:m/z	Relative Intensity
51.15041	0.6
59.01391	4.7
60.99311	0.7
61.98827	1.7
62.31475	0.6
67.01893	1.7
70.30626	2.0
71.01375	1.9
74.50149	0.6
79.95760	0.7
85.02953	7.9
87.00875	5.1
88.00403	3.7
93.03476	11.3
94.03737	0.7
96.96028	3.5
109.02933	1.5
111.04493	2.6
121.02940	1.2
123.44595	0.6
127.04020	2.2
129.01936	0.8
133.02948	0.8
134.31287	0.7
135.04536	20.6
145.02931	0.8
147.04564	5.8
159.04573	0.7
161.02461	30.3
162.02876	1.1
163.04030	16.1
173.02419	1.0
173.04546	4.9
174.03212	1.6
175.04024	15.6
181.03304	1.6
191.01865	7.8
191.05630	77.2
192.05966	3.5
192.99632	2.6
201.01941	1.2
205.12236	0.7
209.02797	61.5
209.96986	0.6
210.03116	4.3
216.99625	1.7
235.00708	17.9
235.24199	0.7
236.01079	1.4
251.60675	0.7
253.01761	8.2
266.73117	0.7
295.12881	0.9
338.39532	0.7
427.07062	100.0
428.07318	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	427.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	4.2
59.01603	1.6
60.73977	0.4
70.68279	0.7
70.68618	0.9
71.01264	1.4
73.02874	0.5
85.02880	0.6
89.02373	0.5
93.03383	1.1
101.02357	0.4
128.52449	0.4
133.02934	0.7
135.04379	1.4
137.02399	0.5
161.02336	1.1
169.38412	0.4
173.04559	0.9
176.04050	2.6
179.03436	1.7
191.05595	2.3
208.08925	0.8
210.06812	0.5
220.08879	3.7
221.09723	85.1
222.10049	6.9
223.07658	2.4
234.06833	1.4
235.07674	2.3
248.08430	13.1
249.09048	2.1
252.08116	0.6
262.10031	1.5
263.10773	12.7
264.11554	100.0
265.08746	20.3
265.11984	12.2
266.09021	2.1
267.43689	0.4
307.13577	0.8
326.01514	0.7
346.17184	0.8
357.27039	0.6
359.28259	1.4
427.18225	23.5
428.18710	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	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
57.03456	100.0
58.00597	1.2
58.03789	2.3
59.01386	76.3
69.19376	7.0
69.19785	2.6
71.01391	26.6
73.02953	19.9
79.05569	1.5
83.01392	5.7
85.02968	3.5
87.00891	2.2
89.02455	14.9
93.03483	1.2
95.05054	1.4
97.06639	1.7
99.04529	71.9
100.04842	1.8
101.02453	35.0
113.02460	9.7
113.06079	2.9
119.03519	5.9
123.04549	9.4
125.02473	21.7
131.03477	2.0
135.04611	1.4
141.05556	2.7
143.03471	4.4
149.04564	1.6
151.00354	1.4
153.05609	1.7
155.03474	1.4
160.90671	0.9
161.02429	2.8
161.04604	5.6
173.04567	4.5
179.05653	3.2
180.58659	1.1
191.05574	2.4
273.64429	1.0
288.53607	1.1
300.21002	0.9
417.70108	1.2
427.15744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01775	1.5
55.01872	1.8
57.03454	100.0
58.03776	1.8
59.01385	93.8
71.01388	18.3
71.55266	2.4
73.02947	6.4
76.07173	1.3
77.04063	1.6
83.01398	4.4
83.55744	1.7
85.02969	9.0
85.21605	1.3
89.02464	2.1
93.03513	3.0
96.95994	2.4
99.00893	3.7
99.04529	82.2
100.04881	2.8
101.02445	31.1
113.02449	8.3
118.15885	1.6
121.31351	1.4
123.23257	1.4
125.02456	22.8
128.03542	2.1
129.78688	1.3
130.08705	1.5
130.81816	1.3
133.02980	2.3
135.04510	1.5
143.03471	1.8
149.94011	1.4
161.02478	6.8
161.04567	7.5
173.04526	5.3
191.05614	6.2
265.61700	3.7
283.11893	22.6
427.09998	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53567	0.7
53.58660	0.8
55.01899	0.8
57.03455	100.0
57.66662	0.8
58.00586	0.9
58.03790	1.7
58.71294	0.7
59.01385	76.8
60.01704	0.7
69.03445	0.8
69.69667	5.1
69.84657	0.7
71.01389	25.9
72.99295	1.3
73.02957	18.4
78.60934	0.7
79.05524	1.2
80.88899	0.9
81.03463	1.3
82.34251	1.1
83.01397	7.3
85.02956	2.6
87.00880	1.0
89.02448	16.5
93.03460	3.2
95.01388	1.5
96.96021	0.9
97.06612	0.8
98.20626	1.8
99.04530	70.7
100.04861	1.9
101.02453	33.8
102.02776	0.8
102.05634	0.9
111.04517	0.9
113.02448	11.5
113.06092	2.6
119.03497	5.9
123.04534	11.7
125.02461	24.9
131.03481	2.0
135.04549	0.9
137.02408	1.0
141.05591	2.4
143.03500	3.7
149.04532	2.4
153.05574	1.1
155.03421	1.4
161.02478	1.6
161.04570	6.9
172.99414	0.8
173.04550	4.9
179.05608	3.5
191.05594	2.9
212.68304	0.9
351.88290	0.9
384.16483	0.9
427.20383	1.4
440.69827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01711	0.7
66.51642	0.5
67.04681	0.5
69.56742	0.5
70.41748	0.5
70.87464	1.5
71.01390	8.1
73.02969	1.6
83.01401	1.2
85.02954	3.6
89.02455	1.7
92.39034	0.5
95.01414	1.2
96.96030	2.4
100.94190	0.5
101.02467	3.2
107.05119	0.6
113.02467	6.0
118.17612	0.6
118.91814	0.6
136.05385	1.1
138.06905	1.9
149.06259	0.5
149.58659	0.6
151.07698	3.0
152.08437	9.5
153.09238	16.1
153.77673	0.5
154.09563	1.1
161.04610	2.3
165.09232	0.8
205.12350	12.0
206.12775	0.7
223.13452	2.0
313.14856	0.5
367.17715	5.5
368.17841	0.6
385.18735	0.9
427.19974	0.5
428.20306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03456	2.0
58.00623	1.0
59.01387	100.0
60.01735	1.2
61.98860	0.7
65.57623	0.5
69.03457	1.2
71.01391	26.2
71.54171	0.8
72.99311	1.1
73.02956	28.3
81.03479	0.7
83.01395	6.9
85.02958	5.3
87.00895	1.2
89.02455	8.6
93.03481	2.5
95.01421	1.5
96.96037	0.8
97.02954	1.3
99.00900	0.7
101.02458	23.3
102.02830	0.9
109.02957	0.5
113.02465	10.7
119.03514	3.7
119.47229	0.5
121.02950	1.0
123.08170	1.1
125.02449	1.2
131.03546	2.5
135.04572	1.6
135.08203	1.3
137.06110	2.0
143.03491	3.0
147.08189	1.0
149.04637	1.8
151.07701	2.8
153.09230	23.1
155.03513	0.9
161.02449	1.3
161.04573	7.5
163.11336	1.9
163.42546	0.6
165.09299	1.0
173.04573	2.1
175.11368	0.9
179.05687	1.4
187.07715	1.3
187.11383	1.9
189.09258	0.7
191.05606	3.0
192.05817	0.6
203.05542	0.8
205.12355	12.3
223.13391	8.1
231.06718	1.3
247.07471	0.7
248.08490	1.5
249.70932	0.6
263.10846	3.4
264.08322	1.3
264.11551	13.6
264.14371	0.8
265.11969	1.3
367.17743	2.3
385.18845	3.1
386.18973	0.6
427.10004	1.2
427.18570	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	427.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
62.17543	1.5
69.57844	9.5
80.46835	1.5
92.92788	2.1
96.96028	2.5
98.19923	3.1
111.45969	1.5
111.73524	1.6
119.93592	1.6
163.07657	1.9
198.78729	1.4
235.17090	3.8
275.20172	5.0
293.21152	2.5
304.16049	1.6
427.15381	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09263	0.8
51.97466	0.8
53.61340	0.8
59.01385	100.0
61.98819	3.0
71.01385	3.6
72.99313	1.5
81.30441	0.9
81.65331	0.8
85.24036	0.8
91.04003	2.6
92.92781	1.0
96.96025	8.8
111.45557	0.8
111.94122	0.8
115.00347	1.4
119.94714	0.9
126.76634	1.0
127.22308	0.8
139.11310	0.8
139.91269	0.8
171.10138	1.1
195.14073	0.8
275.20169	3.5
290.96964	1.1
293.21234	11.5
294.21738	1.1
311.22287	16.1
312.22678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01722	1.1
64.69096	0.8
67.09428	0.8
70.90821	1.4
70.91163	2.2
88.12623	1.0
98.47128	0.9
104.13747	1.0
115.56002	0.8
153.73994	0.9
185.97043	0.9
215.49190	1.1
248.96292	1.0
273.88867	0.9
296.02802	1.0
321.10614	1.0
406.48520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14866	0.8
53.64093	0.8
59.01387	100.0
60.01723	0.9
67.64869	0.8
69.91840	4.0
72.39040	0.8
86.88486	0.7
94.92532	0.8
100.65256	0.9
149.24438	0.9
156.08994	0.9
163.07631	1.2
165.20020	0.8
231.53360	0.9
293.21286	5.6
366.12302	0.9
367.13803	2.4
427.28448	1.7
451.63943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06301	2.1
54.36385	2.0
59.01389	26.9
61.98820	5.5
70.05977	8.2
70.06324	3.1
75.97112	2.4
79.95745	2.2
82.55271	2.8
89.81543	2.2
96.96029	25.7
101.37236	2.3
108.71827	2.6
160.84230	34.0
161.84233	4.0
162.83931	100.0
164.83630	10.0
165.87144	2.6
171.10240	5.9
191.05516	2.8
191.98711	2.7
192.00479	2.3
195.79659	2.2
199.09711	3.0
225.97495	2.3
250.21214	2.3
291.19647	4.6
427.27179	2.8
436.61331	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	427.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80002	7.2
57.80952	6.9
59.01385	100.0
59.05664	6.0
61.98834	11.2
69.88988	34.7
73.57240	6.4
91.03998	8.9
93.16155	6.1
102.65094	8.2
116.92863	15.6
145.68503	6.0
153.24437	6.5
220.14655	7.1
221.15477	75.9
222.16089	9.5
265.55081	6.0
266.09317	7.4
275.16449	7.4
284.10599	10.5
289.12155	8.0
427.27728	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	427.2853
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
52.14550	0.7
59.01389	12.9
60.99302	1.7
61.98826	1.0
71.54237	0.7
85.06598	1.9
91.64975	0.6
96.91018	0.7
96.96037	2.5
97.06604	2.0
97.74687	0.8
109.62056	0.8
112.36162	0.8
163.11331	0.8
165.12970	1.3
166.82312	0.6
167.22775	0.9
339.23404	1.8
349.25510	2.3
365.28442	8.8
366.28839	1.8
367.26428	24.8
368.26868	3.0
393.24506	2.5
409.27704	1.4
411.25485	3.2
427.28571	100.0
428.28979	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	427.9625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.0
61.98846	0.5
69.39153	0.8
69.39555	3.1
72.49928	0.5
83.58376	0.5
96.96018	1.9
105.44167	0.4
111.18137	0.5
144.40813	0.4
160.84157	1.4
162.83931	100.0
163.83998	1.1
193.05167	0.5
231.12566	0.5
234.56190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
59.01379	3.8
61.98838	100.0
62.27700	0.5
71.01402	1.1
71.12743	1.2
72.99334	0.6
73.01607	0.5
76.81433	0.6
85.02977	1.1
87.00888	1.4
87.05735	0.6
96.96017	4.1
99.04543	1.3
101.02453	0.9
123.04533	6.3
125.02483	1.1
128.03535	1.4
135.04491	0.6
137.02557	0.6
158.98300	0.6
161.04637	0.6
173.04646	0.6
191.05664	1.4
425.94638	0.7
429.20114	0.9
450.37418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82861	0.7
59.01386	4.8
63.22869	0.5
69.03471	1.7
69.70777	3.1
70.61176	0.5
85.02943	0.6
89.03976	2.3
91.05569	0.5
93.03471	1.1
98.19981	0.8
106.04260	0.6
107.05000	0.8
109.02942	0.8
113.02487	0.6
117.03477	7.9
119.05026	0.9
121.02953	1.3
132.02185	2.4
133.02969	20.0
134.03754	100.0
135.04564	36.9
136.04849	1.6
137.02444	4.1
147.04539	0.9
148.05322	0.6
149.06076	7.8
159.04478	0.8
160.01703	8.5
160.84236	1.1
161.02454	44.1
161.06102	5.0
162.02786	1.8
163.04068	0.6
164.10632	0.5
165.00179	0.9
172.74626	0.5
173.04541	0.8
175.04021	11.4
176.04286	0.8
177.02000	0.6
178.02747	1.8
179.03497	11.1
179.04984	1.0
191.05568	1.0
193.05070	52.3
194.05406	2.3
235.06108	13.4
236.06519	0.9
249.07568	1.4
252.06540	1.2
253.07196	34.0
254.07549	2.2
267.08835	1.2
290.86450	0.5
292.37192	0.6
365.83163	0.6
384.43524	0.6
429.11905	72.6
430.12271	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	429.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15821	0.3
59.01384	0.8
59.14186	0.3
69.03455	2.0
70.84319	0.7
89.03975	2.5
89.19621	0.3
91.05548	0.3
93.03453	0.3
105.03495	0.7
106.04247	0.5
107.05069	0.5
109.02962	0.5
113.02464	0.4
113.63456	0.3
117.03481	7.9
118.03774	0.3
121.02979	1.2
132.02199	2.8
133.02975	20.7
134.03760	100.0
135.04568	35.4
136.01648	0.3
136.04866	1.9
137.02466	3.7
139.04041	0.9
147.04497	0.8
148.05333	1.1
149.06090	8.0
150.06308	0.4
159.04547	1.6
160.01683	7.9
161.02466	43.1
161.06085	5.0
162.02817	2.8
163.03964	0.4
173.06105	0.7
175.04021	12.8
176.04417	0.6
178.02727	2.0
179.03511	11.0
180.03891	0.6
191.07181	0.6
193.05075	54.2
194.05414	3.5
205.05121	0.4
220.17264	0.3
234.05438	0.6
235.06140	13.8
236.06429	0.9
241.84425	0.3
249.07738	1.0
252.06477	1.0
253.07193	29.7
254.07503	2.4
267.08789	2.1
283.16916	0.3
293.06973	0.3
414.09622	0.4
429.11923	74.5
430.12274	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	429.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
69.30522	2.7
69.30930	0.8
71.01381	1.0
82.49646	0.4
87.00887	100.0
88.01221	1.8
89.02470	1.7
98.06187	0.4
98.19943	0.8
101.02452	0.6
113.02468	0.6
119.03521	0.7
143.85521	0.4
179.05681	1.0
210.76164	0.5
235.72499	0.4
242.86743	0.4
341.10895	4.0
403.15292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93124	0.5
57.03469	1.1
59.01387	38.7
60.01728	0.9
69.70237	3.3
71.01390	8.7
71.01722	0.6
73.02947	5.1
73.98365	0.7
83.01404	1.5
85.02959	3.1
87.00919	1.7
89.02425	3.4
89.03990	1.4
91.04047	0.9
95.00362	0.5
96.96019	3.1
99.04542	0.6
101.02444	6.3
105.03484	1.0
107.44667	0.6
108.02207	0.6
108.32268	0.5
108.44830	0.6
113.02460	3.7
117.03459	5.2
119.03551	1.5
121.02978	4.2
123.04549	1.5
132.02194	5.2
133.03021	3.4
134.03757	91.3
135.02780	1.3
135.04147	3.7
139.04018	0.7
145.79034	0.7
148.05342	1.2
149.02499	0.8
149.06087	10.8
149.07251	0.7
150.06451	0.7
153.01886	0.8
155.48712	0.6
160.01674	21.9
161.02313	2.1
161.04549	1.5
163.11299	0.9
167.03557	0.6
173.04568	0.6
175.04013	25.9
176.04332	1.9
177.01927	2.5
178.02710	0.7
179.01743	1.4
179.03389	0.7
179.05688	0.5
191.05644	1.8
192.04332	1.5
193.05066	100.0
194.02269	0.7
194.05399	6.2
207.10257	1.6
209.04468	0.6
225.07730	0.7
250.06474	0.9
253.09352	0.7
265.08453	0.7
307.10336	1.1
429.13663	30.3
430.14182	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	429.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	25.0
59.01386	4.4
69.78773	1.7
69.86890	0.3
71.01392	0.8
73.02966	0.4
77.03970	1.0
81.03456	0.6
83.01380	0.4
86.54927	0.3
93.03491	0.7
95.05029	3.2
96.96014	0.3
99.04530	18.4
100.04845	0.5
101.02455	4.9
105.03470	1.7
113.02448	0.4
121.02957	0.9
123.00914	1.2
123.04538	100.0
124.04871	3.7
125.02464	10.7
126.02882	0.3
137.02505	0.3
143.03535	0.5
149.02451	1.1
160.53908	0.3
161.04570	1.0
168.31596	0.3
181.99242	0.3
183.48228	0.3
256.04675	0.3
259.02530	0.3
259.41309	0.3
285.09885	0.8
327.10849	0.4
377.22018	0.4
429.14185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	81.3
58.00577	2.2
59.01387	100.0
70.98051	1.7
71.01399	45.0
72.99308	1.8
73.02959	29.9
79.05527	2.4
81.03471	3.6
83.01381	8.7
85.02962	9.7
87.00870	3.2
89.02451	56.3
95.01396	2.5
97.06637	3.6
99.04528	58.1
101.02454	61.2
101.03119	3.3
102.02774	2.0
113.02454	27.1
113.06120	2.2
119.03524	19.2
123.04538	20.8
125.02473	22.0
126.53539	2.0
131.03539	4.5
141.05569	4.0
143.03502	7.3
149.04552	4.5
153.05481	3.0
161.04564	97.5
162.04938	3.6
164.31998	1.7
173.04510	2.6
176.04041	1.9
179.04160	2.9
179.05629	41.3
180.05919	3.5
191.05562	3.9
203.05632	5.2
221.06633	2.9
233.06653	7.5
246.84645	1.9
263.07742	37.8
264.08154	2.5
323.09845	51.8
323.13736	2.6
324.10254	4.7
360.39310	2.0
429.17740	15.6
430.18216	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11264	0.5
52.88338	0.5
53.50598	0.5
55.01865	0.5
58.00594	0.6
59.01386	54.1
60.01730	0.6
61.98847	0.6
71.01385	12.2
71.54288	1.0
73.02953	9.8
78.95868	0.6
81.30382	0.5
83.01399	2.7
85.02955	3.3
87.00891	1.8
89.02450	3.6
89.03972	0.7
93.03490	0.9
95.01441	0.7
96.96033	1.6
99.00905	1.1
101.02452	9.7
108.02208	0.8
109.02966	1.1
111.04503	0.6
113.02454	3.8
117.03462	5.9
119.03546	1.5
120.47291	0.6
121.02993	1.5
123.04530	0.8
131.03537	1.1
132.02176	4.9
133.01460	0.6
133.02994	3.8
134.03760	90.8
135.04036	4.2
137.02444	0.8
148.05353	0.7
149.06113	11.6
152.01170	1.1
160.01688	23.7
161.02429	2.1
161.04587	1.7
163.11276	1.2
167.03496	1.8
173.04553	1.7
175.04024	28.7
176.04303	1.6
177.01955	0.7
178.02602	0.5
184.79422	0.5
191.05589	1.6
193.05078	100.0
194.05431	6.5
203.33356	0.6
207.10287	3.9
225.14777	0.8
267.08682	1.0
278.05270	0.5
387.16660	1.8
429.13959	23.9
429.18192	12.8
430.14206	2.6
430.18478	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	429.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15244	0.2
57.49825	0.2
59.01390	0.5
61.93364	0.2
68.91119	0.2
69.69859	0.2
70.08283	0.6
70.08649	0.3
72.64753	0.2
75.64400	0.2
79.00134	0.2
95.67016	0.2
99.00917	0.9
99.92590	5.1
100.92703	0.3
100.93371	3.3
101.93385	0.2
115.92090	100.0
116.92097	5.2
116.92884	5.8
117.92548	0.3
121.05594	0.2
132.92380	1.1
172.95470	4.7
173.95552	0.2
175.55305	0.2
255.23305	0.8
327.63034	0.2
355.15771	0.8
364.19043	0.2
371.15317	0.5
375.19571	0.2
381.17490	0.7
426.99301	0.2
429.14108	0.4
429.19504	3.7
429.33673	0.3
430.19861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03444	1.4
57.29916	0.4
58.99615	1.2
59.01386	100.0
60.01713	1.1
67.71915	0.4
69.03465	0.7
69.58353	3.0
71.01387	14.7
72.99321	1.1
73.02952	12.0
83.01392	4.3
85.02961	4.7
87.00876	0.6
89.02457	3.1
93.03471	0.8
95.01409	0.9
95.96986	0.5
97.58216	0.5
98.20621	1.0
99.00926	1.5
99.04506	0.6
101.02450	11.6
102.98618	5.2
110.17870	0.5
113.02476	4.8
119.03533	1.2
119.52419	0.5
120.99697	3.8
121.03004	1.8
123.00923	0.9
125.02479	0.8
127.04041	0.8
131.03561	0.8
135.04567	0.5
138.03282	1.1
143.03546	1.4
145.57504	0.4
151.11311	0.8
153.05632	1.0
155.03502	0.5
159.02988	0.7
161.04578	5.0
163.11322	2.3
173.04588	1.5
175.04092	1.4
181.12393	1.7
182.02252	2.5
189.12938	1.5
190.75740	0.4
191.05667	1.7
193.06415	0.6
197.04572	8.9
203.05630	0.8
207.13965	3.4
224.04834	1.0
225.14990	4.7
249.05711	1.3
250.06404	4.6
251.07045	3.2
252.08017	1.5
261.05695	0.6
265.08914	1.3
267.10379	1.1
277.05237	1.4
278.05930	2.3
293.08347	2.2
309.07907	0.7
311.09430	1.0
312.10129	0.6
327.12723	0.6
337.07239	5.2
338.07480	0.5
369.19266	0.9
385.13007	0.9
387.20517	1.4
429.12155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26360	0.8
53.16389	0.7
57.03461	2.9
59.01387	100.0
59.33246	0.8
60.01728	1.0
71.00952	1.5
71.01373	14.6
73.02952	20.1
82.78517	0.9
83.01404	5.1
85.02966	2.4
89.02464	5.7
94.57327	0.9
95.01411	1.5
99.04555	1.9
101.02452	15.4
104.03784	0.9
113.02464	5.7
119.03501	1.7
123.04478	1.4
125.02464	1.4
126.61263	0.8
128.36681	0.9
134.03722	8.9
149.04552	1.4
160.01735	1.3
161.04543	5.8
175.04004	2.3
179.05624	2.4
193.05074	8.3
207.13948	1.1
263.07721	1.0
285.09756	1.1
323.09866	1.9
393.49872	0.8
429.14139	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
57.03480	0.4
59.01385	100.0
60.01723	1.2
71.01386	5.9
71.65745	0.4
72.99393	0.4
73.02949	2.6
79.67886	0.4
80.40216	0.4
83.01395	0.8
83.58227	0.3
85.02953	2.4
89.02457	2.6
92.42396	0.4
95.01442	0.5
99.00913	0.4
101.02452	3.4
113.02469	2.5
119.03522	0.8
125.59123	0.4
137.09702	0.5
143.03491	0.5
161.04584	1.7
179.05701	0.4
189.12912	1.6
207.13997	1.1
219.52576	0.4
225.15048	0.6
256.35434	0.4
316.15903	0.4
369.19061	0.6
387.20178	3.5
421.62097	0.4
442.76205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01693	0.7
62.11101	0.6
78.03564	0.6
92.26994	0.6
98.20620	2.2
99.52298	0.7
136.65970	0.6
139.22946	0.6
142.91066	0.6
229.16595	0.7
237.51686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30058	0.6
59.01385	100.0
60.01716	0.7
61.42681	0.7
61.98844	1.7
69.57604	2.7
89.99381	0.6
91.04037	2.6
96.96001	2.7
102.81774	0.6
110.01039	0.6
110.56938	0.6
157.20523	0.6
167.41524	0.5
190.60916	0.6
195.13966	1.5
195.28659	0.7
241.09384	0.6
275.20233	0.6
277.17191	0.7
293.21274	1.1
295.22797	12.5
296.23172	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	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25050	2.5
52.81358	2.6
56.61753	2.9
59.01385	100.0
63.21265	2.9
71.54176	4.7
73.11334	2.7
76.42152	2.6
87.73940	3.1
92.16267	2.6
94.92531	4.1
96.96026	16.6
123.88702	2.9
127.23837	2.9
171.86090	2.7
175.25345	2.6
175.82864	3.1
177.03427	2.6
185.63628	2.8
190.53075	3.0
209.66180	2.8
293.21188	4.3
295.22742	4.1
341.21512	8.3
369.13174	3.7
411.11856	3.9
412.35950	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72123	0.7
57.03436	1.0
59.01380	3.1
60.99315	1.6
62.98278	0.7
66.50266	0.7
71.01382	1.1
71.53171	1.4
72.00917	11.4
76.90656	0.8
84.60068	0.7
88.00399	1.4
88.98820	14.0
89.02478	1.3
91.05581	0.8
96.96024	3.0
123.04530	1.3
124.04881	1.5
125.25522	0.7
147.04533	37.4
148.04863	1.8
164.07178	100.0
165.07527	4.5
168.01601	0.9
182.30249	0.8
191.05664	0.8
200.59964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59124	0.3
59.01118	0.5
59.01385	7.3
63.02387	1.0
63.69483	0.3
69.49147	2.0
71.01398	0.5
83.01381	1.1
83.79542	0.5
94.19329	0.3
98.19978	0.7
107.01398	1.8
108.90120	0.4
117.03464	1.5
148.01703	0.4
149.02443	1.4
149.99562	0.7
151.00388	3.5
154.29327	0.4
171.04498	0.9
172.05334	0.7
173.04608	0.4
183.04739	0.5
184.05359	0.4
191.05498	0.6
195.04424	0.6
196.05284	0.8
209.11853	0.7
211.03986	1.7
212.04680	0.7
225.05655	0.4
239.03426	3.5
240.04317	3.9
257.08292	0.5
267.03030	1.6
268.03778	100.0
268.11060	5.6
269.04459	31.0
270.04932	2.0
311.05768	1.0
431.09845	73.7
432.10217	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	431.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03376	0.9
59.01375	1.3
60.99313	14.4
66.78934	0.9
69.63733	2.8
69.64143	2.7
72.84246	0.8
77.25936	0.8
87.00861	1.6
88.98813	100.0
89.02441	7.6
89.99143	1.8
91.04942	0.9
92.95235	1.1
96.96046	1.7
152.69707	1.1
155.91609	1.0
220.22205	1.1
341.10733	2.0
387.66367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73765	0.6
56.92312	0.5
59.01384	7.8
61.01808	0.7
61.80659	0.5
68.79833	0.5
70.23068	2.1
71.01382	1.6
79.58060	0.5
86.97224	0.6
89.02444	1.6
91.01874	1.1
91.04018	2.4
93.03467	3.4
96.99322	1.0
105.48022	0.6
108.02165	0.7
108.14761	0.5
111.17294	0.7
117.03438	1.3
119.03496	0.6
119.05024	2.2
123.04528	3.8
124.01704	0.7
130.04250	0.9
131.05029	0.9
133.02974	2.3
134.03731	2.1
143.05031	6.0
145.02979	4.3
146.03693	2.6
148.01707	1.1
154.12975	0.5
158.03708	2.3
159.04526	5.2
161.06116	1.0
163.04018	2.3
171.04437	0.8
173.06076	1.4
187.03931	1.5
216.41263	0.5
225.05606	1.0
226.06367	68.7
227.06757	5.4
241.08719	100.0
242.09052	11.0
250.06390	0.7
251.07159	18.3
252.07898	9.0
253.08528	1.2
263.07126	1.1
265.08755	2.7
267.10297	1.8
279.06647	5.6
280.07401	10.1
281.07886	0.9
295.09750	13.1
296.10049	0.8
324.06296	3.0
339.08725	19.1
340.08978	2.7
357.09979	1.4
431.13583	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	431.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60952	0.5
51.74519	0.6
59.01387	6.3
59.59742	0.5
69.43690	3.8
69.44024	0.9
71.01363	1.2
80.61874	0.5
89.02448	1.0
91.01911	1.7
91.04021	2.7
93.03485	3.3
96.99337	0.9
117.03522	0.7
119.05034	4.8
123.04532	4.0
130.04260	0.6
131.05043	1.9
132.02161	1.0
133.02951	1.8
134.03784	3.0
135.04575	1.2
143.05035	5.2
144.05452	0.6
145.02956	3.9
146.03755	3.4
148.01674	1.6
158.03770	3.5
159.04527	4.8
161.06117	1.2
163.04013	3.3
173.06097	1.6
187.04039	0.7
193.05087	0.7
225.05557	2.0
226.06371	71.8
227.06732	4.8
237.07695	0.9
241.08719	100.0
242.09076	6.4
250.06459	0.7
251.07149	17.7
252.07922	8.6
253.08618	2.4
254.09422	0.9
263.07300	0.5
265.08664	2.5
267.10208	1.7
279.06635	6.2
280.07394	11.2
281.07727	1.2
295.09781	12.2
296.10107	1.0
313.10764	0.8
324.06439	2.5
339.04626	0.9
339.08755	18.2
340.09027	2.0
357.09763	3.3
431.13626	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	431.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
57.03408	0.9
58.81181	0.4
59.01381	10.1
60.99304	2.5
67.01900	5.5
69.03410	1.2
69.03769	0.3
70.99893	0.6
71.01381	3.3
73.02921	1.0
77.09611	0.3
81.03417	1.3
83.04984	1.4
85.02959	10.6
87.00883	8.8
88.98756	0.3
89.02386	1.1
92.49298	0.3
93.03467	38.8
94.03749	1.1
96.96021	0.5
98.00058	0.7
99.00841	1.5
99.04480	1.1
101.02406	1.2
109.02929	1.4
111.03851	0.4
111.04529	6.4
113.02396	1.2
127.04034	2.2
129.01907	1.0
132.02130	0.5
133.03027	0.4
137.02411	0.4
143.03499	0.6
155.03500	1.2
158.03702	0.4
159.04532	0.4
171.03017	0.6
171.04492	0.9
172.05313	1.8
173.04555	27.3
174.03308	0.4
174.04910	1.1
176.03952	0.7
184.05305	1.1
187.07689	0.9
191.05621	100.0
192.05959	3.9
198.06859	0.9
211.04095	0.3
213.09229	8.2
214.09564	0.5
227.03601	1.2
228.63338	0.4
229.08768	0.4
231.10246	8.7
232.10670	0.6
239.03508	1.0
242.05859	2.4
257.08212	32.1
258.08575	2.7
267.03015	0.8
268.03781	7.0
268.10938	2.2
269.04523	4.5
269.11444	0.4
270.63251	0.4
375.26367	0.4
431.13828	17.9
431.18558	1.3
432.14182	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	431.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22680	0.4
57.03439	0.6
59.01385	61.7
60.01714	0.5
60.99329	0.7
61.98846	0.4
67.01899	1.7
69.03466	0.8
69.48494	2.0
71.01392	4.6
73.02923	0.7
81.03459	0.5
81.72317	0.3
83.01409	0.4
83.05016	0.5
84.63695	0.3
85.02960	12.4
86.03305	0.4
87.00887	4.1
88.98824	0.5
89.02448	3.0
93.03468	10.3
94.03823	0.4
99.00891	0.4
99.04534	0.7
101.02461	2.4
109.02967	1.3
109.16905	0.3
111.04531	2.5
113.02482	1.7
119.03510	1.4
119.05007	0.4
127.04011	3.1
133.89738	0.3
155.03554	0.7
161.04530	0.7
163.56104	0.4
171.02971	0.7
173.04578	6.6
179.05652	0.7
184.78447	0.4
191.05627	100.0
192.05963	3.7
197.06094	0.5
209.11826	0.4
213.09236	8.1
214.09448	0.4
231.10217	0.6
242.67050	0.3
257.08215	26.4
258.08563	2.6
266.09445	0.8
267.09769	1.3
268.10303	1.8
269.04599	0.4
354.66156	0.4
431.13348	14.9
432.13608	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31768	0.3
55.01884	0.4
57.03455	0.6
59.01385	100.0
60.01712	1.4
60.53690	0.4
62.45924	0.3
63.67155	0.3
65.12505	0.3
69.03478	1.4
71.01388	13.1
71.55244	0.6
72.24547	0.3
72.99319	0.5
73.02954	11.0
73.03365	0.6
79.95768	0.4
80.96535	0.7
83.01398	3.5
85.02963	2.4
85.37352	0.3
87.00894	1.5
87.01389	0.3
88.69846	0.3
88.98808	0.5
89.02453	5.0
93.03465	2.7
95.01417	0.8
99.00911	1.0
101.02449	10.7
108.02201	0.7
109.02927	0.4
111.08176	0.9
113.02462	6.1
117.03461	4.1
119.03658	1.9
119.05038	12.9
120.05447	0.6
121.02974	15.1
122.03330	0.6
122.18771	0.3
125.02463	0.6
127.74189	0.3
131.03558	0.8
132.02165	0.7
133.02991	1.3
134.03760	10.8
135.04524	1.1
136.01678	20.9
137.02383	1.1
142.97859	0.3
143.03500	0.9
145.02968	9.9
146.03365	0.7
147.04549	0.8
149.04993	0.4
149.06110	2.9
151.04024	22.9
152.04390	1.1
153.09210	4.2
155.03566	0.4
155.10808	1.3
160.01671	1.9
161.02489	1.2
161.04576	4.0
163.04037	6.5
163.05287	0.6
164.04312	0.4
173.04579	2.0
175.04028	1.6
176.04166	0.4
177.05585	0.7
179.03688	0.4
179.05692	0.7
181.05048	1.6
191.05611	1.8
191.14368	0.4
193.05081	5.1
209.15526	3.1
210.16083	0.3
211.06129	4.5
212.06525	0.6
213.09378	0.5
219.06622	3.2
227.16479	0.5
235.06177	0.4
237.07779	0.9
249.07767	1.1
257.08319	0.6
267.08655	0.4
268.03900	1.8
269.04352	0.9
279.08765	5.9
280.09244	0.6
285.04242	0.5
297.13052	0.3
309.09943	0.7
329.16171	1.1
371.16763	0.5
371.20877	1.2
379.10876	0.3
398.72198	0.3
413.12476	9.6
414.12830	1.2
431.08780	0.7
431.14407	2.4
431.22925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03438	0.5
59.01386	100.0
60.01715	0.9
67.01894	0.5
69.03473	1.4
71.01391	11.4
71.54758	0.5
72.01749	0.4
72.99322	0.6
73.02957	10.1
74.96464	0.4
75.00871	0.5
79.95753	0.5
81.03491	0.4
83.01402	2.9
85.02956	2.9
87.00918	1.1
88.98848	1.2
89.02454	4.9
93.03481	3.0
95.01408	1.1
96.96064	0.5
99.00909	0.9
101.02461	11.7
101.03121	0.8
102.02769	0.4
108.02199	0.7
111.08232	0.6
113.02473	5.9
117.03474	4.5
119.03545	1.6
119.05037	14.7
120.05395	0.8
121.02973	14.1
122.03254	0.5
124.67101	0.4
125.02485	1.0
131.03578	0.6
132.02191	0.5
133.03009	1.4
134.03755	11.5
134.45483	0.4
135.04555	1.3
136.01678	24.5
137.02406	1.5
143.03532	1.3
143.15918	0.4
145.02974	10.5
145.06660	0.5
146.03323	0.7
149.04613	0.8
149.06119	2.8
151.04028	30.5
152.04373	0.9
153.09261	3.4
155.03543	0.6
155.10803	1.2
160.01692	2.2
161.02507	1.1
161.04573	3.9
163.04030	8.9
163.05269	0.7
164.04375	0.8
169.35800	0.4
173.04640	1.8
175.04039	1.7
177.05634	1.3
179.03452	0.7
179.05699	0.6
181.05164	1.2
191.05594	2.2
193.05070	5.5
194.05406	0.4
209.11934	0.6
209.15509	2.7
211.06133	5.5
212.06641	0.4
219.06625	3.9
227.16527	0.5
234.05632	0.8
237.07771	1.9
249.07785	1.4
268.03815	2.8
269.04678	0.6
279.08780	6.8
285.04199	0.5
307.08810	0.4
309.09872	1.0
321.72272	0.4
329.16125	2.0
371.20996	1.6
377.88638	0.4
389.21835	0.9
413.12485	14.0
414.12543	1.9
431.08746	0.7
431.13492	2.4
431.23349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
62.96392	0.3
70.84538	0.5
76.77747	0.2
78.95908	51.6
81.55456	0.2
96.96964	6.3
98.20248	0.4
127.48865	0.2
137.37692	0.2
145.06293	0.2
147.63748	0.2
150.98038	1.8
152.99591	100.0
153.99959	2.0
171.00644	4.1
277.21786	0.7
305.22043	0.2
431.22043	5.0
431.27972	0.4
432.22430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
59.88895	0.4
62.28995	0.3
69.22692	3.1
70.03674	0.3
72.01225	0.3
78.95908	72.2
96.96971	5.8
111.38824	0.3
123.05596	0.4
150.98041	2.0
152.99593	100.0
153.99947	1.6
171.00656	3.3
277.21674	0.9
296.55969	0.3
311.05640	0.3
431.21982	10.3
432.22333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03452	1.7
59.01386	100.0
60.01735	1.5
62.15001	0.5
67.01865	0.6
69.03459	0.7
69.36533	4.3
71.01393	13.5
72.48124	0.5
72.99316	1.6
73.02959	5.5
75.00882	0.6
79.95767	1.0
83.01421	1.9
85.02966	4.6
87.00892	2.1
88.98793	0.5
89.02454	6.2
93.03474	4.1
95.01400	0.9
96.96037	0.6
97.02972	0.9
99.00894	1.2
101.02460	10.8
102.98579	0.6
111.04571	0.8
113.02467	5.4
119.03555	2.4
119.23852	0.5
121.03054	0.7
125.02492	1.6
133.03008	0.7
135.04585	1.6
137.02451	1.2
137.09766	1.1
139.11324	1.2
143.03606	1.3
145.02985	0.5
149.04561	0.6
151.00427	1.0
155.03589	0.7
157.23672	0.5
159.03079	0.9
161.02469	1.4
161.04552	6.2
173.04572	3.6
176.04028	0.6
179.03516	0.9
179.05684	1.1
184.05125	0.6
185.62605	0.5
191.05632	5.7
203.41643	0.5
209.15440	2.5
227.16705	2.0
249.98283	0.4
257.08273	0.8
268.03891	1.5
269.80222	0.5
285.04007	3.1
335.07657	0.6
357.19202	0.8
371.20740	5.4
372.21182	1.2
389.21921	6.6
413.12900	1.1
431.09622	2.3
431.14047	1.8
431.23120	2.0
431.60303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94110	0.4
54.51880	0.4
55.01880	0.7
56.99805	0.3
57.03473	0.9
59.01385	100.0
60.01731	1.3
61.98837	0.8
67.01900	0.8
68.99831	0.4
69.03468	0.5
69.21104	2.1
69.21530	1.7
71.01388	17.8
72.99328	0.8
73.02955	6.4
75.00886	0.6
80.91738	0.6
80.96564	0.6
83.01403	2.5
83.05019	0.4
85.02966	6.0
87.00899	1.1
88.98831	0.9
89.02455	7.0
93.03474	2.7
95.01397	1.5
97.02963	0.7
97.90196	0.4
99.00908	2.0
99.04533	0.6
101.02455	10.1
101.03110	0.6
106.96308	0.4
109.02986	0.7
111.04543	0.7
113.02464	11.9
119.03527	2.6
119.05050	1.0
120.99676	1.2
121.02991	1.0
123.04551	0.7
124.01715	0.7
125.02456	0.7
131.03543	0.4
132.02216	0.8
133.02933	1.0
134.03746	1.0
135.04562	1.2
136.01726	0.6
137.02478	0.9
143.03529	1.8
145.03001	0.9
149.02461	0.4
149.04555	0.7
151.00394	0.4
151.04041	1.5
153.09221	3.7
155.03510	0.7
160.01740	1.3
161.02473	10.9
161.04533	5.4
162.02939	0.4
163.04051	1.2
173.02492	1.3
173.04535	2.6
174.03291	0.5
175.04010	2.9
176.04820	9.1
177.05309	0.5
179.03534	0.5
179.05667	0.9
189.05672	0.7
190.06316	1.9
191.03569	2.4
191.05663	3.6
191.07201	1.0
192.99713	0.5
205.05064	2.3
206.05856	1.6
209.15474	3.2
211.06035	0.5
215.07242	0.4
219.06633	0.4
220.07507	0.7
221.08192	3.2
225.05731	0.6
225.09308	2.0
227.16583	0.9
237.07721	0.9
241.08806	0.6
253.05116	0.9
257.08316	0.7
267.06696	0.5
268.03864	3.6
268.07443	0.8
269.04611	2.4
269.08249	1.5
281.04617	0.8
283.09750	0.9
285.04315	0.6
293.04736	0.5
295.06412	0.4
297.04102	1.3
309.04077	0.6
311.05701	1.2
311.09348	0.5
312.06375	0.7
323.09363	0.6
324.06424	1.0
326.07990	0.7
327.08841	1.4
339.08652	3.8
341.10440	0.5
342.11105	1.3
354.11169	2.8
357.13461	16.2
358.13879	1.8
369.13501	0.6
371.20718	4.0
372.21231	0.6
387.14832	0.6
389.21777	3.3
404.82675	0.5
413.12714	1.9
431.09216	2.1
431.23203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01726	0.9
65.09761	0.3
70.67275	0.9
71.01385	4.3
73.02950	2.0
83.01398	0.9
83.05031	0.4
85.02964	2.0
87.00884	0.4
88.98827	0.5
89.02472	2.3
93.03496	0.7
95.01413	0.4
96.96008	0.5
98.68557	0.4
99.00869	0.6
101.02454	3.9
113.02473	1.6
119.03550	1.4
119.05047	0.7
120.99651	1.8
129.17255	0.3
133.03006	0.5
145.02980	0.4
151.04021	0.8
159.03014	0.4
161.02487	0.6
161.04587	2.8
165.12891	1.4
173.04597	0.4
182.45634	0.3
188.13367	0.4
191.05698	1.5
191.14539	1.3
209.11858	0.4
209.15552	1.2
215.46233	0.3
224.08444	0.8
236.08640	0.4
239.10928	0.6
252.06941	0.4
268.03787	2.5
268.06421	0.3
268.11063	8.4
269.04642	1.1
269.11377	0.6
275.16687	0.7
284.03458	1.3
285.04117	0.9
293.17966	0.5
371.20877	1.4
431.09741	3.6
431.17026	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
56.05464	0.4
57.03458	0.5
59.01384	100.0
60.01710	0.9
60.73381	0.3
62.98710	0.4
65.39399	0.4
65.67245	0.4
69.03472	1.1
69.38384	3.1
70.15919	0.4
71.00783	0.4
71.01391	14.8
73.02953	15.2
79.95760	0.5
83.01399	4.4
85.02977	2.8
87.00900	0.7
88.98848	0.6
89.02447	5.7
93.03483	2.3
95.01407	0.9
97.02946	0.5
99.00925	0.7
101.02451	15.5
101.03114	0.8
102.02804	0.5
111.08175	1.1
113.02464	6.5
117.03472	3.1
119.03542	1.6
119.05039	10.7
120.05413	0.5
121.02965	15.8
125.02444	0.9
131.03516	1.4
133.02992	1.1
134.03758	9.4
134.04741	0.7
135.04544	1.6
136.01672	13.9
137.02434	1.0
143.03535	1.5
145.02948	6.5
145.03966	0.5
149.04610	1.4
149.06053	2.1
151.04019	18.7
152.04335	0.7
153.09241	4.4
154.09581	0.5
155.03667	0.4
155.10844	1.2
160.01660	1.9
161.02501	0.7
161.04564	5.2
163.04041	5.7
173.04622	1.0
175.04068	1.2
177.05644	0.9
179.05679	0.9
181.05161	1.5
191.05739	1.0
193.05063	3.5
209.15485	3.8
211.06113	3.9
219.06778	1.8
221.96428	0.4
227.16655	0.7
235.06119	0.8
237.07738	0.9
249.07780	1.3
268.03854	1.2
269.04645	0.8
279.08810	3.9
285.04196	0.9
296.31650	0.4
309.09909	0.9
326.85498	0.4
329.16129	0.9
346.84247	0.4
371.21030	1.6
389.21930	1.1
393.94070	0.4
413.12433	9.0
413.17422	0.5
414.12973	1.1
431.13641	1.7
431.23032	0.8
443.80215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33821	0.5
55.01885	0.5
57.03467	0.8
59.01386	100.0
60.01730	0.7
60.10011	0.5
61.98837	0.8
67.01901	1.6
69.03428	0.6
69.74699	3.0
71.01386	7.9
71.91987	0.5
73.02962	2.0
83.01410	1.1
83.05049	1.1
85.02961	11.6
87.00895	4.2
87.73276	0.5
88.98834	1.1
89.02446	5.6
93.03465	11.7
99.00916	0.9
99.04535	0.7
101.02450	4.1
109.02971	1.1
111.04525	2.1
113.02442	3.1
119.03546	3.5
119.05048	2.0
120.05416	1.0
125.02435	0.6
127.04087	2.6
129.01971	0.6
143.03516	0.9
155.03548	0.8
161.02452	0.8
161.04567	1.5
163.03989	1.6
164.04381	1.0
173.04564	7.4
179.03476	0.6
179.05612	1.2
191.05626	87.2
192.05934	3.3
196.21320	0.5
197.06075	0.7
209.11832	1.9
213.09215	6.7
231.10320	1.4
257.08218	23.2
258.08432	1.9
266.09436	0.9
267.09647	1.5
268.03964	0.7
268.10715	2.4
285.03961	0.8
431.13339	13.7
432.13641	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01385	100.0
60.01728	0.9
64.24489	0.6
71.01384	21.1
72.99314	1.0
73.02952	25.8
83.01395	7.7
84.01739	0.8
85.02970	4.0
86.54160	0.6
87.00878	1.3
89.02461	6.9
93.03485	1.0
93.68440	0.6
95.01392	1.2
96.96021	0.8
97.02961	0.8
98.20663	1.8
101.02454	23.3
101.03111	1.3
111.08150	1.5
113.02464	10.0
117.03529	0.8
117.06556	0.7
119.03516	3.4
120.35651	0.6
120.99647	0.8
123.04891	0.6
125.02469	1.0
126.32727	0.6
131.03545	2.7
135.03029	0.6
136.18509	0.5
138.50519	0.6
138.92340	0.6
143.03566	2.0
146.32954	0.6
149.02466	0.6
149.04617	1.7
149.34775	0.6
151.00375	1.2
153.09250	9.1
161.02515	0.9
161.04570	6.5
173.04585	0.9
179.05646	0.7
191.05696	2.0
209.11923	4.4
209.15466	5.5
227.03506	0.8
227.13023	0.8
227.16525	0.9
237.49417	0.7
239.03676	1.0
240.04358	0.9
252.92433	0.6
253.55214	0.7
268.03760	31.4
269.04514	18.9
270.05075	1.2
285.04108	0.9
286.30856	0.6
311.05801	0.7
355.04547	0.7
377.00885	0.6
389.22086	1.5
399.75604	0.7
431.09802	18.7
431.18839	0.8
432.10510	1.7
433.53421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19749	1.2
57.03444	3.5
59.01385	18.0
64.67853	1.4
66.55034	1.2
68.06308	1.2
69.03482	1.3
71.01381	1.6
71.54984	2.1
74.55475	1.2
93.03500	1.6
97.06595	10.3
123.08163	4.3
125.09740	100.0
126.10081	3.2
148.64034	1.5
148.65208	1.4
161.04599	1.8
169.08728	3.3
187.09773	72.6
188.10110	5.3
191.05609	4.7
261.13437	21.4
268.03714	2.0
269.04584	1.7
287.97394	1.3
322.52377	1.4
431.14081	2.5
431.22861	47.3
432.23199	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	431.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37779	0.3
55.01892	0.8
57.03442	0.9
58.00597	1.4
58.85760	0.4
59.01385	33.2
61.44966	0.3
61.60649	0.3
62.97876	0.3
71.01388	17.8
71.24906	0.9
72.99314	1.2
73.02951	1.4
75.28378	0.3
78.95911	2.1
83.01396	1.9
84.02166	1.2
85.02954	5.0
86.00060	0.4
87.00901	1.9
89.02452	13.5
89.13792	0.3
95.01393	1.7
97.02979	0.5
99.00916	0.6
101.02457	11.9
101.03117	0.8
110.09129	0.3
113.02466	5.4
119.03506	4.3
152.99591	4.5
166.82346	0.4
175.35240	0.4
194.08321	0.3
219.04648	0.4
223.20668	7.4
223.22658	0.6
224.21036	0.5
251.20227	3.5
252.20351	0.6
253.21761	0.9
265.21725	1.5
269.21228	40.1
270.21579	4.5
311.22180	0.8
431.26514	100.0
432.26849	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	431.3167
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
56.01735	0.7
59.01388	5.8
71.01395	1.0
71.53883	0.9
115.33757	0.6
123.02597	0.6
152.99596	0.9
413.30692	4.6
414.30493	0.8
431.31677	100.0
432.31967	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	433.0926
Annotation	2,3'-Dimethoxyisodiospyrin
Peak:m/z	Relative Intensity
54.48532	0.1
59.01119	0.2
59.01386	1.5
63.02403	0.4
65.00329	1.7
69.37345	1.2
69.51825	0.1
70.14814	0.1
78.92556	0.1
83.01398	1.1
89.07418	0.1
93.03482	0.2
105.03479	0.3
107.01395	3.2
109.02959	0.2
121.02975	0.6
125.02414	0.3
132.02158	0.7
133.02969	15.2
134.03346	0.6
136.28790	0.1
137.02470	1.3
143.05006	0.2
145.02986	0.2
147.04506	0.3
149.02455	2.6
149.06038	0.3
151.00381	9.1
152.00783	0.4
154.62605	0.1
155.05080	0.2
161.02448	0.1
169.06554	0.2
171.04507	0.5
172.42604	0.1
173.06035	0.3
175.02545	0.3
175.04022	5.2
176.04225	0.3
177.02013	0.3
183.04553	0.2
185.06078	0.4
187.04028	0.3
188.04826	0.2
189.05569	0.4
191.05576	0.5
195.04433	0.2
197.06119	0.4
198.03239	0.7
199.04021	4.2
200.04417	0.2
201.01949	1.7
211.04030	0.4
212.04672	0.3
213.05605	0.9
214.02789	0.2
215.03555	0.8
216.04308	0.4
217.05086	2.9
218.05423	0.2
223.04066	0.6
226.02699	0.3
227.03532	0.8
228.04102	0.1
229.05040	0.4
232.55122	0.1
239.03464	0.5
240.04291	0.4
241.05084	1.7
242.05594	0.2
243.03017	1.8
255.03003	5.0
256.03781	11.2
257.04398	1.4
267.03006	0.8
271.02481	0.3
282.05185	0.2
283.02515	6.4
284.03284	28.3
285.04053	100.0
286.04425	8.6
291.68884	0.2
317.52313	0.1
373.06897	0.2
375.04965	0.9
389.06589	0.6
390.07428	0.9
418.07135	0.2
433.09305	70.7
434.09610	9.9
440.73019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0932
Annotation	3,3'-Dimethoxyisodiospyrin
Peak:m/z	Relative Intensity
59.01389	3.2
61.98839	0.6
65.00298	0.5
70.91556	1.2
71.01385	0.4
77.08660	0.4
85.02962	0.8
93.03456	0.4
106.37274	0.5
107.01385	1.1
125.02445	1.0
135.04564	0.8
141.81499	0.5
149.02493	0.5
151.00343	3.2
161.02472	1.7
173.04568	1.7
176.11879	0.4
190.35831	0.4
191.05681	2.4
209.06113	0.7
237.05583	1.1
238.06409	0.6
256.03708	2.0
265.05115	1.2
266.06012	2.1
269.04385	2.7
284.03235	2.1
285.03778	0.6
297.04102	6.1
298.04648	1.3
335.05103	0.6
343.06171	0.5
345.07620	1.2
350.07953	0.6
361.07184	10.7
362.07770	1.7
371.05502	0.8
372.06305	1.5
373.07117	3.0
389.06671	3.6
390.07419	3.5
400.05853	1.9
401.06693	5.2
402.07077	1.2
405.05899	0.6
417.06192	9.6
418.06952	46.5
419.07391	6.7
433.09302	100.0
434.09616	14.5
449.80759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.1
57.41292	0.5
59.01387	12.9
61.98832	1.0
63.02391	1.2
65.00327	4.7
71.01383	3.2
71.54586	0.7
73.02942	1.0
76.05206	0.5
83.01403	2.6
85.02949	2.1
88.77515	0.4
89.02458	0.6
89.78135	0.4
93.03466	2.3
96.96041	0.6
97.02969	0.4
99.04533	1.9
101.02463	2.4
107.01414	6.2
108.02247	0.6
109.02959	3.0
111.00752	0.4
113.02473	0.4
117.06953	0.6
121.02970	1.4
123.04626	0.4
124.01672	1.1
125.02452	2.9
133.02980	1.3
135.04526	1.5
137.02457	1.1
142.12634	0.4
145.02977	1.0
146.03734	0.5
149.02478	0.7
151.00386	16.9
152.00848	0.6
161.02411	2.1
165.01909	1.7
173.04570	3.9
177.02017	0.8
177.22412	0.4
179.03502	1.4
191.05670	3.4
192.06012	0.7
195.32870	0.5
196.05229	0.6
199.03943	0.5
209.06046	1.5
211.04077	0.8
221.06160	0.9
224.04803	0.5
225.05722	0.5
227.03374	0.9
229.14444	0.8
235.03987	0.6
237.05649	2.1
238.06331	1.0
239.03458	0.8
240.04205	0.5
241.05025	0.8
248.04782	1.5
249.05565	4.1
251.03593	0.8
252.04274	1.1
253.05028	2.2
255.02934	0.7
256.03903	1.1
265.05075	4.3
266.05838	12.9
267.03198	0.4
267.06598	3.5
268.03781	0.6
269.04529	1.8
279.02856	0.6
280.03619	0.6
281.05136	0.7
281.08096	3.8
282.01855	0.5
283.02209	0.5
284.03284	1.1
284.18951	0.5
285.04117	0.7
289.16507	0.6
289.94467	0.5
292.03772	1.0
293.04526	1.0
295.02530	1.6
296.03253	3.0
297.04022	4.2
298.04813	0.7
305.04349	0.5
307.06232	0.6
308.03281	4.7
309.04053	6.5
310.04306	0.7
311.05609	1.3
323.05600	6.7
332.06644	0.5
343.06241	0.6
345.07596	0.9
347.20657	0.8
353.16168	0.6
357.56161	0.6
361.07166	3.2
362.07822	0.7
369.23099	0.5
371.05731	0.7
372.06503	1.3
373.07175	2.3
388.17752	0.5
389.06693	1.5
390.07611	1.0
400.05768	2.4
401.06680	5.8
402.06918	1.4
417.06107	5.4
418.06958	21.6
419.07358	2.5
433.09296	100.0
434.09546	14.8
434.18594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1486
Annotation	5,6,7,2',3',4',5'-Heptamethoxyflavanone
Peak:m/z	Relative Intensity
59.01383	43.7
70.08245	12.4
70.55270	12.9
71.00777	17.0
71.01064	12.6
71.01396	14.9
85.02932	14.9
98.02251	13.4
101.02450	15.5
111.19083	14.5
118.60255	12.4
152.29153	11.6
158.50790	15.5
161.02510	29.0
173.66464	13.4
191.05583	42.1
215.00204	22.6
224.98282	12.3
258.99081	16.4
291.94867	15.8
397.16971	59.9
433.04599	34.5
433.14792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.7
59.01385	100.0
60.01724	1.2
64.73868	1.4
66.48548	1.1
67.15051	1.2
69.92343	1.3
70.71481	3.2
71.01392	12.3
72.97513	1.3
73.02947	4.5
74.00047	1.4
79.44404	1.1
79.95744	3.0
83.01392	1.3
85.02973	4.2
87.00904	2.4
88.75309	1.2
89.02469	4.6
89.36281	1.0
93.03452	7.2
95.01348	1.1
95.95227	1.7
96.96000	13.2
99.00903	1.2
99.92574	1.6
101.02439	5.8
113.02457	3.3
115.92080	3.7
116.92115	1.7
116.92877	16.8
120.01225	1.8
123.00896	1.5
133.03003	2.0
137.02428	2.1
151.03960	1.3
153.05516	1.5
155.80855	1.2
161.02403	1.9
161.04585	1.7
165.80026	1.2
173.04640	6.7
179.05711	1.2
191.05623	10.3
197.11728	1.5
221.04266	1.5
227.82628	1.3
241.08676	1.4
242.09009	1.3
269.47052	1.3
281.06705	1.4
313.07150	1.8
331.17767	1.9
341.10251	1.3
391.19641	1.4
432.57300	6.2
433.07449	2.2
433.20599	4.4
433.75555	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	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84339	0.4
55.01889	0.5
57.03452	0.5
59.01385	100.0
60.01711	1.3
65.00341	1.6
69.03466	0.5
69.72231	1.0
69.72641	1.0
71.01388	9.4
72.99294	0.6
73.02947	6.7
73.17229	0.4
76.84026	0.4
83.01399	3.5
85.02950	3.9
87.00899	0.8
87.04509	0.5
89.02451	5.3
89.39264	0.4
93.03450	2.6
95.01391	0.8
97.02997	0.5
98.20631	0.8
99.00916	0.7
101.02447	8.2
107.01411	1.5
108.02233	0.5
113.02453	4.9
119.03514	2.1
119.05024	4.1
151.00378	6.8
161.02477	1.0
161.04558	1.9
164.01155	0.6
173.04550	1.3
176.04094	0.6
177.01987	1.1
179.05675	1.1
191.05637	8.3
197.11905	0.7
211.13391	0.8
259.09839	1.0
268.03918	0.4
269.04285	0.4
271.06149	13.5
272.06625	1.2
370.34821	0.5
373.14557	0.4
373.18524	1.6
373.22589	3.0
391.19110	2.4
391.23511	1.6
392.19818	0.5
415.19897	2.2
433.11874	3.0
433.20761	36.1
434.21234	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	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94280	0.3
54.74256	0.3
59.01385	100.0
60.01721	1.2
66.19450	0.3
69.31996	2.6
69.59748	0.3
71.01403	0.8
73.02965	1.0
79.20408	0.3
85.02974	0.5
89.02456	0.5
101.02457	0.9
103.41272	0.2
113.02488	0.4
119.03513	0.2
128.03520	0.3
145.88994	0.3
154.08226	0.2
161.04550	0.4
191.05562	0.5
197.11743	0.3
207.06607	0.3
219.34186	0.3
221.96402	0.3
242.80934	0.3
244.37495	0.3
331.17361	0.3
373.18503	0.3
391.20081	0.4
433.15005	0.8
433.20679	3.9
434.21124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31985	0.4
59.01387	100.0
60.01720	0.8
66.23835	0.4
69.68025	2.4
69.68409	0.8
71.01398	1.7
71.14058	0.4
73.02950	0.8
73.65453	0.4
79.51141	0.4
80.71058	0.5
85.02960	0.6
89.02503	0.7
101.02505	0.7
113.02496	1.2
119.03555	0.7
145.18626	0.4
161.04657	0.5
179.05611	0.5
191.05602	0.7
331.17719	0.7
351.92587	0.5
373.18713	0.6
433.25058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60068	0.4
57.03456	0.7
58.05088	0.4
59.01387	100.0
60.01723	0.8
67.01884	0.5
69.03466	0.6
71.01392	7.2
71.54662	0.5
72.99325	0.5
73.02972	1.4
76.76559	0.4
79.85100	0.4
80.30424	0.4
83.01411	1.7
83.05045	0.4
85.02951	3.5
87.00883	0.8
89.02441	2.2
93.03505	2.0
93.38288	0.4
95.01410	2.4
96.96030	1.7
99.00902	0.8
100.30039	0.4
101.02444	4.5
108.02222	0.6
109.06626	0.4
111.00927	0.7
113.02457	3.2
116.92879	0.5
123.00908	1.5
123.04507	0.4
124.01715	0.9
125.02452	0.7
127.00404	0.6
128.03601	1.0
133.03004	0.9
135.04578	1.3
137.02434	0.5
138.03217	0.5
139.00392	1.9
139.04086	0.5
143.03499	0.7
145.02937	0.4
152.01186	0.6
153.01915	0.5
154.02751	0.4
161.02493	2.1
161.04651	1.2
163.04013	0.7
166.02774	0.8
167.03482	0.6
173.04565	2.0
175.04082	0.5
177.01929	0.6
177.05643	0.5
178.02725	1.5
179.03511	0.9
181.05132	1.0
191.03677	0.8
191.05653	3.4
193.05098	2.4
197.11839	5.5
203.03532	0.8
207.06680	1.4
218.05908	0.7
229.14571	0.6
229.18172	1.6
335.07886	0.6
335.17380	0.9
340.09451	0.4
343.08215	0.7
358.10748	1.4
369.23151	0.5
373.09116	0.7
373.13107	5.5
373.22400	6.1
374.13486	1.1
374.22479	0.7
391.19565	0.5
391.23657	4.3
392.24100	0.6
403.10257	1.3
403.14804	2.4
418.12662	2.5
433.15158	13.0
433.20758	1.8
434.15497	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	433.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.00751	0.7
58.00586	1.6
59.01389	38.6
65.53202	0.6
70.19851	1.1
70.20201	2.2
71.01389	16.1
72.99311	2.0
73.02947	1.2
78.95908	13.6
83.01398	1.7
85.02969	3.8
87.00872	1.2
89.02460	13.0
94.14028	0.7
95.01399	1.9
96.96973	1.6
97.79474	0.8
100.86275	0.7
101.02457	10.4
113.02480	4.8
119.03507	3.9
127.75102	0.8
150.66014	0.7
152.99603	22.8
153.99847	1.0
155.00003	1.6
171.00662	1.5
184.69389	0.6
223.20731	1.5
225.22275	26.5
226.22603	2.1
253.21710	5.7
255.23198	0.8
267.23233	1.5
271.22806	39.9
272.23160	4.3
282.75757	1.1
433.28079	100.0
434.28360	12.4
449.50659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87669	1.4
59.01387	28.5
61.98817	3.0
63.38621	1.5
69.03440	2.9
71.01369	2.6
80.54251	1.4
85.02973	1.5
93.03470	5.8
99.04539	2.0
101.02439	1.6
107.01388	2.5
117.03466	3.6
119.05038	47.8
120.05417	2.7
125.02496	2.0
126.76809	1.7
131.17511	1.5
133.02977	12.2
134.03723	2.1
135.04555	30.8
137.02463	4.7
145.02980	17.7
151.00400	9.3
161.02452	35.7
161.06114	5.9
162.02783	2.4
163.04015	47.1
164.04347	2.8
173.04556	4.2
173.06018	1.8
176.54219	2.0
177.01933	5.5
179.03510	8.1
191.05608	9.6
199.09764	1.5
201.09268	3.0
216.66115	1.5
229.08716	3.2
235.06075	6.4
253.07172	26.5
256.03516	2.9
257.03860	3.0
258.04324	2.2
284.03073	6.2
285.03622	8.7
286.03912	7.6
309.04074	2.1
336.07956	1.6
337.07333	3.4
381.09863	40.4
382.10126	4.2
399.10864	100.0
400.11078	14.6
427.27008	2.0
435.09946	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	435.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
59.01119	1.1
59.01389	17.5
70.54936	2.7
71.01393	4.4
73.02950	2.1
81.03490	1.1
83.01353	0.8
85.01618	0.7
85.02965	10.8
87.00898	2.0
89.02429	1.1
91.01897	1.0
93.03470	13.5
95.01376	1.7
96.96013	1.3
97.02997	0.9
101.02453	2.7
108.02186	26.2
108.02924	1.3
109.02966	94.5
110.03309	3.5
111.04551	1.3
113.02492	2.1
116.92853	4.6
121.02930	0.8
123.00899	2.3
126.94739	0.8
127.04022	2.0
135.04517	1.1
136.01701	1.1
137.02466	23.4
137.09682	0.8
151.04034	2.2
152.01163	32.7
153.01955	100.0
154.02278	3.8
157.30563	0.9
158.63121	1.0
161.02457	3.4
165.01944	18.8
173.04527	3.6
173.05992	1.7
179.03520	8.3
180.04314	9.9
181.04930	0.9
188.04890	1.1
191.05634	78.6
192.05920	3.9
194.05823	1.2
195.03003	1.5
195.06656	12.7
199.07672	1.4
199.09708	1.1
209.08182	2.0
210.05348	2.6
214.02739	11.1
215.03148	0.8
217.08739	3.4
225.07680	10.3
243.06624	11.2
273.07648	1.4
280.00330	1.0
281.06653	4.3
307.11923	0.8
315.07233	13.8
357.09702	1.7
375.16605	1.4
387.14691	3.5
435.09323	79.2
436.09662	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	435.106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06485	0.7
55.74787	0.7
59.01375	2.3
63.85677	0.8
65.00307	1.1
69.03473	5.4
71.54417	1.3
74.61769	0.7
83.01381	1.2
83.35522	0.7
93.03455	2.2
100.24818	0.7
113.02454	2.6
117.03495	14.6
119.05044	33.0
120.05331	1.0
121.02147	1.0
121.02967	7.8
123.04530	2.3
132.02184	2.8
132.05862	0.9
133.02979	21.8
134.03780	4.3
135.04514	1.1
136.01692	1.0
137.02429	2.2
143.05008	1.1
145.02972	67.5
145.06653	1.8
146.03305	3.9
147.04509	2.3
149.02432	1.5
149.06079	1.4
151.00385	2.8
151.04071	1.1
159.04521	1.5
160.01689	13.7
160.05286	1.5
161.02397	2.9
161.06161	1.2
162.03033	1.2
163.04045	6.4
164.91696	0.7
173.04648	1.1
175.04024	10.9
175.07535	1.2
176.04344	0.9
177.01927	1.7
177.05573	1.0
178.02711	0.9
179.03522	0.9
182.18535	0.7
185.00699	1.4
185.02225	17.4
188.00928	4.3
190.06436	0.9
200.00935	29.2
201.01347	2.2
201.09148	1.3
204.04170	0.9
215.03281	9.6
219.06609	10.6
224.75322	0.7
234.05380	8.7
235.05922	1.4
237.07645	3.4
241.12135	1.1
242.22899	0.8
249.07733	6.8
269.11765	1.9
287.04645	1.5
293.06628	0.9
353.78342	1.0
377.74487	0.8
381.09869	7.5
382.10059	1.8
399.10907	5.9
417.13489	1.3
419.79599	0.8
420.08258	34.5
421.08859	4.7
435.10565	100.0
436.10837	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	435.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79088	3.7
54.77322	3.4
58.54388	3.6
59.01386	56.1
61.98822	14.7
69.91559	17.4
71.01389	10.7
73.02898	3.4
74.99070	4.2
85.02519	3.4
85.02954	18.3
89.02435	7.2
96.96030	19.2
101.02473	6.7
104.84627	4.8
119.05041	26.2
125.02477	4.7
129.01970	20.4
143.50032	4.2
145.02989	34.2
161.04536	5.2
163.04013	8.6
191.05632	5.9
237.07712	100.0
238.07899	9.4
272.54672	4.6
305.08859	5.0
323.13251	3.8
355.80441	3.7
375.06790	4.8
375.16504	5.3
443.60254	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	435.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	50.9
61.98826	20.9
71.01385	16.9
71.53764	9.8
76.04018	6.3
79.95734	6.2
85.02962	6.5
87.00896	10.8
93.03462	9.3
96.96036	52.9
98.73421	6.4
101.02447	7.2
119.05063	28.0
128.03532	7.7
145.02950	31.6
161.04539	6.8
163.04018	15.8
191.03789	6.2
191.05608	19.8
212.80627	5.9
237.07687	100.0
238.08061	7.5
271.06064	11.7
301.10870	7.9
421.64758	6.4
435.10535	30.6
436.12561	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	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	5.7
59.01385	100.0
69.36778	25.3
69.62379	3.4
71.01389	24.0
72.99305	6.3
73.02946	9.5
74.99094	3.7
83.01365	3.4
85.02957	6.0
86.10538	3.1
87.00886	4.4
89.02439	15.3
93.03455	5.3
95.01425	3.1
96.96010	12.9
97.33213	3.2
101.02470	17.8
110.72474	2.9
113.02474	15.0
117.03458	11.7
119.03532	5.7
119.05064	20.5
122.03722	5.6
123.00874	4.4
125.02459	5.5
132.02997	3.8
135.03046	4.3
145.01894	5.9
145.02977	74.6
146.03226	4.1
153.05710	3.8
157.49895	4.0
161.02457	5.9
161.04501	6.4
163.04019	31.8
166.02667	3.3
169.01393	3.9
174.16351	3.3
187.13477	4.2
191.05649	17.5
199.09763	5.5
255.08888	11.7
263.05618	4.0
281.06537	3.6
331.17526	5.4
349.18854	8.7
391.19394	4.2
399.13007	82.5
400.13339	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	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78378	0.5
52.43194	0.4
57.03458	0.9
59.01387	100.0
60.01716	1.2
60.99351	0.6
61.98838	0.5
67.01910	0.8
69.72828	2.6
71.01397	5.7
73.02969	2.7
73.03331	0.4
75.28802	0.4
83.01397	0.7
83.05080	0.8
85.02971	3.3
87.00885	1.3
87.04533	5.1
89.02449	2.5
93.03472	5.6
95.01482	0.5
96.96044	1.5
99.00902	1.0
101.02447	3.9
107.19701	0.6
109.02998	0.6
111.00942	0.6
111.04559	1.2
113.02432	2.1
119.03568	0.7
120.99671	1.1
125.02471	0.8
133.02957	3.3
135.04530	4.2
137.02518	1.7
143.03510	0.6
155.03503	1.2
161.02463	11.9
161.04575	1.0
162.02831	1.7
173.04568	13.9
174.04944	1.1
176.04037	3.6
179.03505	3.5
191.05621	8.9
191.07185	0.7
211.19629	0.4
215.12880	0.5
227.07246	0.8
250.25528	0.6
270.16846	0.4
273.65152	0.6
333.19260	0.7
335.07819	3.6
354.16867	2.5
354.67166	1.2
355.13965	1.1
355.17859	1.3
355.24832	0.8
373.25897	2.2
375.20193	2.9
375.27664	1.0
417.21594	0.6
435.13531	0.5
435.22809	8.7
435.69846	1.0
436.22882	1.0
446.23563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2523
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
59.01376	1.7
78.95911	55.8
87.20792	0.6
94.55759	0.6
96.96964	7.3
100.62599	0.5
101.66825	0.5
103.43790	0.6
103.86993	0.5
111.09263	0.5
123.22449	0.6
136.95253	0.6
150.98061	2.1
152.99594	100.0
153.99957	1.6
154.30457	0.6
171.00620	3.5
202.14775	0.7
229.00232	0.9
267.23273	0.7
281.24899	1.2
413.32333	0.7
435.25177	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	436.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
69.10081	0.2
69.24922	0.6
69.25329	1.9
71.01386	0.3
77.39425	0.2
78.95909	20.4
83.60686	0.2
94.69099	0.2
101.40414	0.2
108.09944	0.3
112.23350	0.2
122.00137	1.0
134.98544	0.3
140.01212	5.0
152.99629	1.6
166.02788	0.3
196.03804	11.1
197.04092	0.4
214.04865	2.7
220.92696	0.2
221.19104	0.9
226.71223	0.3
239.20171	100.0
240.20500	8.6
310.49588	0.3
436.24695	19.8
437.25009	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91279	0.2
59.01385	0.8
59.89212	0.1
69.29482	0.2
70.48859	0.2
71.01379	0.3
71.23528	0.1
71.31004	0.4
79.95751	6.5
89.02471	0.2
93.03466	0.3
96.96022	100.0
97.95964	0.4
106.93880	0.2
110.97597	0.5
129.43256	0.2
137.02432	0.7
151.04080	0.2
161.02467	0.5
165.05894	0.2
166.89658	0.2
173.04579	0.7
174.04906	0.2
175.03973	0.2
195.13916	0.2
209.97563	0.2
219.02107	0.2
219.96646	0.2
269.08093	0.3
279.06744	0.4
294.08981	0.2
297.07739	1.5
298.08310	0.3
312.10092	1.0
327.12488	0.4
335.07751	0.4
355.14005	0.3
355.64255	0.9
356.14337	0.2
403.37753	0.2
422.06998	0.2
437.09140	29.8
438.09464	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	437.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34949	7.5
55.66035	6.9
56.11493	8.5
59.01384	100.0
69.62753	49.1
71.01401	12.8
77.67196	7.0
79.01917	8.2
95.05136	11.5
106.46325	7.9
112.69614	8.4
183.02745	8.1
315.17889	9.6
349.84363	7.9
411.16812	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	437.1587
Annotation	Ugonin N
Peak:m/z	Relative Intensity
53.90374	3.7
55.02119	3.8
57.03436	6.6
59.01383	34.4
61.98830	8.7
63.02367	3.8
69.41440	26.3
71.01391	12.3
78.95950	4.0
87.28252	4.1
89.02467	8.0
93.03504	6.7
96.96012	13.0
100.89851	3.7
101.02458	7.6
113.02461	7.6
119.05022	7.5
144.84644	4.3
185.02170	6.6
191.05618	12.8
193.04974	5.4
237.07689	10.5
365.10339	25.3
378.98032	4.2
437.10092	10.0
437.15768	100.0
438.16150	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	438.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08566	1.7
54.65838	2.0
59.01383	10.5
69.26064	17.3
71.01370	4.4
78.95898	2.2
79.68485	2.0
79.95757	1.6
85.02948	3.3
93.03446	4.0
96.96021	62.8
96.96992	6.8
101.02435	4.1
120.01264	100.0
120.04575	2.5
121.05327	2.3
122.06101	5.4
134.06097	8.9
136.04076	27.2
136.07703	44.8
137.02455	3.4
137.08075	2.5
138.05630	2.9
161.02444	2.5
170.02826	2.4
173.04541	3.8
174.03448	1.8
175.03911	2.3
189.01981	8.5
191.05650	18.6
195.06694	2.3
201.07845	2.8
202.48085	1.9
212.10876	6.5
221.04576	2.4
226.07425	2.7
230.11867	11.2
239.08304	3.6
240.09045	6.2
247.02229	2.1
254.09445	3.4
255.11409	74.0
256.11774	6.3
269.11969	2.3
273.12482	50.4
274.12741	6.0
284.13638	2.5
298.15662	27.7
299.10425	13.9
299.15860	2.2
317.11456	6.6
333.09171	5.6
342.14636	23.4
343.15033	3.2
351.67770	1.8
440.28690	1.9
445.02240	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	438.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22039	2.0
72.00327	0.2
78.95909	18.5
80.23992	0.2
84.32647	0.3
122.00146	0.9
140.01195	5.0
152.99580	1.3
175.81850	0.2
192.48289	0.2
196.03798	9.1
211.57437	0.2
214.04874	1.9
235.66875	0.2
241.21738	100.0
242.22078	8.6
251.34425	0.2
372.06848	0.3
438.26251	22.5
439.26563	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	439.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54147	0.6
71.09811	1.3
75.16644	0.6
78.95912	46.6
79.95753	1.7
84.83092	0.6
96.96019	83.1
96.96970	100.0
199.02049	0.6
207.49962	0.6
207.91460	0.7
439.08502	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	439.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72584	0.5
58.88998	0.5
58.89963	0.5
59.34500	0.5
59.91573	0.5
70.51618	1.4
70.51956	0.6
76.27466	0.5
78.95913	40.2
79.95754	2.3
88.37135	0.5
96.96017	100.0
96.96969	87.4
108.29427	0.5
110.79437	0.4
117.16560	0.5
118.86105	0.5
158.82379	0.5
246.55618	0.6
304.63937	0.5
429.72299	0.5
439.08835	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	439.075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86981	0.3
59.93100	0.4
62.78901	0.3
67.24312	0.3
69.17912	3.2
69.18309	0.9
78.95915	23.5
79.95756	2.2
96.96021	100.0
96.96970	50.5
151.89279	0.5
168.90326	0.4
217.00404	0.5
287.06741	0.5
288.82376	0.4
373.44507	0.4
439.08542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66486	0.5
70.66830	0.9
71.14702	0.3
78.18477	0.3
78.95913	50.2
79.95747	1.4
96.96027	64.8
96.96974	100.0
98.09145	0.3
107.48447	0.3
115.17373	0.4
270.61673	0.4
439.08817	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	439.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.3
59.48251	0.7
61.80745	0.7
61.98819	1.4
66.16905	0.8
70.75525	1.9
71.01395	6.2
72.99326	1.7
73.02956	1.0
73.44871	0.7
74.37234	0.8
77.18766	0.8
78.95918	7.9
79.95731	2.3
83.01377	1.3
85.02959	2.3
89.02453	3.5
92.89095	0.8
93.03458	1.7
95.01398	0.9
96.96024	100.0
96.96937	13.0
99.00903	1.5
101.02423	3.8
113.02451	1.6
118.96632	2.5
122.03751	1.0
123.00871	0.8
125.02427	0.8
127.13364	0.8
137.02475	2.1
138.03268	0.9
139.00366	1.6
143.03412	0.9
149.02455	4.5
150.03259	10.4
152.01155	1.0
161.04494	1.8
164.04791	1.4
165.01962	6.9
165.05603	11.3
167.03471	1.8
180.04308	5.6
191.05627	2.1
193.01399	2.6
195.06644	18.8
196.06990	1.5
203.62245	0.8
208.03781	5.2
217.00246	1.7
223.06105	13.2
224.06528	0.9
229.00224	1.0
233.04622	1.0
277.12845	1.1
331.11899	1.2
391.14017	2.2
403.12518	5.0
439.17688	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	439.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84168	0.4
69.46021	3.5
79.95744	56.0
80.96519	0.8
83.14187	0.4
95.95245	16.7
96.96021	100.0
108.02179	0.6
109.96815	0.5
110.97589	6.1
137.02473	2.6
141.95753	1.2
149.99937	1.5
177.05563	1.1
178.06232	0.5
193.83942	0.4
230.29021	0.5
259.02716	1.9
273.04480	0.6
308.15347	0.5
424.08499	2.3
439.10696	88.6
440.11008	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	439.1741
Annotation	Sophoraflavanone D
Peak:m/z	Relative Intensity
59.01385	10.8
61.98816	2.5
71.01395	4.6
71.54316	1.7
72.99345	1.3
78.95925	3.8
79.95741	3.0
80.44229	1.1
83.01412	1.3
85.02932	2.6
89.02457	1.5
93.03477	2.6
96.96021	100.0
96.96918	6.7
101.02465	4.3
113.02472	2.0
115.31546	1.3
118.96684	1.9
119.03506	1.6
137.02435	1.7
161.04526	2.0
162.03033	1.5
167.03400	1.3
173.04521	1.9
191.05585	11.1
235.11934	1.9
247.02286	1.4
397.17239	2.5
407.21759	1.4
439.17419	20.9
440.17496	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74012	4.0
59.01389	100.0
61.98822	11.4
67.39131	4.3
71.01380	12.9
73.99630	4.6
79.95744	5.1
83.01387	5.4
85.02940	5.5
93.03461	15.6
96.96017	64.4
96.96989	4.7
102.05625	14.3
104.09006	4.9
108.57556	4.7
111.04488	4.6
117.03455	4.9
119.05098	7.5
119.37469	4.1
128.03529	14.3
133.02956	17.6
134.03793	10.0
135.04501	9.3
137.02434	15.6
161.02350	7.8
173.04541	18.4
177.01895	5.8
178.02708	15.9
179.03348	6.4
191.05620	19.4
192.05960	6.1
195.83224	5.4
306.07489	47.2
308.01819	5.4
310.78204	5.3
403.30145	5.1
439.13995	19.2
440.26389	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	441.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.6
59.01389	12.3
61.98835	5.1
67.44212	0.5
69.15575	6.2
70.44270	0.5
71.01383	3.7
72.39746	0.7
73.02947	2.0
79.95747	2.7
81.95306	2.1
83.01392	0.8
85.02945	1.4
89.02457	1.8
93.03456	1.3
96.96025	35.7
98.95601	4.8
98.96417	1.0
99.04537	1.3
101.02447	4.0
108.02180	0.6
109.02951	2.8
113.02442	1.1
117.03485	16.5
118.03804	1.1
118.98044	0.8
119.05041	80.7
120.05386	4.5
121.02982	1.1
128.03477	0.6
133.02969	1.0
135.04543	2.6
136.01666	1.2
145.02969	55.3
146.03331	2.7
161.02467	0.9
161.04559	1.1
162.03224	0.7
163.04027	100.0
164.04407	4.8
166.06372	1.1
167.03532	0.7
179.03519	2.2
191.05676	1.6
214.09001	0.6
218.22462	0.6
219.06601	0.7
235.08368	0.9
361.13019	3.0
379.16333	1.0
381.12067	3.4
399.12991	4.1
441.14337	33.8
442.14438	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	441.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.4
63.22819	0.3
69.03448	0.6
71.01386	4.0
73.02956	3.9
75.60095	0.3
83.01388	1.0
85.02953	1.4
87.00884	0.4
89.02460	0.6
91.04018	1.0
93.03466	0.4
96.96017	6.0
98.95599	0.9
99.00892	0.4
101.02448	4.1
109.03004	0.4
113.02463	1.5
117.03477	24.3
118.03797	0.7
118.64699	0.3
119.05040	23.3
120.05385	0.9
121.02991	0.6
123.04568	0.5
131.07216	0.3
145.02968	100.0
146.03311	4.6
146.08220	0.6
161.04515	1.6
163.04021	26.2
164.04391	1.2
183.26479	0.3
183.55171	0.3
191.05591	0.8
202.87329	0.3
219.06589	2.3
235.08266	0.4
237.07689	1.1
253.09303	1.2
277.12399	0.6
337.76215	0.3
361.12909	0.6
381.11963	7.0
382.12241	0.6
399.12988	5.2
400.13248	0.5
441.14069	30.9
442.14471	4.1
455.98178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63126	8.6
53.31437	10.2
57.03457	47.4
59.01381	91.5
69.79533	46.1
71.01381	25.8
73.02930	13.1
85.02945	15.1
87.00894	12.9
93.03465	40.1
96.95999	49.7
98.95606	13.5
99.04521	37.0
100.04778	8.6
101.02464	15.8
108.30777	8.9
108.72781	9.4
110.28983	10.4
111.04527	9.5
113.02466	10.6
115.54623	8.5
121.02940	9.6
125.02457	18.6
135.04521	54.6
141.12308	8.3
161.02391	31.0
173.04555	51.8
173.19496	9.8
176.03993	24.3
179.03542	15.1
191.05615	100.0
192.05898	10.7
215.12811	10.6
217.45811	8.2
223.86752	10.3
235.11246	31.7
236.11629	8.6
243.16052	11.5
335.07785	10.3
356.70868	9.3
441.15457	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	441.1561
Annotation	Mangostenone C
Peak:m/z	Relative Intensity
57.03432	0.7
59.01113	0.9
59.01388	11.6
61.98828	1.0
71.01388	5.4
71.54485	0.9
72.99303	0.5
73.02975	0.5
75.00918	0.6
76.63171	0.5
79.95719	0.6
82.85705	0.5
85.02961	1.7
86.84653	0.5
87.00922	0.7
89.02456	1.7
93.03464	1.4
96.96028	1.2
101.02465	1.9
101.44264	0.6
102.98077	0.7
111.04605	0.6
113.02474	1.5
119.03550	0.6
133.02924	0.6
134.03728	0.5
134.62480	0.5
135.08174	1.0
139.62027	0.5
161.02527	0.7
169.25230	0.5
173.04572	2.1
179.03465	0.7
184.66638	0.5
191.05602	2.7
206.45187	0.5
209.09753	1.2
218.07359	0.9
222.10509	1.7
223.07596	0.6
224.08466	3.9
233.09724	18.1
234.10393	6.6
235.11270	12.2
236.11601	1.5
237.09221	92.7
238.09802	13.2
239.07251	0.9
239.10057	1.2
249.09198	0.7
251.10730	0.6
265.08646	3.5
266.09335	0.6
267.10214	0.7
273.13663	0.5
277.12390	1.8
278.09470	4.2
278.12225	0.7
279.10272	38.0
280.10629	3.4
293.11823	1.2
311.07278	0.5
321.11325	5.2
322.11609	0.7
327.59128	0.5
382.14114	0.6
441.15561	100.0
442.15927	12.5
442.32043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1558
Annotation	Mangostenone C
Peak:m/z	Relative Intensity
52.27649	0.9
57.03448	1.4
58.13321	0.9
59.01387	35.4
59.75410	1.0
61.98828	2.7
71.01386	18.6
72.99310	1.9
73.02943	1.7
83.01408	1.4
85.02955	5.5
87.00880	1.2
89.02448	11.3
93.03456	3.1
98.19887	2.5
98.95599	1.2
101.02441	7.8
108.02224	0.9
113.02465	5.0
119.03526	2.4
135.04573	1.9
135.08194	1.1
166.50298	1.0
173.04553	4.2
179.03448	1.0
179.87776	0.9
191.05626	5.3
196.08878	2.3
209.05978	1.1
209.09711	1.8
211.07672	14.5
212.08186	2.0
222.10460	2.6
224.08400	1.6
228.00676	1.3
233.09731	85.6
234.10127	9.7
235.11295	29.0
236.04742	1.0
236.11563	2.6
237.05684	2.0
237.06813	1.3
237.09218	24.3
238.09973	10.2
243.02998	1.8
248.08356	1.5
249.09149	1.9
250.09918	1.7
251.07086	3.8
251.10672	3.5
252.08063	1.5
259.06024	1.1
263.10788	1.2
265.05148	3.3
265.08688	7.7
265.11371	1.5
266.09509	12.4
267.09973	1.9
277.12366	2.2
278.09476	6.7
279.10287	62.4
280.07355	3.9
280.10596	7.6
293.11801	2.3
321.11353	12.6
322.11365	1.4
351.11874	1.1
426.09515	3.5
441.16058	100.0
442.16449	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	441.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22976	0.4
55.30148	0.5
59.01385	1.0
61.98811	0.4
64.14191	0.4
69.21480	4.2
77.58112	0.4
89.03969	4.1
98.19926	0.8
98.20577	1.0
104.26370	0.4
105.03477	0.7
105.78006	0.4
106.04281	0.5
117.03474	10.4
118.03829	0.5
119.05070	1.2
132.02174	1.0
133.02962	2.5
134.03752	98.7
135.04073	4.0
136.01729	0.7
137.02467	0.8
147.04550	1.3
149.06119	6.6
150.06422	0.5
153.05573	0.7
172.03348	0.5
178.02563	0.4
187.76895	0.4
192.67786	0.4
193.05064	100.0
194.05406	5.2
266.82806	0.4
404.12012	0.6
441.25211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92895	8.6
59.01394	42.8
61.98836	19.6
69.82194	37.4
71.01412	52.6
72.99319	12.8
75.00870	100.0
78.36588	7.9
85.02950	21.9
89.02472	18.9
96.96021	80.8
98.20558	13.7
98.95597	56.6
98.96454	11.3
99.00877	10.7
101.02444	36.0
105.70911	7.4
113.02468	16.6
119.05093	10.7
121.46590	8.3
125.02365	10.1
127.42329	7.6
128.18787	9.4
139.00418	9.2
153.01608	8.1
161.02423	13.4
161.04616	10.8
163.04031	15.8
191.05672	15.4
193.01341	8.4
193.03220	11.1
208.03763	17.5
214.23853	10.1
217.00221	15.8
223.06154	35.0
279.14474	27.2
403.12506	10.1
441.19254	57.3
441.66571	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	441.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65113	0.5
55.01885	8.2
57.03457	5.3
58.00583	1.9
58.11186	0.5
59.01385	47.6
61.98852	0.6
66.28850	0.5
69.03459	1.6
69.38658	1.4
69.39065	3.3
70.12543	0.6
71.01389	100.0
72.01728	1.3
72.99310	3.5
73.02953	34.4
74.03313	0.6
75.00880	1.2
83.01396	17.3
84.02193	0.7
85.02959	44.3
86.00121	0.9
86.03292	0.9
87.00890	4.3
89.02454	16.7
95.01392	7.3
96.96002	3.4
97.02962	3.9
98.95611	2.0
98.96415	0.6
99.00887	14.7
101.02453	86.3
102.02793	1.9
109.02988	0.7
111.00884	1.8
113.02462	39.4
114.02771	0.8
119.03498	6.4
119.04955	0.8
125.02464	4.2
129.01990	1.3
129.40596	0.5
131.03499	1.7
136.99472	0.5
137.02509	0.6
143.03513	5.2
149.04482	0.8
153.01990	0.9
159.03026	9.1
161.04567	41.1
162.04897	1.0
179.05624	2.8
191.05615	2.5
205.03627	0.7
221.06590	1.4
241.00192	0.6
241.15820	0.6
245.06737	1.7
263.07712	1.5
279.14517	51.5
280.14813	3.0
335.27148	0.7
441.19745	41.4
442.20081	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	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.48582	1.7
65.15772	1.6
69.79411	8.9
98.20588	1.7
159.72633	1.5
171.10283	3.3
194.92813	1.9
210.75444	1.5
217.00290	3.2
242.30115	1.7
255.02704	2.2
267.33691	1.7
289.18076	3.3
295.88562	1.8
307.19150	3.3
308.61926	1.9
359.01239	1.9
407.65414	1.9
431.56766	2.0
441.25455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	16.3
59.01383	7.2
61.98814	0.7
63.45526	0.4
63.90496	0.4
69.91121	2.0
71.01392	3.9
73.02944	1.8
81.03458	0.4
83.01392	0.5
85.02949	1.3
87.00882	0.5
89.02460	0.8
93.03465	62.4
94.03802	1.5
96.96029	1.5
99.03919	0.8
99.04526	11.1
101.02449	6.4
113.02459	1.3
115.91034	0.4
119.03538	0.4
121.02975	0.5
123.08132	0.6
125.02460	9.5
128.03554	0.6
133.03001	0.8
137.02457	100.0
138.02800	3.6
138.06902	0.6
143.03452	0.7
149.02437	0.6
150.03236	0.5
151.04028	0.4
151.07614	0.6
152.08444	0.4
153.09265	2.5
161.02469	1.7
165.05550	0.5
165.09201	0.7
167.03552	0.8
173.04564	1.8
174.04767	0.4
179.03546	1.1
191.05576	1.5
192.04243	0.6
206.09550	0.4
207.06754	0.6
221.04619	0.4
221.11841	1.6
221.13887	0.4
223.06410	0.6
241.50298	0.4
243.58908	0.4
246.84473	0.4
281.06503	0.7
299.07770	3.5
341.08542	2.4
385.15149	1.1
443.11880	1.0
443.20544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	39.1
59.01112	2.2
59.01386	26.2
70.98668	2.9
71.01385	14.6
73.02954	13.4
81.03486	1.4
83.01380	4.5
85.02965	3.2
87.00870	1.3
89.02451	6.2
93.03472	37.2
94.03786	1.7
95.01392	2.2
96.96013	3.0
97.02933	1.4
99.04539	18.8
101.02452	17.3
108.02198	2.5
113.02461	7.9
119.03491	1.6
121.02959	2.0
123.04522	5.2
125.02457	11.6
128.03548	8.7
136.01628	7.7
137.02461	100.0
138.02792	2.5
143.03476	2.0
149.02449	2.5
151.03989	7.8
156.04373	1.5
161.04594	9.2
173.30066	1.2
179.03523	28.0
179.05701	2.0
190.11298	1.3
191.05675	1.8
209.04506	2.2
239.05605	3.2
250.72598	1.3
263.07690	1.5
276.20975	1.4
281.06729	3.1
299.07712	42.4
299.11136	2.1
300.08017	4.9
305.08746	3.3
323.09814	7.2
341.08792	37.8
342.08942	3.5
381.11951	11.7
443.11935	2.2
443.21332	4.8
469.98877	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	443.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33799	0.9
59.01382	10.3
59.23637	1.0
71.01397	2.9
82.29659	0.8
83.01377	1.1
85.02960	2.0
87.00895	1.0
89.02438	1.0
90.26080	1.0
93.03468	3.7
96.47597	0.9
96.96018	2.6
97.06624	0.9
99.92601	1.3
101.02442	2.0
102.98622	1.0
109.02927	1.3
112.74062	1.0
116.92886	1.7
119.03538	0.9
119.05054	1.5
133.03003	1.8
135.04536	2.1
137.02454	1.9
161.02448	3.8
173.04538	6.0
179.03488	2.2
189.09357	1.1
191.05643	8.3
208.29405	1.1
210.06883	8.4
211.07658	100.0
212.08029	6.5
229.10144	1.2
263.10840	2.4
287.25473	1.2
408.67642	1.0
443.09381	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	443.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99842	0.3
59.01370	0.3
61.98838	1.2
64.41804	0.3
65.45118	0.3
69.03455	1.5
76.85112	0.3
89.03964	2.3
89.90067	0.4
105.03463	1.1
107.34678	0.4
110.57911	0.4
117.03472	7.7
119.05054	1.3
121.02951	0.6
123.28091	0.4
132.02180	6.0
132.03059	0.5
133.02979	9.5
134.03755	100.0
135.04454	3.3
136.01669	1.0
137.02486	2.4
139.04002	0.7
147.04536	3.2
147.74127	0.3
148.05334	1.5
149.06085	12.6
150.06378	0.4
151.04063	0.6
159.04532	0.9
160.01671	21.2
160.05324	0.8
161.02478	4.2
161.06090	1.3
161.62810	0.4
170.47623	0.4
175.04019	16.7
176.04344	0.9
177.01932	1.9
178.02676	1.9
179.03452	1.1
191.03560	0.8
193.05070	62.9
194.05417	3.0
207.06621	6.4
208.07036	0.4
224.08368	0.4
234.05434	2.5
235.06116	5.4
249.07687	6.6
252.06413	1.5
253.07095	0.5
255.13277	0.4
267.08795	2.0
283.59982	0.5
293.06509	0.5
407.58099	0.4
428.10974	2.9
443.13483	66.6
444.08026	0.7
444.13834	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	443.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.9
59.73505	0.5
61.98837	18.6
66.95638	0.5
69.03452	0.9
71.01405	0.8
73.89123	0.5
82.12202	0.5
89.04006	1.6
89.20934	0.5
93.00600	0.6
105.03484	1.4
109.02985	0.7
112.98660	0.6
113.02473	0.7
117.03471	8.0
119.05042	2.4
121.02936	0.9
132.02193	5.6
133.02977	9.9
134.03757	100.0
135.04201	4.0
136.01683	1.2
137.02467	2.8
145.02945	0.7
147.04539	2.4
148.05342	2.0
149.02464	0.7
149.06090	11.6
151.00438	0.5
151.04048	0.8
159.04504	1.0
160.01678	25.2
160.05298	0.8
161.02470	4.3
161.06087	1.5
161.77312	0.5
175.04024	16.5
175.05551	1.0
176.04343	0.9
177.01955	1.5
178.02760	1.7
179.03546	1.2
181.72905	0.6
191.05548	0.6
193.05070	62.8
194.05374	3.3
207.06664	6.4
207.10316	0.7
234.05363	2.5
235.06097	5.3
249.07655	6.7
252.06393	1.5
267.08725	3.5
269.08624	0.5
284.03168	0.7
293.32019	0.6
353.19049	2.7
371.20145	3.6
381.09653	1.4
428.11307	2.5
442.31934	0.7
443.13489	54.9
443.18179	2.6
444.13794	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	443.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71930	1.4
57.03464	7.2
59.01389	97.4
60.01718	1.9
68.33102	1.4
69.03472	3.2
71.01392	24.7
71.54086	1.6
72.99330	2.6
73.02957	25.4
74.25317	1.4
77.71869	1.2
80.96526	2.3
83.01396	5.3
85.02969	14.4
87.00882	1.6
87.04549	2.1
89.02469	4.4
93.03477	12.6
95.05047	2.5
96.96021	14.5
97.02962	4.5
99.00902	2.6
99.04544	3.1
101.02459	15.8
108.02178	3.0
109.02983	2.5
111.00832	2.0
111.04519	2.6
113.02455	6.9
113.06116	1.8
119.03531	2.3
119.05091	1.6
122.03729	3.3
123.04543	3.3
123.08189	2.6
125.02445	3.4
125.06112	2.8
125.76209	1.2
128.03563	2.6
133.02980	2.8
134.03758	1.7
136.05315	2.4
137.02464	14.4
137.06062	2.3
137.09709	1.8
138.06888	21.1
139.07695	6.3
143.03616	1.7
149.06085	2.0
150.03244	2.9
151.03891	1.7
151.07666	16.3
152.01199	1.9
152.08473	11.1
153.09233	100.0
154.09605	4.4
154.68187	1.5
159.53864	1.3
161.02444	7.8
161.04596	5.9
161.09674	1.8
163.04021	5.2
165.05643	1.9
165.09238	20.6
167.03519	2.0
167.07170	1.9
173.04607	11.6
173.05943	2.2
179.03566	3.6
179.10782	2.1
188.08473	3.4
189.01974	3.4
191.05669	7.1
195.06645	2.1
203.05826	2.5
203.10776	4.8
206.09518	4.7
207.09892	1.7
221.11865	39.3
222.12189	2.0
227.07236	2.3
239.12874	13.1
240.13330	1.6
240.46175	1.7
257.07541	2.4
299.07663	2.8
304.17050	1.3
341.08621	2.5
394.38556	1.5
443.11438	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	443.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87562	0.8
66.43326	0.9
70.79706	2.2
74.99083	1.2
83.27213	0.7
86.84953	0.7
115.23898	0.8
159.08446	3.0
161.06348	1.2
182.04478	0.9
191.64482	0.8
277.07538	1.9
280.52066	0.9
345.13925	0.9
357.13657	2.4
359.15372	100.0
360.15485	14.2
361.53598	0.8
425.20056	1.0
426.20267	0.9
427.21622	52.4
428.21912	9.1
443.24884	9.1
444.24988	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.20972	0.5
60.01735	1.1
61.98842	1.2
67.76485	0.6
74.10122	0.5
96.96055	0.6
130.81392	0.6
161.27298	0.5
163.11397	1.1
291.19821	2.2
309.20850	3.8
392.63837	0.6
443.28024	0.8
444.28687	0.8
445.31558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64091	0.9
57.90993	1.0
59.01383	100.0
61.98807	1.0
69.19621	9.7
71.01401	1.0
91.03952	1.6
96.95997	1.4
98.20618	1.8
101.02476	1.0
109.06581	1.4
111.08160	1.5
123.31874	0.9
133.02969	2.8
134.03743	2.6
135.04532	2.1
137.02461	1.9
178.02701	3.5
179.03426	2.3
197.11830	2.1
207.10358	1.7
217.00302	0.9
291.19769	2.2
306.07599	5.1
307.08286	1.1
309.20557	6.4
443.14197	1.0
447.57886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34748	1.4
54.87255	1.3
59.01385	100.0
61.98810	1.4
62.37129	1.3
71.01409	1.5
71.53967	2.1
74.32338	1.8
77.80508	1.6
91.04018	3.6
96.96001	4.7
109.06576	2.1
121.02953	5.3
124.46659	1.6
134.03688	3.3
137.02432	2.9
178.02682	2.5
197.11798	5.9
213.40550	1.5
259.48532	1.5
291.19635	5.0
306.07556	4.7
309.20703	14.4
315.21750	1.4
324.00525	1.5
369.89746	1.6
383.12469	2.3
384.13800	2.3
399.15866	5.4
400.16238	2.5
443.18735	3.8
443.28195	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	443.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.9
59.01334	2.7
77.75504	0.6
89.02410	1.3
91.03965	1.7
106.66148	0.6
138.39491	0.7
158.67506	0.6
224.33594	0.8
273.17145	0.7
279.26865	1.3
305.28467	1.7
307.30081	99.9
308.30405	10.8
325.30920	1.5
351.29068	49.6
352.29370	5.7
369.30103	100.0
370.30511	12.7
399.32898	1.4
443.33832	59.9
444.34082	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	444.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48418	1.0
54.38631	1.0
59.01389	5.8
61.98835	100.0
65.00330	1.5
70.70401	0.9
71.01399	0.9
87.06414	0.9
92.62669	0.9
96.96018	1.4
98.20649	3.3
107.01395	1.1
125.02461	1.0
151.00368	5.1
172.05275	0.9
174.42244	1.1
201.09247	2.6
209.11818	3.4
218.67030	0.9
229.08652	2.4
348.12140	1.2
363.08694	1.4
381.09805	13.0
382.10059	1.6
445.18848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.1
59.01384	2.4
63.85554	0.2
68.99797	0.2
69.47045	1.4
71.01395	0.4
72.21972	0.2
72.99287	0.2
73.02965	0.3
81.03477	0.5
85.84377	0.2
89.02448	0.4
93.03461	0.3
98.19937	0.3
99.04530	8.9
101.02462	2.4
108.02182	8.1
109.02531	0.3
113.02457	0.2
121.02946	0.9
122.02490	0.6
125.02451	8.9
126.02773	0.3
135.04544	0.4
138.01982	100.0
139.02338	3.2
140.52704	0.2
143.03502	0.2
151.02769	1.2
152.03477	0.3
160.04060	0.2
161.02414	0.4
161.64708	0.2
173.04539	0.4
176.04022	0.5
179.03519	0.5
180.03021	1.0
191.05579	0.9
209.11841	2.5
255.03064	0.6
283.02594	0.4
305.08856	0.7
306.57779	0.2
400.12625	0.3
444.11673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92690	0.5
57.03444	1.7
58.02985	4.1
58.78970	0.6
59.01392	4.5
61.98827	0.9
71.01390	28.6
71.05031	0.7
83.05042	1.5
85.02960	0.8
86.06140	0.5
87.00880	0.5
87.83897	0.5
88.04052	59.2
89.04374	0.8
91.32405	0.5
91.74208	0.6
93.03449	0.8
96.99334	0.9
98.20689	1.3
99.08159	3.6
110.44247	0.5
114.01980	0.9
115.00389	19.0
125.09743	1.3
132.03062	6.5
133.02950	0.6
137.02489	0.7
148.36444	0.5
152.10825	2.4
161.02525	0.9
170.11830	2.2
173.04567	1.3
180.13980	1.1
182.15495	2.9
183.13934	0.9
190.12419	0.6
191.05629	1.4
192.13956	1.6
193.12404	1.0
193.43933	0.8
198.14894	0.7
208.13458	0.8
209.11833	1.0
210.15015	14.5
211.13448	9.4
211.15315	1.4
225.09305	0.8
228.16052	5.6
229.14406	4.9
295.31812	0.6
311.22311	0.6
328.24924	6.5
329.23306	25.4
330.23645	2.7
400.27036	7.9
401.16129	1.0
401.27420	1.4
409.43704	0.6
426.25079	1.8
441.09262	0.6
444.26065	100.0
445.19272	1.6
445.26361	12.1
452.66721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56615	1.1
52.04527	1.2
59.01380	9.3
63.13110	1.2
69.35065	4.5
69.35489	6.8
71.01376	2.9
75.00877	70.4
79.57333	1.3
89.02448	4.3
101.02480	1.6
103.00381	100.0
104.00709	2.0
104.03558	10.3
113.02478	1.4
116.54877	1.2
121.85792	1.4
179.05629	3.1
186.71559	1.3
271.59766	1.2
341.10837	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	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31276	1.1
53.82333	1.2
57.03455	70.7
58.03794	1.1
59.01388	14.2
69.80299	4.1
69.80717	2.3
71.01382	11.0
73.02953	4.5
76.68505	1.3
81.03468	1.7
83.01405	1.7
85.02951	4.5
97.02993	1.2
99.00903	1.3
99.04530	59.4
101.02453	18.8
107.62392	1.1
113.02463	4.2
121.02956	3.9
123.00905	15.9
124.01678	94.9
125.02490	27.5
138.03256	8.8
139.04030	100.0
140.04353	2.0
143.03506	1.3
143.83813	1.2
161.04594	10.7
165.05588	1.9
176.82159	1.2
181.05093	1.6
182.44177	1.1
203.05678	3.8
254.19928	1.1
264.40543	1.1
283.08237	13.6
284.08698	1.4
301.09439	8.1
310.54752	1.1
310.58774	1.1
343.10281	3.5
445.13422	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	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24572	0.9
54.62136	0.8
55.58821	0.9
57.03446	3.2
59.01383	39.0
61.98829	2.8
63.55451	0.9
68.62934	0.9
69.95044	4.7
71.01395	11.3
72.99286	1.1
73.02948	4.3
75.00873	2.7
83.01398	1.4
85.02962	3.8
85.69932	0.9
87.00883	2.6
89.02443	7.1
93.03463	3.0
96.96014	7.8
99.04534	1.5
101.02430	5.4
108.02180	24.2
109.15111	1.0
113.02464	3.7
119.03531	1.7
121.02957	3.7
123.04540	14.1
124.04777	1.3
125.02475	1.6
133.02908	1.3
133.05064	3.0
137.02408	1.3
139.04019	1.6
152.01169	45.3
153.01596	1.9
161.04539	2.7
163.11235	0.9
165.09218	1.4
167.03511	100.0
168.03818	2.9
173.04555	2.6
187.11263	1.1
191.05644	11.5
205.12296	3.4
209.11775	3.4
223.13402	6.3
241.14467	4.1
271.06110	2.1
329.08997	4.5
329.12906	0.9
387.16663	2.8
402.93762	1.0
403.19821	1.1
445.12234	4.0
445.20779	3.5
446.11957	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	445.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58834	0.9
55.65603	1.0
58.29871	1.0
59.01386	100.0
61.11306	0.9
70.74324	2.1
70.74648	1.1
78.95917	4.1
80.36990	0.8
83.03402	0.9
85.33839	0.9
92.41154	1.0
96.96026	2.3
102.38239	0.9
121.02902	1.1
148.39732	1.0
149.00043	5.5
162.09203	0.9
199.37898	1.1
199.65804	1.1
205.16034	6.5
255.03050	2.0
283.02579	1.1
297.04001	1.1
355.16821	21.9
356.17117	1.8
385.18063	12.8
386.18246	2.1
445.07773	1.5
445.20111	3.8
445.29526	2.8
458.19809	1.0
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
55.01879	0.6
56.99390	0.4
57.03453	0.7
57.10707	0.4
58.00589	0.6
59.01385	100.0
60.01718	1.3
62.84513	0.5
65.11201	0.4
70.83906	0.8
70.84246	0.4
71.01386	12.6
72.99330	0.8
73.02966	1.2
77.95248	0.4
85.02946	2.1
87.00878	0.7
89.02454	17.0
95.01414	1.5
99.04549	0.5
101.02444	6.8
107.05048	0.8
113.02459	5.1
119.03509	7.0
121.17699	0.4
127.99577	0.4
131.03534	0.8
137.09781	0.5
143.03539	1.2
149.06032	0.5
161.04608	1.6
163.11317	0.9
173.04597	0.6
179.05629	2.0
188.05751	0.4
191.05721	1.4
205.12367	5.4
209.75754	0.5
236.75339	0.4
283.09924	0.9
284.03275	0.6
445.21149	0.9
446.11353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49415	0.7
57.03447	0.8
57.12314	0.8
59.01387	100.0
60.01717	1.3
64.68152	0.8
71.01392	17.0
71.08521	1.5
72.99329	1.8
74.31546	0.8
83.05043	3.4
85.02962	2.2
87.00900	1.5
89.02456	31.1
90.02802	0.7
95.01424	1.2
99.80253	0.6
101.02452	8.5
113.02456	7.7
119.03527	12.4
121.02956	1.2
121.89494	0.7
126.94353	0.7
131.03502	1.8
143.03517	3.6
147.78569	0.8
149.04556	1.6
161.02510	1.8
161.04631	3.4
179.03490	1.7
179.05630	17.3
191.05669	0.9
194.05983	1.1
209.08263	3.1
209.11829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05661	0.4
53.07388	0.5
55.53930	0.4
59.01374	1.8
61.00035	0.5
62.46480	0.4
69.22729	4.5
78.95908	7.3
90.12110	0.5
110.98549	5.3
167.01172	3.9
185.02214	4.6
275.20187	0.5
277.21738	100.0
278.22067	10.1
285.32126	0.6
445.23633	7.0
446.24200	0.8
448.33167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97515	0.7
59.01388	100.0
60.01715	0.7
60.88159	0.8
61.98840	2.7
69.62070	3.8
71.01425	1.3
79.43120	0.7
89.80100	0.7
91.04019	4.4
96.96026	17.1
96.96619	1.2
98.20665	0.9
121.03001	1.3
124.26957	0.8
127.45422	0.8
133.02994	0.9
134.03783	1.0
152.91849	2.0
209.11929	0.8
211.13503	1.6
225.05739	0.9
247.02487	2.9
255.03090	2.6
293.21301	1.0
306.07669	1.7
307.01886	3.4
311.22330	18.8
311.25842	1.3
312.22568	1.7
427.10791	0.9
437.73117	0.7
445.29929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01722	1.2
61.98835	2.7
70.09052	3.1
72.46157	0.8
83.10928	0.8
89.02469	1.8
91.04041	2.4
96.96027	4.7
98.20007	1.1
102.43945	0.7
125.09750	0.8
152.99625	1.8
178.02806	1.1
193.24223	0.9
209.11882	1.0
211.13538	1.3
215.38091	0.7
225.05551	0.9
255.03072	2.4
262.55380	0.8
283.02554	1.4
293.21268	1.2
301.60547	0.7
306.07413	1.6
311.22284	12.5
312.22714	2.4
446.26285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96387	0.4
57.08276	0.6
57.08550	0.5
57.78791	0.5
61.98835	100.0
65.66702	0.6
67.47764	0.5
67.97802	0.5
111.50249	0.5
119.05003	1.2
121.03008	0.5
137.93300	0.5
145.03062	0.8
156.99898	0.6
163.04059	0.8
255.03032	4.0
255.05359	0.6
283.02634	2.0
285.04181	0.8
340.14664	0.6
370.67957	0.6
383.11551	2.5
397.11258	0.5
446.08096	2.4
447.08939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27982	0.8
59.01390	10.1
61.98837	100.0
70.79996	1.8
71.01385	5.4
73.41038	0.7
75.17016	0.7
83.01395	0.8
85.02956	1.5
88.14479	0.8
89.02477	2.3
94.09464	0.7
94.57059	0.6
98.19964	0.7
98.58366	0.8
101.02480	2.6
113.02464	1.1
119.03544	0.8
121.08689	0.8
134.03787	0.9
191.05661	2.1
255.03017	20.9
256.03406	1.4
257.21741	0.8
283.02493	8.6
284.03323	3.3
285.03940	3.6
285.20731	11.8
313.03574	1.5
340.32092	0.7
369.66663	0.8
373.19177	0.8
446.08633	13.8
446.14240	1.3
447.09100	4.1
447.26071	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.2
63.02408	1.4
65.00335	1.0
69.51038	1.7
72.17761	0.3
83.01395	1.0
89.02460	0.3
107.01390	2.8
109.02988	0.5
121.02948	0.4
132.02182	0.5
133.02963	4.1
134.03726	1.0
148.01640	0.5
149.02472	1.3
151.00377	3.8
161.04628	0.5
175.04045	1.6
183.04507	0.6
185.06024	0.3
187.04012	0.7
189.05525	0.3
191.05568	0.8
195.04607	0.4
199.04039	1.9
200.04765	0.9
201.01910	0.7
211.04021	1.1
212.04720	0.5
213.05632	0.5
215.03526	0.3
217.05106	0.8
227.03528	1.6
235.72687	0.3
239.03526	0.5
241.05112	0.6
242.02625	0.2
243.02995	0.6
255.03050	1.2
255.06487	0.3
256.03784	3.2
257.04462	0.6
267.02878	0.5
269.04645	0.4
283.02539	0.6
283.96768	0.4
284.03284	57.2
285.04044	100.0
286.04419	8.5
297.04083	0.3
323.65250	0.2
327.05057	0.7
447.09341	63.8
448.09656	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22687	0.2
59.01110	0.2
59.01381	0.9
63.02413	0.2
65.00325	0.8
69.41543	1.0
69.41960	0.6
83.01406	0.7
85.02939	0.3
86.97304	0.2
93.03471	0.5
107.01397	1.9
115.92071	0.3
116.92860	1.3
121.02988	0.3
127.13586	0.2
133.02962	9.0
134.03276	0.3
149.02432	1.8
150.99220	0.3
151.00386	4.8
164.12427	0.2
171.04445	0.4
173.04576	0.4
175.03998	2.8
191.05605	2.2
197.06146	0.3
198.03305	0.3
199.04028	2.1
201.01945	0.9
213.05574	0.8
215.03435	0.2
217.05092	1.4
224.25351	0.2
226.02788	0.3
229.05161	0.3
239.03453	0.3
241.05060	0.7
243.02988	0.9
257.04581	0.3
284.03314	1.6
285.04062	100.0
286.04437	7.1
327.08786	0.4
447.09048	2.7
448.09753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24029	0.2
58.48837	0.2
59.01375	0.8
60.62228	0.2
63.02408	0.2
65.00325	0.9
70.09595	0.6
83.01396	0.5
93.03481	0.3
94.75639	0.2
94.90952	0.2
105.03505	0.2
107.01396	1.9
119.04990	0.3
121.03007	0.3
128.70117	0.2
132.02209	0.3
133.02966	7.7
134.03314	0.3
149.02437	1.6
151.00377	4.9
152.00734	0.2
171.04523	0.4
175.04021	2.9
176.04221	0.3
185.06134	0.3
189.05409	0.2
191.05609	1.4
197.06117	0.3
198.03223	0.5
199.03981	2.0
201.01895	0.9
213.05617	0.6
215.03563	0.3
217.05031	1.6
223.03969	0.4
226.02867	0.3
228.54121	0.2
229.05013	0.3
235.59732	0.2
239.03595	0.2
241.05049	1.0
243.03011	0.6
255.02887	0.3
256.03748	2.3
257.04395	0.4
267.02951	0.3
280.00488	0.2
284.03271	4.5
285.04056	100.0
286.04416	7.6
447.09314	18.0
448.09686	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01141	0.4
59.01391	3.8
62.96411	1.7
69.35731	3.2
71.01369	0.7
78.95911	39.4
96.96973	2.6
98.19951	0.8
101.02457	0.6
113.32435	0.4
123.22531	0.4
149.00107	19.1
152.99599	0.9
158.86200	0.5
158.92528	1.3
172.56372	0.3
179.01154	2.4
205.15938	1.2
284.03531	1.0
285.03995	1.9
285.20712	0.6
347.08099	0.4
417.12839	0.8
431.10355	2.4
447.13477	100.0
447.25824	3.8
448.13852	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	447.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36520	0.5
59.01383	2.4
70.85094	1.4
72.99319	6.4
75.00874	2.2
80.46018	0.5
81.84108	0.5
87.00886	2.9
103.00333	1.0
104.03542	1.9
105.01945	100.0
106.02309	1.5
176.55705	0.5
191.80116	0.5
288.82687	0.6
312.89240	0.5
346.58176	0.5
371.40680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61500	0.3
54.78828	0.4
58.00607	0.8
59.01386	100.0
60.01728	0.7
66.76193	0.4
69.42614	1.0
69.43015	1.9
70.05060	0.4
71.01390	10.6
72.99306	0.5
73.02948	0.6
85.02985	1.4
87.00916	0.8
89.02453	16.1
91.96381	0.4
95.01400	0.5
101.02448	5.0
105.38274	0.4
113.02466	5.1
119.03506	6.7
127.32530	0.4
131.03522	0.7
143.03545	1.6
149.04581	0.9
161.04543	2.5
167.10851	0.5
179.05629	12.7
186.44388	0.4
294.64612	0.4
314.55435	0.4
447.22351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12301	0.2
55.01883	0.3
57.03464	0.2
58.00602	0.3
59.01386	100.0
60.01727	1.0
60.86429	0.2
61.98835	0.7
65.45592	0.2
69.52647	1.5
71.01388	5.7
73.02967	0.7
83.01391	0.3
85.02950	1.6
87.00911	0.3
89.02457	6.2
95.77691	0.2
99.00874	0.2
101.02454	4.1
103.17158	0.2
113.02467	3.2
118.15940	0.2
119.03521	3.1
123.87991	0.2
127.29395	0.2
130.96429	0.2
143.03571	0.8
149.04594	0.4
159.02983	0.2
161.04553	3.7
179.05606	1.3
189.12833	1.7
190.13107	0.2
191.05675	0.4
207.13936	0.9
284.06290	0.2
285.04031	0.2
285.06998	0.3
387.20251	3.5
388.20969	0.3
447.09247	0.3
447.22440	1.2
460.43875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03450	2.1
59.01385	100.0
60.01687	1.6
69.21319	2.0
69.21722	7.8
71.01389	26.5
72.01711	0.9
72.99340	1.3
73.02956	8.0
83.01398	2.5
85.02962	11.1
87.00879	0.8
89.02454	4.4
93.03470	0.9
95.01408	1.5
99.00884	4.4
101.02454	17.6
113.02467	12.4
119.03496	1.7
143.03500	2.3
159.02983	3.4
161.04564	23.6
163.11313	1.8
179.05637	0.9
181.12314	1.5
189.12889	1.3
191.05627	4.3
203.03542	1.2
205.03406	1.2
207.13757	4.1
225.14951	7.7
233.04572	1.5
270.48608	0.8
387.20190	10.7
388.20538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62917	0.6
57.03436	1.2
59.01386	100.0
69.65511	3.8
71.01389	23.9
73.02952	7.5
75.00910	1.1
83.01421	2.7
85.02960	11.0
89.02443	5.0
95.01383	1.7
99.00908	2.8
101.02454	17.2
113.02461	11.9
119.03566	2.7
143.03546	2.3
159.03009	3.6
161.04579	22.8
161.05896	1.4
162.04865	0.8
163.11298	1.5
179.05640	1.8
181.12413	1.5
189.12846	1.7
191.05595	4.9
203.03612	1.1
207.13885	3.7
225.14949	6.1
229.08957	0.8
233.04707	1.1
273.07742	0.7
285.04117	1.7
309.17438	1.0
387.20325	8.8
388.20837	1.5
437.17651	0.7
464.13632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01386	100.0
60.01725	1.4
69.82023	2.5
71.01390	10.0
71.01783	0.6
73.02957	8.3
78.95914	0.9
83.01396	2.3
85.02961	1.9
87.00906	0.6
89.02457	4.8
91.81197	0.5
93.02863	0.4
93.03462	1.0
95.01421	0.7
96.96025	6.3
96.97005	1.8
98.20570	0.7
99.04545	1.0
100.64919	0.4
101.02456	8.5
101.03103	0.5
102.05621	0.8
113.02464	4.0
119.03539	1.7
121.02995	0.5
125.02560	0.5
125.06128	0.5
127.04121	0.5
131.03465	0.6
135.04515	0.5
136.01749	0.7
143.03529	0.8
146.04652	0.6
149.04547	0.7
149.09782	0.8
153.48190	0.5
161.04604	1.5
167.03423	1.0
167.10762	2.3
173.04596	1.3
175.04118	0.6
179.05643	1.1
188.76196	0.5
191.05618	4.5
210.66731	0.4
225.14964	0.6
227.03516	0.5
241.08798	0.6
257.08276	0.7
273.07898	1.8
284.03259	2.5
285.04086	4.7
286.04608	0.7
300.06232	0.5
315.08209	0.6
327.05066	1.0
387.16345	0.7
387.20639	0.6
447.08704	3.2
447.22601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83522	0.5
57.03440	1.1
58.00591	1.0
58.79644	0.6
59.01385	34.8
59.45290	0.5
61.98823	1.7
67.01905	0.7
69.03468	0.6
70.25094	0.5
71.01016	1.0
71.01389	16.2
71.54156	0.8
71.54545	0.5
72.99314	1.3
73.02954	1.2
80.37807	0.5
81.03393	0.7
83.01385	1.7
83.05023	0.8
84.02235	0.6
85.02953	6.1
87.00888	2.6
89.02450	12.0
92.06426	0.5
93.03452	3.2
95.01407	1.1
96.96028	1.3
99.00838	0.7
99.04532	0.9
99.08178	4.6
101.01804	0.7
101.02455	9.3
107.01414	1.0
109.02956	0.8
109.54423	0.6
111.00835	0.5
111.04538	1.0
113.02471	4.8
113.09739	1.1
119.03507	3.8
121.02973	0.7
125.02406	0.9
133.02943	2.5
135.04538	1.7
135.08150	0.8
137.02466	1.1
139.11322	4.7
145.02963	0.8
148.83170	0.6
151.00392	2.0
161.02478	1.2
161.04547	0.5
163.03981	0.7
173.04556	3.6
187.04050	0.6
191.04007	1.0
191.05641	15.6
198.03186	0.5
199.04063	0.9
202.06413	0.5
213.05470	0.9
215.07077	0.7
221.18956	0.6
221.39597	0.6
227.07106	0.7
229.09003	0.5
239.20154	2.0
255.02992	9.9
255.06590	0.9
256.03366	15.5
256.07382	0.7
257.03650	1.4
267.19498	1.1
281.21124	0.9
283.02469	3.8
284.03143	19.4
285.04056	25.4
285.20737	32.6
286.04410	2.2
286.21136	2.2
297.03802	1.0
299.05676	1.2
313.03552	0.7
314.03900	1.0
327.05359	2.6
327.21786	0.8
357.06226	1.5
435.97314	0.6
447.09119	30.7
447.26028	100.0
448.09424	3.5
448.26413	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	447.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64209	0.4
52.91200	0.4
55.01867	0.7
55.34197	0.4
57.03446	1.7
58.00591	0.9
59.01389	26.0
61.98841	5.2
70.84461	0.9
71.01012	0.8
71.01392	13.0
72.99300	1.0
73.02954	1.5
83.01425	1.2
85.02989	3.4
87.00900	1.2
89.02457	10.5
95.01418	1.1
101.02451	9.4
113.02460	5.1
119.03510	3.2
181.15906	0.8
187.31934	0.5
191.05635	0.7
221.19157	1.4
239.20117	2.5
256.03345	1.1
267.19690	1.7
269.21246	1.0
284.03036	1.0
285.04068	1.3
285.20737	34.4
286.21103	2.5
447.09073	2.2
447.26016	100.0
448.26370	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	447.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03445	1.5
57.30838	0.4
58.00590	1.3
59.01385	30.0
61.98819	1.0
66.94706	0.4
69.80939	0.3
71.01379	14.8
72.99313	1.1
73.02954	1.5
77.95196	0.4
83.01394	1.8
83.49888	0.3
84.02221	0.5
85.02952	3.9
87.00887	1.6
89.02453	12.2
89.91469	0.3
95.01389	1.3
99.00858	0.5
101.02451	9.8
111.00912	0.4
113.02466	5.3
119.03521	4.3
131.03477	0.4
132.55362	0.4
134.25766	0.4
135.04468	0.4
143.03522	0.4
179.05696	0.5
181.15982	1.2
191.05635	1.2
221.19032	1.0
239.20155	2.5
245.68712	0.4
255.02983	0.4
256.03311	0.9
267.19641	2.2
269.21115	0.9
270.40695	0.4
281.21216	0.6
284.03223	0.8
285.04150	2.2
285.20734	34.5
286.21021	2.7
327.21848	0.7
447.09521	2.1
447.26004	100.0
448.26385	13.4
453.30942	0.5
464.00208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	56.6
60.01715	5.9
61.01837	1.0
61.98838	100.0
64.95078	0.5
70.28284	0.8
70.28632	1.4
71.01386	7.2
72.01728	0.6
73.02953	1.1
85.02984	1.7
87.00881	0.7
89.02457	10.1
90.02814	1.8
93.03458	2.8
95.01418	0.5
96.96053	0.8
101.02435	3.7
102.05634	1.1
108.02185	1.2
111.04562	0.6
113.02452	2.9
114.02811	0.8
116.97257	0.7
119.03526	3.1
120.03904	0.6
123.04565	1.2
128.03580	0.9
128.34479	0.5
137.02475	3.6
143.03499	0.7
146.04634	2.6
152.01173	2.3
155.03487	0.5
158.03780	0.7
159.04517	0.9
161.02412	0.6
161.04593	2.2
162.04976	0.9
167.03470	2.9
173.04552	1.0
179.05626	4.8
180.06006	2.0
187.07613	2.3
191.05640	6.0
202.06461	0.5
213.09125	0.5
231.10291	1.1
257.08203	0.7
275.09305	6.3
281.06674	2.6
286.04688	0.8
313.49142	0.5
355.62961	0.5
361.14630	0.6
373.96194	0.6
448.09750	0.6
449.11047	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	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01386	12.5
60.01733	0.4
61.98837	100.0
62.98549	0.3
67.01898	0.3
69.62350	1.8
71.01398	1.1
73.02956	0.8
75.00865	0.3
85.02975	0.8
89.02455	1.2
93.03479	1.2
96.96043	0.4
98.20630	0.6
101.02443	1.2
113.02470	0.7
119.03529	0.4
121.62822	0.3
137.82407	0.3
143.03493	0.3
146.04639	0.5
158.03767	0.4
159.04561	1.1
161.04579	0.4
173.04605	1.4
173.06039	0.6
187.04114	0.3
187.07664	2.3
191.05626	4.1
202.06425	0.6
203.10892	0.6
213.09178	0.3
216.07936	0.3
231.10310	1.4
257.08301	0.4
275.09247	6.3
285.03937	0.8
286.04492	1.1
347.16943	0.4
448.09988	0.8
449.15018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
59.45328	1.0
60.99308	2.8
67.01900	4.4
69.03465	1.0
71.01391	3.8
85.02977	2.2
87.00900	6.8
91.62498	1.0
93.03471	38.1
98.19909	3.1
108.02187	4.2
111.04517	5.6
113.02415	1.0
118.95199	1.0
121.02970	2.2
122.03743	2.4
124.01701	7.8
125.02447	3.8
126.03234	1.8
133.02988	5.1
134.03761	18.4
135.04543	100.0
136.05258	3.0
137.02458	3.2
150.03270	6.6
151.04022	15.7
152.04327	1.3
155.03508	2.1
160.01662	2.0
161.02478	1.5
173.04555	22.5
177.01920	1.8
178.02744	1.2
179.03531	24.1
180.04182	5.1
191.04008	2.0
191.05617	23.0
257.08252	3.8
275.09341	2.8
290.07944	2.7
307.08203	6.2
308.09039	29.5
309.09293	2.6
344.03693	1.0
351.07114	1.8
352.08026	18.2
353.08466	1.6
390.75189	1.0
446.35938	1.1
449.14536	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	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77379	0.5
54.25724	0.5
56.77176	0.6
57.03448	2.2
59.01374	2.5
60.99322	5.6
61.63596	0.6
67.01899	14.4
69.03457	4.5
69.18147	5.0
71.01385	4.6
81.03474	3.2
81.60803	0.6
83.05038	2.2
85.02949	1.6
87.00886	18.3
93.03468	100.0
94.03822	2.6
99.00890	2.0
99.04554	1.4
105.03479	1.9
109.02962	1.0
111.04523	12.9
113.02466	1.3
117.03467	0.7
117.10818	0.6
122.40784	0.7
129.01981	2.8
133.02983	5.4
134.03761	10.6
135.04544	8.0
137.02409	0.7
143.03455	1.0
146.08997	0.6
155.03548	3.0
158.15108	0.6
160.01663	0.6
161.02466	1.0
162.03262	2.6
164.59669	0.6
173.04562	64.5
174.04929	2.7
178.02611	0.9
191.05630	9.0
220.74590	0.6
231.10278	5.7
257.08249	0.8
271.61639	0.6
275.09225	5.9
308.08893	1.5
351.07242	0.7
352.08078	1.0
449.14578	37.0
450.14871	6.2
468.32071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07010	0.6
59.01385	19.9
60.01716	3.0
61.01807	2.9
61.98837	100.0
67.01910	0.9
69.34231	1.5
69.34639	4.1
71.01403	2.7
72.01708	0.6
73.02944	0.7
79.82484	0.6
81.03482	0.7
85.02973	2.6
87.00896	1.9
89.02480	2.1
91.41206	0.5
93.03464	5.2
94.03806	1.9
94.65014	0.6
96.95999	0.7
99.04524	0.7
101.02466	0.9
111.04578	0.8
113.02455	1.3
119.03521	0.7
160.04918	1.0
161.04572	0.8
166.99870	0.7
168.03960	0.7
173.04585	2.7
174.04947	1.4
187.07680	1.8
188.08040	2.7
191.05632	23.2
192.05951	11.6
192.07516	1.1
193.06181	0.8
203.06728	0.8
214.09669	0.9
229.95427	0.7
231.10332	0.8
232.10646	1.2
257.08289	1.3
258.08664	2.7
275.09149	3.2
276.09610	6.3
450.15445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
61.98828	0.4
66.56892	0.4
71.53706	0.4
78.95914	19.4
83.05030	0.9
89.62970	0.4
93.03455	1.4
94.03787	0.5
122.00143	0.6
125.36817	0.4
140.01199	5.7
146.70131	0.4
152.99629	2.0
171.00539	0.4
174.04935	0.5
191.05544	0.5
196.03806	10.3
214.04907	2.3
216.72614	0.5
235.20647	0.8
238.07632	0.5
253.21744	100.0
254.22102	7.1
340.70978	0.4
450.16257	0.8
450.26294	22.2
451.26782	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	451.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98804	0.3
62.94885	0.3
71.01386	0.5
71.52780	0.3
78.95904	0.3
79.95748	2.2
85.02952	1.5
93.02970	0.3
93.03454	1.4
96.96023	100.0
97.95941	0.3
109.02992	0.3
111.00936	0.3
111.04559	0.4
127.04061	0.3
130.63498	0.3
135.04510	0.5
142.96666	0.8
147.04353	0.2
160.97693	0.4
161.02437	0.5
171.64885	0.3
172.82405	0.2
173.04602	0.3
183.54767	0.3
184.97705	1.6
191.05623	24.4
192.05984	0.5
193.05009	0.3
196.27011	0.3
202.98775	0.9
210.99292	0.4
216.98230	1.1
231.97011	0.3
234.99251	0.7
248.97235	0.5
258.99136	0.3
260.97079	0.3
289.02493	2.5
325.01590	0.3
353.08783	3.3
354.09052	0.4
375.07202	0.4
391.03558	1.0
409.04599	0.6
421.17313	0.4
451.05527	4.7
451.11670	0.3
451.18777	0.3
452.06299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01385	4.1
60.99316	5.7
65.03971	0.6
67.01894	15.3
68.02218	1.1
69.03450	5.2
69.82611	0.5
70.03748	0.6
71.01395	7.4
81.03470	3.0
83.01376	0.6
83.05040	1.8
85.02965	2.0
87.00883	19.8
88.01205	1.2
89.01317	0.8
89.02447	1.3
93.03468	100.0
93.67000	0.5
94.03804	9.1
95.03909	1.0
96.96017	7.6
99.00899	2.2
99.04561	1.0
101.02405	0.8
109.02972	0.9
111.00853	0.6
111.04536	12.7
112.04874	1.2
113.02457	2.7
113.05013	0.6
115.04013	1.2
120.99660	0.6
129.01952	1.8
133.02982	1.8
134.03761	19.9
135.04573	10.6
136.04887	0.7
137.02451	1.5
143.03479	1.1
155.03519	4.1
162.03230	0.7
163.03680	0.6
173.04562	73.7
174.04919	8.0
175.05028	6.4
191.05640	5.4
192.05975	2.8
193.06065	2.2
231.10245	1.7
275.09311	3.0
276.09628	2.1
277.10641	7.4
400.20047	0.6
402.86316	0.5
451.15900	46.0
452.16495	5.8
467.25827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01385	4.1
60.99316	5.7
65.03971	0.6
67.01894	15.3
68.02218	1.1
69.03450	5.2
69.82611	0.5
70.03748	0.6
71.01395	7.4
81.03470	3.0
83.01376	0.6
83.05040	1.8
85.02965	2.0
87.00883	19.8
88.01205	1.2
89.01317	0.8
89.02447	1.3
93.03468	100.0
93.67000	0.5
94.03804	9.1
95.03909	1.0
96.96017	7.6
99.00899	2.2
99.04561	1.0
101.02405	0.8
109.02972	0.9
111.00853	0.6
111.04536	12.7
112.04874	1.2
113.02457	2.7
113.05013	0.6
115.04013	1.2
120.99660	0.6
129.01952	1.8
133.02982	1.8
134.03761	19.9
135.04573	10.6
136.04887	0.7
137.02451	1.5
143.03479	1.1
155.03519	4.1
162.03230	0.7
163.03680	0.6
173.04562	73.7
174.04919	8.0
175.05028	6.4
191.05640	5.4
192.05975	2.8
193.06065	2.2
231.10245	1.7
275.09311	3.0
276.09628	2.1
277.10641	7.4
400.20047	0.6
402.86316	0.5
451.15900	46.0
452.16495	5.8
467.25827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32959	1.0
59.01386	100.0
60.01709	1.3
71.09076	1.6
81.03457	5.0
83.05037	14.4
93.03469	2.7
99.33141	1.2
119.05035	1.2
133.95694	1.1
173.04509	1.7
191.05803	1.3
242.49739	1.1
257.21323	1.2
341.67773	1.2
352.83679	1.0
391.29712	42.0
392.30145	6.9
451.14401	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	451.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01917	0.1
53.57428	0.1
58.02977	0.3
59.01377	0.5
67.01904	0.2
69.03468	0.2
70.62194	0.2
70.62531	0.3
71.01366	0.3
72.67883	0.1
77.35031	0.1
80.05060	0.4
81.03465	9.5
82.03831	0.2
83.05034	26.5
84.05363	0.5
85.02959	0.5
87.00887	0.2
93.03473	1.1
94.03835	0.2
97.02957	0.2
100.07701	0.3
107.06181	0.8
108.04537	1.0
111.04531	0.2
121.02881	0.2
123.00858	0.3
124.01678	1.1
125.02458	1.8
125.07224	3.1
126.05650	0.5
126.07570	0.1
137.02423	0.7
143.08295	1.6
149.99596	1.5
168.00659	2.7
168.02013	0.2
169.01213	0.2
173.04581	0.3
174.04845	0.3
191.05637	2.3
192.05978	1.5
193.06075	1.4
207.15036	3.2
208.13400	0.2
224.17697	4.8
225.16104	11.4
226.16467	0.6
231.10283	0.2
237.86836	0.2
242.18758	1.6
250.15610	0.3
257.08185	0.2
259.08881	0.3
268.16776	0.2
290.22443	0.4
306.21936	0.2
307.23969	0.3
309.21893	0.5
324.26575	1.9
325.26706	0.3
331.06711	0.5
333.22995	4.1
334.23431	0.3
351.23920	1.1
367.16010	0.1
367.27130	1.4
433.31879	5.8
434.32050	0.6
451.08902	4.3
451.32919	100.0
452.09238	0.6
452.33246	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	452.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
62.48913	0.3
70.01461	1.3
71.95112	0.3
78.95921	5.6
83.78381	0.3
96.04609	0.3
116.86732	0.3
120.55716	0.3
136.07013	0.3
140.01237	1.9
149.28046	0.3
152.99606	0.4
159.17087	0.3
165.01506	0.3
196.03864	0.8
214.04878	2.3
255.23322	100.0
256.23669	8.2
393.19659	2.0
446.93634	0.3
452.27850	7.4
453.28235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96421	0.2
74.57527	0.1
78.95912	20.7
93.34254	0.1
96.96964	0.2
104.97449	0.1
107.19456	0.1
111.70669	0.1
122.00163	0.8
122.98566	0.2
131.22328	0.1
134.98570	0.2
140.01207	5.3
152.99596	1.7
166.02780	0.4
196.03819	10.2
197.04118	0.3
205.01804	0.1
214.04880	2.2
237.22305	0.2
255.23315	100.0
256.23660	8.4
436.32883	0.1
452.27841	23.0
453.21924	0.2
453.28210	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	453.102
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39981	0.3
69.57129	0.8
69.57538	1.2
71.01375	0.5
74.94681	0.3
78.95913	100.0
110.89913	2.4
110.98543	95.3
111.98908	0.7
123.86021	0.4
138.89891	0.4
306.18588	0.3
341.10818	1.0
453.10327	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	453.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04088	1.6
57.03448	17.7
57.07086	1.7
59.01384	33.6
61.98837	100.0
69.36973	11.2
71.01405	13.3
73.02939	5.1
78.95898	1.6
83.01421	1.8
85.02959	6.5
87.00880	4.3
89.02448	10.6
93.03474	4.4
96.96025	4.3
99.04525	13.1
100.09516	1.6
101.02464	15.5
109.02919	2.1
113.02465	5.2
119.03516	4.9
123.04536	4.9
125.02467	6.1
132.87332	1.6
147.04469	2.9
149.04471	1.8
153.01955	2.6
153.05594	1.8
161.04591	4.2
173.04491	3.2
181.09698	2.0
191.05617	17.9
192.05772	1.6
199.10977	2.0
262.65521	1.7
390.13937	5.5
453.12558	2.5
453.18085	23.4
453.23489	3.5
454.18665	3.1
454.97992	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00775	0.6
53.84624	0.6
53.99854	0.5
58.99611	6.7
59.01385	8.7
60.99331	0.6
61.98828	1.2
66.20432	0.5
67.01902	1.3
71.01393	8.3
71.54074	0.8
72.99307	0.7
73.02947	1.7
74.99130	0.7
75.22503	0.5
79.95752	2.5
80.96523	1.7
83.01376	0.6
85.02955	3.3
87.00886	12.0
89.02453	3.5
93.03470	7.0
94.03809	1.3
95.95251	1.3
96.96021	16.2
98.95598	2.7
99.00888	0.9
101.02470	4.9
102.98608	39.6
103.99027	0.9
113.02475	2.6
117.22730	0.5
119.03513	1.0
119.05003	1.3
120.99671	100.0
122.00011	1.6
128.03516	0.6
133.02968	0.7
134.03773	1.5
135.04559	2.9
137.02477	1.5
139.11320	1.6
155.03534	0.5
161.02467	1.1
161.04547	3.4
163.04079	1.3
164.05054	0.6
164.07153	0.6
173.04568	6.7
174.04958	1.9
175.05066	1.6
176.04070	2.1
179.03526	1.5
180.04309	0.7
191.05620	4.3
205.07220	0.7
249.06163	5.6
258.02121	0.9
283.04971	37.2
284.05322	2.2
290.63007	0.6
307.98868	0.5
374.39536	0.7
453.08475	6.4
453.17789	4.1
454.08679	1.0
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
59.01376	1.8
61.28842	0.6
61.98836	100.0
66.90028	0.5
69.45429	3.4
97.78484	0.6
111.27930	0.6
151.00452	0.8
155.77669	0.6
171.10294	3.7
173.08308	0.6
191.05649	0.7
209.11877	1.5
455.17368	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	455.098
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
59.01379	0.9
59.66071	0.3
61.98854	0.5
69.28764	3.3
71.01377	0.5
78.95912	81.8
79.95752	3.4
83.45837	0.4
83.56995	0.4
95.95246	1.0
96.96059	10.2
96.96969	100.0
98.20643	0.9
109.95110	0.4
115.94741	0.3
133.64226	0.3
138.98032	3.0
144.08110	0.4
146.03763	0.5
167.00154	0.4
172.76570	0.4
179.07141	0.4
180.99226	0.6
184.08774	0.6
186.79022	0.4
191.05585	1.4
198.06711	1.6
199.00140	11.5
200.00426	0.5
200.95549	0.5
212.08307	4.9
213.01704	9.0
241.07280	4.6
255.08876	6.5
437.08438	0.7
455.09869	30.0
456.10162	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	455.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61109	0.3
56.78248	0.3
79.95753	6.1
80.96537	1.5
95.95245	5.6
96.96021	100.0
99.50532	0.3
108.71434	0.3
116.92890	0.4
122.03690	0.3
122.97591	1.9
135.04526	0.6
136.01686	0.4
145.02969	0.4
146.03752	20.1
147.04283	0.6
150.03207	1.2
161.06093	4.1
162.03233	0.5
163.04016	1.1
164.04811	11.9
165.05415	0.9
177.05583	0.4
179.07152	11.8
180.07559	0.5
191.05586	0.5
195.06630	0.7
257.81110	0.4
258.02081	0.9
268.08817	0.3
275.02277	5.1
276.02756	0.3
328.49237	0.3
372.37112	0.3
455.10205	28.3
456.10672	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13013	0.3
57.03455	0.5
59.01382	1.4
61.98825	1.0
69.65379	0.9
69.65794	1.2
71.01417	0.6
79.95746	28.3
80.96529	1.6
84.11443	0.4
85.02962	0.5
87.00860	0.4
93.03480	0.7
95.95240	10.3
96.96021	100.0
99.04531	0.8
105.03477	0.6
108.02174	1.0
109.02919	0.9
110.97586	4.0
122.97572	0.4
123.04533	0.4
125.02531	0.5
133.02979	0.5
136.01628	0.9
136.99150	0.5
137.02440	1.3
141.95801	1.5
146.03738	1.2
149.02461	3.1
150.00159	1.5
151.03944	0.9
152.01085	0.4
161.06053	1.1
161.69502	0.3
163.04051	0.7
164.04791	1.3
164.98650	0.5
167.00197	3.3
169.53671	0.4
173.04581	0.6
175.04068	0.5
175.07620	0.4
177.01918	2.8
177.05571	1.6
179.03482	0.4
179.07135	0.9
191.05669	2.6
193.05133	0.5
257.01215	0.9
259.02792	3.0
275.02222	0.7
297.11295	0.6
306.57419	0.3
331.04971	0.7
364.12244	0.4
440.07751	4.2
441.08322	0.5
455.10196	75.6
456.10574	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	455.1351
Annotation	Azilsartan
Peak:m/z	Relative Intensity
54.25117	0.3
63.46971	0.4
69.50486	2.3
108.17107	0.3
112.50021	0.4
140.29694	0.4
182.25739	0.4
191.05663	0.5
191.08653	0.9
192.09462	2.0
206.07370	0.7
207.08034	0.6
219.08159	9.7
220.08940	66.8
221.09302	4.8
234.06909	1.0
247.05229	0.6
247.07674	6.2
248.08437	100.0
249.09174	70.5
250.09560	6.0
256.37753	0.4
263.10861	1.7
276.07690	0.4
291.10336	1.1
401.47162	0.4
411.14514	36.9
412.14825	4.8
455.13504	47.9
456.13815	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	455.2659
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
50.79944	0.8
57.03439	1.6
58.00592	2.0
59.01386	44.6
61.98823	1.9
71.01388	25.8
72.99302	2.7
73.02953	1.8
83.01417	2.4
85.02956	8.1
86.89869	0.8
87.00876	1.3
89.02448	23.1
95.01394	2.4
96.95982	1.1
98.19925	1.8
99.00880	1.5
101.02451	16.0
113.02459	9.0
119.03511	9.0
119.05011	2.3
124.89450	0.9
125.02422	0.9
134.03725	1.3
137.02405	1.1
149.09668	0.9
151.00375	1.6
155.10805	0.9
163.04015	2.5
171.10295	2.7
179.05650	0.8
183.10266	1.5
223.17052	1.9
275.20169	7.8
277.21729	3.0
293.21301	7.4
437.25555	0.9
455.16425	5.0
455.26535	100.0
456.26865	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	455.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.9
69.69286	16.3
163.93771	2.8
168.34125	2.9
170.05893	3.2
229.55760	2.8
277.18112	100.0
278.18375	9.6
279.19714	19.7
292.73703	2.9
295.19171	50.3
296.19479	5.9
318.23166	3.6
363.25418	15.6
369.22815	50.1
455.35190	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	455.3533
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.01387	1.2
62.67685	0.5
65.18291	0.5
71.43130	0.6
71.53506	0.7
90.17445	0.6
93.30088	0.6
106.14536	0.6
132.26378	0.5
137.47058	0.6
190.95560	0.6
204.74509	0.6
317.51648	0.7
343.93506	0.6
348.93671	0.7
450.83823	0.6
455.35339	100.0
456.35675	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57059	0.4
61.92459	0.3
69.22272	1.4
69.22693	1.5
79.95742	12.4
80.96519	4.1
83.81358	0.3
94.98094	1.5
95.94620	0.4
95.95243	10.5
96.96019	100.0
98.19879	0.6
108.02185	0.4
110.97600	1.0
120.90052	0.3
121.02967	5.3
122.97598	9.6
135.04532	0.3
137.02454	0.8
141.95770	0.4
150.03250	3.6
162.03275	1.6
163.04010	0.8
165.05571	1.4
166.06361	25.0
167.06689	0.9
167.52615	0.3
177.05646	1.6
180.04189	0.4
181.08719	5.3
193.12408	0.3
195.06660	0.4
209.71664	0.3
233.09627	0.4
245.01181	0.5
251.10745	0.6
258.02017	1.3
259.02670	0.6
273.17520	0.3
275.02335	19.6
276.02664	1.1
457.11755	46.4
458.12042	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	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	39.2
59.01388	8.9
70.84413	1.4
71.01394	3.2
73.02937	1.0
81.03495	0.7
85.02975	1.9
87.00923	0.8
89.02467	1.0
90.10577	0.6
91.01904	7.4
93.03459	9.3
95.20376	0.6
96.96024	2.2
99.04527	28.2
100.04964	0.6
101.02449	7.2
107.05022	0.8
108.02139	0.9
111.72805	0.6
113.02461	1.2
119.01382	3.7
121.02961	8.3
123.04559	0.8
125.02464	13.1
133.02971	1.5
137.02467	6.2
143.03511	0.9
151.04022	100.0
152.04347	4.1
153.01939	0.8
161.02440	2.7
161.04539	1.3
173.04555	2.6
179.03459	1.0
191.05626	9.3
192.06012	1.4
249.09235	1.8
250.09996	1.0
251.10782	3.2
253.08693	1.0
272.47845	0.6
277.80368	0.7
281.06708	2.7
295.09698	2.1
457.15079	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	457.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38183	0.2
57.32506	0.2
59.01379	0.5
62.46399	0.2
66.22159	0.2
69.62620	1.0
93.03451	0.3
111.06915	0.2
125.02477	0.3
152.03557	2.6
162.78528	0.2
171.08115	0.2
191.05594	0.6
193.06596	0.7
194.07413	0.5
207.08112	1.1
208.08899	0.6
209.09711	0.8
221.06226	0.3
221.09735	5.4
222.06963	0.4
222.10490	3.8
223.07587	0.3
223.11096	0.5
234.06854	1.0
235.07628	1.6
236.08417	5.5
237.08862	0.3
246.50726	0.2
249.09221	11.7
250.09973	11.5
251.10788	100.0
252.11125	8.9
268.07410	0.5
372.26581	0.2
457.15091	31.9
458.15424	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	457.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.0
63.25592	0.2
69.22623	1.1
69.23055	1.2
71.01391	3.2
71.51039	0.2
73.02959	1.7
83.01395	0.5
85.02954	1.0
89.02435	0.8
93.03469	0.5
95.01450	0.4
95.37251	0.2
101.02453	1.9
113.02462	1.5
119.03447	0.4
119.67106	0.3
161.04573	0.7
168.93484	0.2
173.04625	0.4
191.05614	1.9
193.06551	0.3
197.35208	0.2
200.73265	0.2
208.08961	0.3
221.06032	0.3
223.11472	0.3
233.09644	0.3
234.06873	0.7
235.07698	2.3
236.08434	3.2
237.08978	0.2
249.09235	12.4
250.09741	1.3
251.10799	100.0
252.11142	8.7
252.13228	0.2
268.07343	1.6
295.09769	10.6
296.10150	0.7
373.80878	0.3
399.26031	0.3
457.14984	2.8
458.15533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.7
62.97723	0.8
71.01382	6.6
73.02955	3.5
81.44301	0.8
83.01427	1.0
83.05061	1.1
84.55499	0.8
85.02947	4.9
87.00880	2.3
89.02471	2.5
93.03450	8.1
96.96008	1.6
98.19927	1.9
101.02444	3.3
102.20084	0.8
104.04517	0.9
109.02973	0.9
111.04524	1.7
113.02464	2.1
127.04021	1.2
128.03549	1.9
133.02971	1.8
134.03796	1.2
135.04562	5.5
161.02425	2.7
161.04535	1.6
163.04033	2.0
173.04547	8.2
177.02040	1.0
179.03455	1.7
191.05624	37.1
192.05952	4.2
221.06087	1.1
221.09827	1.1
223.07780	1.1
233.09782	2.5
234.06815	3.8
235.07658	7.9
236.08342	3.8
248.08328	1.2
249.09244	26.2
250.09935	23.0
251.10777	100.0
252.10968	9.8
253.12416	1.4
263.10739	3.8
265.12354	2.9
268.07477	2.4
275.07156	1.8
277.08722	2.1
279.10309	2.2
281.11902	2.7
290.14337	1.2
291.10379	4.8
293.08353	1.5
294.08951	6.1
295.09763	62.1
296.10101	5.3
307.09766	2.4
309.11295	6.9
337.10852	4.4
380.27716	1.0
399.60455	1.4
448.13229	1.0
457.15140	11.1
458.15149	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	457.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81217	2.8
57.03458	4.5
59.01388	37.7
70.82846	7.9
70.83160	2.8
71.01392	50.1
72.99319	3.4
73.02952	16.2
82.32412	2.8
83.01399	8.8
85.02972	27.0
87.00882	5.0
89.02457	6.3
96.96059	5.2
99.00893	7.7
101.02452	53.3
102.02874	3.4
113.02460	17.5
129.02057	2.8
161.04561	23.2
174.28687	3.5
191.05777	3.2
192.12634	3.2
196.64865	3.3
206.08063	3.0
218.40686	3.1
235.11879	30.2
254.27342	3.0
306.98608	3.8
341.77066	3.4
344.79916	3.1
397.17172	100.0
398.17593	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	457.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80937	1.4
57.03454	14.0
58.02988	2.2
59.01385	83.1
64.09130	1.2
67.01898	2.5
68.73749	1.4
71.01386	11.6
71.54636	1.4
73.02957	4.6
73.04073	4.1
83.01411	2.4
85.02950	12.7
86.49748	1.3
87.00888	6.2
89.02462	4.4
93.03468	15.7
94.03798	1.8
96.96025	9.2
98.02492	3.0
99.04512	13.7
101.02450	9.7
104.25903	1.6
109.02969	1.6
111.04535	3.2
113.02457	5.0
115.05141	12.4
119.03524	2.0
119.05031	5.5
122.03751	5.6
125.02454	12.4
127.04041	1.6
128.03546	1.6
129.10336	2.7
130.08748	33.7
131.09055	1.5
133.02995	2.8
134.03780	3.7
135.04524	8.5
136.21086	1.5
137.02388	1.5
143.11913	1.7
152.03551	100.0
155.03532	2.5
157.13487	14.5
161.02478	3.4
161.04541	2.1
163.03964	2.2
163.07617	1.6
166.68840	1.3
168.11401	1.3
173.04562	14.8
176.04047	4.2
179.03503	6.8
191.05630	71.4
192.04247	1.4
192.05997	8.2
192.07521	1.4
193.05017	2.7
194.04683	1.5
201.12407	4.6
210.12392	1.8
226.06319	5.0
249.08867	1.8
251.10841	2.2
255.06706	1.7
268.64267	1.3
270.21875	10.5
285.07593	3.9
295.09836	2.6
327.23978	3.2
336.55289	1.4
352.78616	1.5
353.09354	1.3
413.24051	56.6
413.29572	2.8
414.24417	5.1
457.11096	11.6
457.21201	2.6
457.26447	7.4
458.19336	1.7
481.47250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.3
58.02985	2.2
59.01385	90.6
61.98817	1.4
67.01915	2.5
69.03455	1.6
69.30911	6.7
69.31323	3.8
71.01394	9.9
73.02955	6.5
73.04069	4.2
75.43531	1.2
83.01379	2.1
85.02979	12.0
87.00881	5.3
89.02435	4.2
93.03474	12.8
96.96000	6.2
98.02499	3.1
99.04520	10.5
101.02445	9.9
102.10985	1.3
109.02953	2.8
111.04513	4.4
113.02462	4.6
115.05135	13.4
119.03588	1.2
119.05049	3.9
122.03751	4.6
122.40443	1.3
123.00725	1.3
125.02467	12.8
125.62813	1.5
127.04041	1.9
128.03568	1.9
129.10352	2.7
130.08749	31.2
133.02950	3.9
134.03758	5.8
135.04520	7.2
137.02431	1.8
145.02902	2.8
148.90179	1.5
152.03549	100.0
157.13487	15.2
161.02438	4.7
162.03006	1.5
163.04036	2.8
168.11401	2.1
169.09787	1.5
173.04567	13.9
174.04843	2.3
175.03957	3.0
176.04077	4.6
176.48950	1.2
177.61617	1.5
179.03487	3.7
179.05640	2.5
183.11389	2.5
191.05629	72.7
192.05965	6.6
193.05016	1.7
201.12474	4.9
226.06348	7.0
235.13240	1.3
249.09172	1.7
270.21881	14.1
278.28598	1.3
285.07654	3.4
311.07870	1.5
327.23947	4.1
335.07266	1.3
355.13730	2.8
371.20468	1.3
376.14246	1.3
413.24057	56.4
414.24329	4.6
415.20004	1.5
439.25311	1.8
448.13562	2.0
457.11295	15.4
457.16360	1.7
457.21191	2.4
457.26675	8.5
458.11499	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	457.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91611	0.1
68.40270	0.2
69.38950	0.5
69.39374	0.6
86.32912	0.1
88.19610	0.1
99.92591	5.2
100.92667	0.4
100.93370	4.0
101.93371	0.2
115.92090	100.0
116.92097	4.8
116.92879	6.5
117.92939	0.2
132.92404	0.9
142.94440	0.4
143.30525	0.1
155.95222	0.3
172.95476	5.3
184.30251	0.1
208.59778	0.1
283.26498	0.6
383.19156	0.7
392.59448	0.1
399.18402	0.2
409.20532	1.0
410.20886	0.2
439.21497	0.3
457.22678	4.6
458.23090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62215	0.4
57.03452	2.4
57.80358	0.4
58.00596	0.7
59.01385	100.0
60.01719	0.8
60.56528	0.4
63.89765	0.4
67.01917	0.8
69.03450	0.6
69.19038	4.4
69.31799	0.4
71.01389	16.5
71.05051	1.0
72.09604	0.5
73.02951	4.2
80.58434	0.4
81.03482	1.7
83.01381	2.5
85.02962	8.0
86.00090	0.4
87.00887	2.2
89.02454	5.4
93.03458	4.9
94.26855	0.4
95.01385	2.0
97.02952	0.6
98.19852	0.9
99.00919	1.5
99.04544	1.7
101.02457	9.4
102.05632	0.7
111.00915	0.7
111.04551	0.9
112.01736	0.7
113.02469	11.9
114.26921	0.4
119.03503	2.8
121.02911	0.4
125.02468	0.8
127.04044	0.6
128.03569	0.8
133.02991	1.4
134.03616	0.6
135.04550	2.3
137.02502	0.8
143.03543	1.3
147.04547	0.4
149.06050	0.4
153.12852	0.5
155.03484	0.7
161.02446	2.4
161.04523	3.2
173.04555	7.4
174.04926	0.6
179.03580	0.9
179.05659	0.6
191.05640	19.4
192.06058	1.4
215.16638	0.5
235.07742	1.0
236.08424	1.0
240.04486	0.5
249.09157	3.4
251.10786	27.7
252.11211	2.0
253.09247	0.5
253.18184	0.6
268.07385	0.6
285.04156	0.6
295.09842	4.0
325.16718	0.6
335.07889	1.0
356.15033	0.6
361.07306	0.5
377.15463	1.1
377.22089	0.6
397.22314	7.8
398.22867	0.9
415.23349	7.0
416.23779	1.0
457.15158	1.7
457.26236	0.6
458.27631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3327
Annotation	Platanic acid
Peak:m/z	Relative Intensity
59.01358	0.8
60.76171	0.8
69.03458	5.4
71.05021	1.0
72.72579	0.9
74.97079	0.8
88.20912	0.8
91.05688	0.9
93.03468	1.6
94.65137	1.1
95.05022	1.0
104.27167	0.9
107.04990	1.1
107.81359	0.8
109.06605	26.7
116.35474	0.8
123.52255	0.9
128.72198	0.8
137.06079	1.3
153.56715	0.9
248.04092	0.9
325.29068	1.8
341.28543	3.5
355.30081	12.7
356.30585	2.1
357.31616	16.3
358.31970	2.6
369.31592	4.4
370.31955	1.1
379.30002	4.5
385.30948	3.0
385.34897	3.4
395.29178	4.4
395.33865	1.5
397.31149	36.2
398.31604	4.9
411.32928	4.6
413.34274	100.0
414.34576	14.3
457.33246	47.3
458.33496	7.4
481.85367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01162	0.4
59.01390	4.6
60.09437	0.4
69.23338	1.0
69.23737	4.1
71.01382	0.7
73.02944	1.0
74.02483	2.2
75.35956	0.5
82.02993	0.7
83.05038	1.4
84.04559	5.1
85.02959	1.4
93.03468	1.0
97.06593	1.2
99.08174	3.7
100.04037	0.7
100.07704	2.0
102.05621	52.4
125.09689	1.2
128.03554	63.2
129.03917	1.4
133.02913	0.6
146.04607	10.8
157.65465	0.5
165.12909	0.6
167.14383	0.6
171.10280	1.2
173.04576	0.9
183.13913	2.3
184.17094	0.7
191.05591	3.0
193.12378	2.7
209.11763	0.9
211.13417	17.4
212.16513	0.6
224.20206	0.8
229.14444	10.4
252.19882	0.6
293.21149	0.5
294.08704	0.7
295.09521	1.4
296.09955	0.6
311.22263	1.6
314.19760	0.7
315.10870	0.6
329.23358	39.2
330.23776	3.5
414.28580	5.6
416.05679	0.7
428.76096	0.5
440.26581	8.0
441.27002	1.7
449.14407	0.5
458.27646	100.0
459.07220	2.2
459.27960	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01389	1.2
61.98838	0.4
62.62000	0.1
69.33286	0.3
69.33684	1.0
71.01379	0.2
81.03477	0.5
85.02929	0.2
89.03970	2.1
90.04326	0.2
93.03474	2.3
95.05047	0.3
96.96033	0.3
101.02446	0.2
104.02676	0.5
105.03471	4.2
106.03783	0.2
121.02975	0.3
133.02972	9.7
134.03418	0.1
137.02463	2.9
148.01688	0.8
149.02426	1.0
151.03972	0.4
153.04338	0.2
173.04567	0.2
176.01164	1.7
177.01942	100.0
178.02281	4.9
188.33618	0.2
191.05670	0.5
193.05101	0.4
211.86319	0.2
253.12376	0.2
339.07190	1.8
339.64917	0.2
367.08154	0.2
400.80673	0.1
459.09323	10.0
460.09686	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	459.136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91729	1.6
59.01375	5.4
63.68223	1.7
66.88733	2.1
68.44627	1.8
70.87242	5.4
71.01397	3.0
73.02953	39.1
83.38123	1.7
89.02435	4.8
92.95997	2.8
96.95995	2.6
99.00877	7.5
100.26321	2.1
116.92854	13.2
116.97257	3.2
117.01950	100.0
118.02295	2.3
118.05077	2.3
127.97790	1.9
173.62352	2.0
176.98003	2.2
191.90463	1.9
220.59618	2.1
341.10916	3.9
476.30377	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	459.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01737	1.0
59.01366	1.5
59.79894	0.9
60.29059	1.1
67.73565	1.0
69.43629	3.2
69.44054	3.9
71.01397	1.1
71.94998	0.9
72.00883	0.9
73.02955	43.8
74.45228	1.0
89.02470	1.5
96.96085	1.0
97.67000	1.1
99.00868	4.5
99.64745	0.9
117.01954	100.0
118.02264	3.2
118.05095	3.4
166.89024	1.1
186.74153	1.0
276.15359	1.0
297.51566	1.0
314.10980	1.1
338.81726	1.0
341.10968	2.2
351.54419	0.9
408.82300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
59.01385	32.4
61.98830	1.7
62.11457	0.4
63.00382	0.4
64.19034	0.6
70.62348	0.7
70.62664	0.8
71.01387	0.9
89.02448	1.5
91.03970	0.7
91.53199	0.5
93.03465	0.6
96.96022	9.2
97.75658	0.5
109.02974	1.4
116.92949	0.6
117.03465	5.2
119.05041	32.5
120.05375	1.5
121.02995	0.7
123.04494	0.7
128.03543	0.7
145.02966	45.6
146.03275	1.9
153.01956	1.7
153.05563	1.3
162.03093	0.5
163.04034	13.6
185.06209	0.7
191.05670	2.3
221.88219	0.5
229.05058	0.9
237.07700	100.0
238.08080	6.3
251.68864	0.5
275.02209	0.4
323.13531	0.7
459.09875	3.2
459.19531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.3
59.01389	12.3
61.98847	2.4
69.41711	7.8
71.01402	3.1
73.02960	1.3
79.95737	1.5
85.02980	1.3
88.34860	1.0
89.02444	2.6
91.04002	1.1
93.03494	1.3
96.19473	1.2
96.96017	17.8
98.19968	1.9
99.04520	2.7
101.02481	1.5
105.62564	1.2
108.02152	2.5
108.46407	1.1
109.02966	13.5
116.92907	1.5
117.03471	7.1
119.05048	36.1
120.05416	1.9
125.02482	1.5
145.02971	46.3
146.03271	2.4
152.01164	2.5
153.01920	13.4
153.05603	8.9
163.04050	12.4
168.04352	1.5
173.04573	1.5
182.27591	1.3
183.06648	1.2
191.05618	3.0
237.07695	100.0
238.08035	6.6
300.77927	1.3
315.07202	3.8
322.89545	1.1
356.49576	1.2
357.08124	2.5
397.11566	1.5
454.45248	1.3
459.10889	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.3
59.01389	12.3
61.98847	2.4
69.41711	7.8
71.01402	3.1
73.02960	1.3
79.95737	1.5
85.02980	1.3
88.34860	1.0
89.02444	2.6
91.04002	1.1
93.03494	1.3
96.19473	1.2
96.96017	17.8
98.19968	1.9
99.04520	2.7
101.02481	1.5
105.62564	1.2
108.02152	2.5
108.46407	1.1
109.02966	13.5
116.92907	1.5
117.03471	7.1
119.05048	36.1
120.05416	1.9
125.02482	1.5
145.02971	46.3
146.03271	2.4
152.01164	2.5
153.01920	13.4
153.05603	8.9
163.04050	12.4
168.04352	1.5
173.04573	1.5
182.27591	1.3
183.06648	1.2
191.05618	3.0
237.07695	100.0
238.08035	6.6
300.77927	1.3
315.07202	3.8
322.89545	1.1
356.49576	1.2
357.08124	2.5
397.11566	1.5
454.45248	1.3
459.10889	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	459.2909
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
58.32507	0.3
69.35432	0.2
86.96885	0.2
107.05041	31.0
108.05406	0.9
120.72452	0.3
123.04442	0.3
147.08139	0.8
160.93744	0.2
163.11302	100.0
164.11630	5.4
229.27687	0.3
238.09947	0.3
262.81122	0.2
264.95697	0.3
280.14795	0.5
283.17062	25.0
284.17410	2.2
295.17056	15.8
296.17374	1.3
414.30923	0.3
459.29071	80.9
460.29425	12.5
460.36035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3121
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
56.05979	0.6
59.01370	1.0
63.84708	0.9
69.03466	6.7
71.05048	0.7
80.02663	0.9
81.03442	1.1
93.03458	1.0
98.20663	1.8
107.05042	5.9
109.06606	82.3
109.95407	0.8
110.06940	3.1
129.91196	0.7
154.66194	0.7
211.85838	0.6
277.17554	0.7
286.25461	0.7
303.26962	3.9
327.27029	0.8
341.28525	2.9
343.30078	39.6
344.30450	4.3
345.28235	0.8
353.32285	0.8
355.30075	0.7
369.31711	0.8
371.33246	15.4
372.33566	1.9
379.29984	0.9
397.31107	11.5
398.31320	1.4
415.32227	58.9
416.32535	9.3
459.31192	100.0
460.31613	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	460.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51633	0.5
59.01388	2.7
61.98836	100.0
62.45663	0.5
69.47567	2.6
69.47980	1.0
71.01395	2.1
85.02960	0.7
85.14407	0.5
87.00913	0.6
89.02480	1.2
95.01417	0.7
96.96031	4.7
96.96967	0.6
101.02465	1.7
103.16926	0.5
104.63868	0.6
110.02570	0.5
113.02516	0.6
119.03517	0.6
122.32639	0.5
125.85291	0.5
137.02531	1.2
163.04099	0.5
167.01747	1.2
179.03534	0.7
191.05649	1.1
193.01505	0.8
208.03847	1.7
211.89847	0.5
223.06113	4.1
299.05698	1.9
399.05508	0.5
400.18570	0.7
403.12631	1.4
431.83243	0.5
461.17746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.98837	100.0
65.39783	0.3
70.54418	0.7
70.54745	0.5
71.01392	1.3
74.87726	0.3
85.03014	0.4
87.00913	0.4
89.02443	0.6
93.03493	0.9
95.01412	0.4
96.96042	2.3
101.02443	0.6
109.02961	0.4
119.03481	0.4
120.01288	0.6
121.03020	0.4
133.03036	0.4
137.02483	2.4
167.01768	1.0
181.39249	0.4
185.41533	0.3
191.05556	0.4
225.66351	0.4
238.07990	0.4
281.06985	0.6
299.05600	1.8
305.00705	0.3
400.18457	0.5
461.12500	1.1
482.29742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
53.98637	0.3
65.00340	0.3
69.97279	1.3
97.03029	0.4
98.19962	0.3
106.69007	0.3
132.02185	0.8
133.02974	10.2
134.03342	0.4
135.00897	0.5
140.57080	0.3
163.04042	0.5
165.01923	1.9
174.03229	0.2
180.49893	0.2
183.04501	0.4
186.03278	0.4
187.04025	0.7
188.04759	0.7
195.04535	0.4
199.04057	1.1
200.04825	1.2
201.05466	0.3
211.04019	3.0
212.04800	3.7
213.02072	0.3
214.02773	0.4
223.04039	0.5
225.05586	0.8
227.03496	2.0
228.04218	0.7
239.03490	1.5
240.04295	1.0
241.04959	0.6
255.03032	2.1
256.03784	11.3
257.04251	0.8
267.03110	1.2
268.03821	1.2
269.04553	3.2
270.05222	0.7
283.02493	3.8
284.03290	13.6
285.03717	0.8
297.04166	0.7
298.04855	3.6
299.05627	100.0
300.05997	7.3
341.06601	0.6
461.10925	12.7
462.11292	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	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01382	2.8
61.83421	0.3
63.02423	0.4
69.87095	1.1
69.87526	0.5
71.01387	0.8
83.88063	0.3
85.02949	0.4
93.03484	0.8
97.02951	0.4
100.10437	0.4
101.02434	0.7
107.01454	0.4
107.80647	0.3
109.02907	0.3
109.06608	2.5
111.15482	0.3
113.02528	0.3
125.02448	0.3
133.02921	0.3
135.04530	1.0
137.02473	0.9
151.00356	0.8
153.01924	0.4
161.02463	0.3
163.11339	1.6
179.03529	0.4
181.12454	0.3
182.03792	0.3
183.04535	0.4
191.05638	1.1
191.54924	0.3
207.10280	7.0
211.03851	0.3
213.82611	0.3
225.11328	3.5
226.11601	0.4
227.03535	0.4
232.37363	0.3
253.09210	1.5
255.03012	80.5
256.03412	6.7
267.02966	0.3
268.03769	0.8
269.04550	4.9
270.04980	0.4
281.04407	0.3
283.02512	60.6
284.03152	13.0
285.03955	3.4
297.00684	0.6
297.04065	13.1
298.04828	15.6
298.93777	0.3
299.05585	11.7
300.06107	1.0
313.03564	4.4
314.03976	0.5
327.05087	0.4
341.06873	0.6
389.00208	0.4
399.11606	0.4
446.08575	19.3
447.08957	2.1
461.10925	100.0
462.11307	11.9
462.20673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.4
60.32644	0.7
64.25507	0.6
65.00349	1.1
70.91638	0.7
70.91980	1.1
77.92635	0.6
83.01382	0.8
85.02968	0.7
86.07335	0.6
89.02466	0.7
93.03543	0.8
97.02950	1.5
101.02474	1.4
107.01392	1.1
109.06590	5.1
117.03525	0.8
119.03544	0.7
130.98888	0.7
135.08109	0.8
149.02486	0.6
151.00375	1.5
161.02477	0.7
161.04504	1.1
163.11314	2.9
189.14268	0.6
191.05588	0.8
207.10283	19.2
208.10603	1.4
225.11328	9.3
253.09349	2.8
255.02998	69.6
256.03580	9.6
267.02924	0.8
268.03879	3.6
269.04559	18.3
270.04877	1.4
281.04556	2.8
283.02505	47.6
284.03250	53.5
285.03659	4.2
295.02332	1.0
297.04056	49.9
298.04807	53.0
299.05618	100.0
300.05969	7.7
313.03677	0.9
341.06714	2.9
433.79977	0.6
446.08459	2.7
448.21735	0.7
461.10907	74.4
461.20001	5.2
462.11301	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	461.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65925	1.0
57.03449	1.5
59.01384	15.6
61.98861	1.1
65.00358	1.1
71.01380	5.7
71.50626	1.9
71.95157	1.1
73.02961	2.6
75.00885	2.9
85.02974	2.7
87.00870	1.0
88.04046	2.8
89.02452	3.6
91.01886	2.2
91.04017	4.4
93.03465	3.6
93.89830	1.0
96.99316	2.3
100.31786	1.0
101.02446	3.5
109.02953	6.0
109.06582	1.8
111.00866	1.8
119.70007	1.1
121.02917	1.3
123.00822	1.3
123.04514	4.7
124.01691	1.5
133.02969	2.6
134.03738	8.5
135.04550	9.8
136.05261	1.1
137.02426	4.8
145.02968	39.9
146.03764	17.7
148.01643	3.3
158.03758	9.8
159.04523	16.9
160.05211	1.4
161.06108	5.3
163.04027	5.3
173.04672	2.1
173.06084	5.2
174.03262	1.7
175.04041	1.3
179.03516	10.5
179.07133	2.0
185.06024	2.5
187.03914	2.8
191.05652	5.3
193.04956	2.2
195.04463	2.0
197.06076	1.3
207.10274	3.7
211.03908	1.7
213.05583	10.0
223.04012	2.1
224.04764	2.2
225.05643	1.3
225.11327	10.7
239.07103	2.4
240.04271	1.4
241.05093	45.1
242.05426	2.5
249.05647	2.1
250.06294	1.2
251.07080	2.0
253.09145	1.4
255.02986	1.5
256.07428	36.4
257.07755	1.7
266.05865	9.7
267.06598	9.2
271.09781	100.0
272.10147	7.7
277.05124	1.9
278.05640	1.2
280.07370	1.1
281.08478	10.5
282.09003	9.7
283.02609	1.4
284.03326	1.4
285.04172	6.1
294.05341	1.7
295.06174	16.3
297.03949	1.7
297.11270	2.0
298.04919	1.5
299.05588	13.4
300.06143	1.4
309.07684	3.4
310.08466	16.9
311.08646	1.6
325.10782	15.1
326.11188	2.3
339.05423	1.2
346.23227	1.4
354.07455	7.9
355.07675	1.2
369.09821	61.1
370.10065	6.4
387.11011	2.4
461.14969	2.0
461.20251	2.6
461.25827	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.7
59.79547	1.4
61.98827	1.6
71.01383	5.3
71.54687	1.5
73.02956	1.6
78.95908	1.7
83.05024	3.2
85.02954	2.6
87.00880	1.5
89.02445	6.8
91.17636	1.3
96.96011	2.4
97.02932	7.6
99.00839	2.3
101.02445	6.9
104.71261	1.4
106.63139	1.4
109.06608	29.7
110.03765	1.7
111.65922	1.8
113.02438	3.1
121.06586	2.0
131.84271	1.4
135.08171	2.8
136.05325	1.8
142.02782	2.5
152.99593	1.5
161.04585	2.7
161.09882	1.5
163.11319	19.4
176.40820	1.5
181.12341	6.0
189.09177	2.1
207.10274	100.0
208.10637	6.9
225.11336	59.9
225.13594	2.2
226.11671	3.1
253.09309	17.1
285.03906	2.8
299.05606	6.3
299.14804	3.2
382.99835	1.7
397.43021	1.6
461.20319	59.9
461.27249	2.2
462.21097	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28071	7.8
57.82552	5.8
59.01388	82.8
61.98835	100.0
66.61170	6.7
69.25233	6.1
69.33597	11.3
69.34011	37.2
71.01386	40.5
73.02957	22.7
85.02979	9.6
89.02457	9.2
101.02448	22.9
119.05036	35.4
122.57030	7.4
133.02979	10.5
135.04538	22.2
138.80199	6.7
145.02972	9.8
161.02441	20.0
163.04030	31.7
185.98259	7.7
195.13879	17.7
253.07231	21.6
357.19241	16.1
375.20187	29.6
399.10950	98.8
417.21335	95.8
418.21970	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	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
58.76336	0.6
58.99602	0.7
59.01386	100.0
60.01734	0.9
61.98838	30.2
63.55665	0.6
68.47868	0.7
69.48989	1.9
69.49398	2.6
71.01387	19.8
72.99332	2.1
73.02962	2.5
75.00877	1.1
78.95959	0.7
79.95775	0.9
83.01403	1.4
83.05067	0.6
85.02964	18.3
87.00900	4.8
89.02452	17.5
93.03468	3.8
95.01408	1.3
96.96021	31.1
96.96960	1.4
97.02971	2.8
98.95596	0.9
99.00889	1.6
101.02453	11.3
101.03017	0.9
102.98608	1.3
109.02942	1.0
111.04551	1.3
113.02474	7.6
116.92876	1.2
119.03526	7.7
119.05019	1.3
119.37971	0.7
121.02959	1.1
127.04077	0.7
129.02026	1.2
131.03508	1.3
132.02170	0.8
133.02975	7.2
137.02484	0.8
137.06158	1.8
137.09804	1.1
140.01192	1.1
143.03520	1.7
149.04564	0.9
149.09727	4.5
153.01903	0.9
155.03571	1.4
159.03056	1.4
161.04553	8.6
163.11409	1.1
165.01956	1.1
172.04230	1.0
173.04665	1.7
177.09282	1.0
179.05714	3.1
183.03098	0.9
183.95108	0.7
187.06372	1.7
188.08588	0.9
191.05629	17.0
199.03940	0.7
200.07280	1.7
203.10753	5.4
204.10956	0.7
211.04181	2.8
212.04886	2.5
215.05890	5.5
221.11824	7.4
225.11319	5.5
227.03439	1.0
238.96007	0.7
239.12881	4.5
240.04373	0.7
244.06206	0.8
244.09785	5.6
254.96504	0.9
255.03036	1.2
256.03784	8.0
259.04926	2.9
263.02863	2.3
263.53238	0.8
267.03101	0.9
269.04562	3.1
283.02551	2.2
284.03296	9.8
284.06207	1.1
285.03940	1.4
288.08887	1.6
297.53815	0.9
298.04861	3.0
298.08017	0.8
298.95990	1.5
299.05630	77.9
300.05942	6.0
315.14639	1.9
343.14282	2.1
358.05606	0.9
401.18329	4.4
461.11075	9.4
461.20621	1.9
462.14255	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	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56280	1.4
53.95569	1.2
55.01865	1.5
57.03454	2.2
59.01387	51.1
61.98832	19.4
63.93007	1.3
68.89280	1.3
69.47710	5.2
69.48134	3.3
71.01014	2.3
71.01392	36.3
73.02956	11.7
75.00869	3.4
75.28149	1.2
78.95905	2.3
83.01422	1.8
85.02953	16.9
87.00874	1.8
88.21770	1.3
89.02453	24.9
89.07358	1.2
95.01378	2.3
96.96021	34.0
97.02966	3.4
98.95624	2.7
99.00896	3.2
101.02457	21.4
102.98621	3.2
109.02893	1.4
113.02457	15.3
119.03521	10.8
119.05015	1.7
119.68703	1.3
123.08262	1.6
131.03555	2.3
133.02960	11.4
137.06050	1.4
138.06902	10.6
139.07635	4.5
140.01088	1.5
143.03488	3.7
151.07686	12.2
152.08380	4.7
153.09225	61.2
154.09579	3.0
155.03491	1.4
159.03033	2.5
161.04562	15.6
165.09204	9.7
179.03491	1.4
179.05644	5.1
191.05563	3.7
196.01880	1.9
203.10713	3.6
206.09457	3.2
211.04298	11.3
212.04715	3.5
218.38605	1.5
221.11835	25.2
223.04027	1.3
227.03519	2.7
239.03554	2.3
239.12901	37.3
240.13306	1.9
255.03011	3.4
256.03796	12.9
263.02917	1.8
269.04614	4.4
270.05225	1.9
283.02527	2.9
284.03278	15.3
285.03766	1.9
297.04065	1.5
298.04794	3.7
298.95581	2.1
299.05630	100.0
300.06079	8.3
301.07727	1.6
383.17261	1.5
401.18332	8.0
461.10965	14.3
462.11316	1.4
482.69122	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	461.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	83.3
78.95842	45.9
113.35153	44.7
126.31596	41.6
290.09711	61.0
299.05615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
61.98837	100.0
62.14244	1.0
69.03461	1.3
69.58091	1.1
69.58450	6.7
78.41608	0.9
117.03457	1.7
119.05041	24.9
120.05363	1.5
130.86476	1.0
133.02971	5.6
135.04552	16.2
145.02975	13.8
161.02472	21.9
161.06059	2.8
163.04037	32.1
164.04355	1.2
174.30693	1.0
179.03526	4.8
180.14964	1.0
200.33276	1.0
205.49573	0.9
206.45451	1.0
214.00955	1.1
235.06137	3.9
253.07185	16.9
376.22470	1.1
399.10880	87.7
400.11154	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	462.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.5
61.98836	100.0
69.19292	2.7
69.19723	3.5
71.01417	0.9
74.02491	2.5
80.87949	0.6
98.19872	1.3
101.81150	0.7
114.00788	0.6
117.67767	0.6
119.05040	8.1
121.39742	0.6
133.03006	2.1
135.04549	3.7
145.02943	3.3
160.39243	0.6
161.02458	5.8
161.06090	1.0
163.04044	9.6
173.04555	1.2
179.03529	1.4
187.72285	0.6
191.05643	2.4
213.62723	0.6
217.58397	0.6
235.06128	1.3
253.07167	4.0
270.05249	0.8
381.09845	1.9
399.10870	24.7
400.11368	2.8
445.09119	1.1
461.31158	0.8
462.26938	1.8
463.26770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01386	2.9
61.98835	100.0
64.41080	0.3
66.72005	0.3
69.44949	0.3
70.56054	0.3
70.66323	0.5
70.66658	0.4
71.01397	1.3
73.02973	0.5
73.25159	0.3
80.02695	0.4
81.03483	0.4
83.05035	1.3
83.48566	0.3
85.02978	0.6
89.02483	1.3
93.03488	0.9
96.96024	1.8
98.95625	0.6
101.02457	1.2
103.18175	0.3
113.02468	0.9
119.05051	0.7
133.03001	0.7
135.04546	0.6
145.02965	1.9
150.03166	0.5
161.04625	0.3
163.04115	0.8
163.11328	1.0
165.05620	0.8
165.12874	0.8
173.04607	0.7
191.05658	2.1
207.10352	0.3
209.11836	28.4
225.11279	0.7
227.12935	4.3
231.78363	0.3
253.09334	3.9
256.03329	0.4
263.53058	0.9
284.03250	0.6
285.03851	0.4
299.05692	1.4
300.06018	3.0
399.12997	3.6
400.13541	0.4
462.11237	0.8
472.47345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39803	0.3
59.01382	4.1
61.98837	100.0
68.94958	0.3
69.59029	2.0
71.01397	1.2
83.90412	0.3
85.02970	1.2
87.00887	0.6
89.02476	0.6
93.03468	1.7
95.49989	0.3
96.96021	2.5
97.03003	0.4
101.02498	0.8
111.04585	0.5
113.02489	0.4
119.03590	0.4
121.02962	0.3
125.02433	0.4
133.02992	0.8
151.18416	0.3
161.04543	0.6
166.41017	0.4
172.04106	0.7
173.04565	1.0
183.14012	0.3
186.05653	0.3
187.06355	0.7
191.05643	10.1
192.05972	0.6
200.07245	0.8
211.98494	0.3
212.04678	0.5
215.05910	3.4
239.12897	0.4
240.13324	0.5
244.09827	3.6
256.03729	0.6
257.04214	0.7
259.04776	1.4
263.52988	0.3
270.07901	0.5
275.46777	0.3
284.03241	0.6
285.03775	0.8
288.08893	0.9
299.05627	3.6
300.02966	0.3
300.05984	8.6
301.06525	0.4
374.04187	0.4
402.18649	0.6
403.19852	0.4
462.14560	4.4
463.14264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.6
61.98837	100.0
69.19196	2.2
69.19604	5.7
71.01376	3.0
73.02942	1.9
74.02483	1.9
75.14549	0.8
83.01411	1.4
85.02962	0.8
89.02460	1.1
101.02451	2.7
113.02459	2.2
133.02937	0.8
151.00343	1.0
161.02438	1.1
186.91901	0.8
189.39940	0.8
191.05637	2.9
209.11816	1.0
284.03137	2.6
285.04068	6.5
381.09866	2.4
399.10620	1.0
462.27280	2.0
463.10199	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	462.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81376	0.5
54.95895	0.5
59.01387	15.2
61.98837	100.0
65.00342	0.5
69.03458	0.6
69.66096	1.1
69.66503	1.8
71.01393	2.2
73.02959	2.0
74.02490	2.2
83.01411	1.0
85.02943	0.8
89.02477	1.1
93.03477	1.3
94.09349	0.5
96.96033	0.7
101.02453	2.4
113.02470	1.2
128.03561	0.5
133.03006	1.3
137.02499	0.6
149.02417	0.5
151.00418	1.0
156.52609	0.6
157.97639	0.5
173.04642	1.5
179.03609	0.7
188.08049	0.7
191.05605	3.4
199.04089	0.7
209.11755	0.6
215.72104	0.6
227.07155	1.0
255.03151	0.6
256.03799	1.7
270.05331	0.9
271.05917	0.8
283.02643	1.2
284.03235	3.5
285.04083	11.1
381.09970	2.9
399.10995	1.8
462.27005	3.0
463.10416	8.3
483.52621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.9
61.98835	2.7
65.00323	1.8
70.22269	1.0
78.95915	7.7
83.01370	1.7
85.02972	1.5
93.03431	1.0
96.96022	2.0
98.20769	2.4
107.01383	3.1
119.05021	1.7
125.02353	1.5
132.02145	1.1
133.02956	10.9
136.28581	1.0
149.02414	2.0
151.00374	9.1
152.99605	10.5
153.47614	1.1
161.02428	1.7
171.98650	1.0
175.04005	1.7
183.04527	1.1
191.05592	1.9
195.50635	1.0
199.03970	3.2
201.01845	1.3
209.11847	6.6
217.00415	1.2
227.03474	3.6
241.05130	1.6
255.03008	47.6
256.03772	36.0
257.04147	1.9
281.04407	1.1
283.02487	64.8
284.03275	100.0
285.04031	71.6
285.06659	1.0
286.04413	4.8
363.11194	1.0
381.09726	1.3
433.09338	4.9
445.09442	6.5
456.14221	1.1
463.10339	8.6
463.20767	1.6
464.10617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
61.98859	1.0
63.02414	1.2
65.00334	1.8
68.43182	0.8
69.36081	6.3
78.95927	2.2
83.01394	1.3
86.18739	1.0
86.29855	0.9
98.97469	0.8
107.01431	3.7
125.02467	1.7
133.02980	9.3
145.03043	0.8
149.02518	2.8
151.00377	10.4
152.99600	3.1
159.04539	1.1
173.04767	1.1
175.03990	2.9
183.04524	2.1
191.05646	1.4
199.04034	3.2
207.10365	1.1
209.11943	2.5
211.03964	1.7
217.05090	1.8
227.03568	3.8
242.02354	0.9
243.03059	1.5
255.03009	79.7
256.03751	40.6
257.04214	3.7
283.02509	100.0
284.03268	100.0
285.04053	91.8
286.04474	3.8
433.09006	1.5
445.09338	3.8
463.10364	14.3
463.20316	1.1
464.10550	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	463.125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00558	0.6
59.01385	6.6
61.98835	3.7
65.00315	0.9
66.74475	0.6
68.73989	0.6
69.03433	1.1
70.30374	1.5
71.01384	2.9
73.02983	0.7
79.01904	1.2
80.02711	0.7
81.03458	2.5
83.01382	2.4
83.05012	2.4
85.02957	6.1
87.00870	1.7
89.02428	1.4
93.03445	4.1
94.99751	0.5
95.01389	1.3
95.05042	0.6
96.96002	1.2
97.02945	3.6
98.20531	0.9
99.00916	0.6
101.02448	2.5
105.03444	0.7
107.01390	2.6
108.02152	1.3
109.02959	1.3
109.21288	0.6
111.04497	0.9
113.02492	1.4
119.03488	0.6
119.05000	2.5
121.02979	3.6
122.03706	2.1
123.00872	1.4
123.04517	0.6
125.02457	12.1
126.02769	0.8
127.04037	1.4
133.02933	1.2
134.03755	7.5
135.00890	2.0
135.04546	13.5
136.01637	1.7
136.04820	1.5
137.02486	3.4
138.03174	1.0
139.03943	0.9
149.02505	3.1
149.06116	1.5
150.03206	6.7
151.00375	3.2
155.03532	1.2
158.03690	2.2
159.04439	1.4
160.01675	0.9
161.02420	2.5
161.04510	0.7
162.03242	1.0
163.00375	6.2
163.03995	2.7
164.01151	4.0
165.01953	7.4
165.12833	0.9
165.59331	0.6
166.02612	1.0
167.03500	1.5
171.04449	0.7
172.05408	0.8
173.04524	2.3
173.05919	0.8
174.03256	4.1
175.03989	2.4
176.01143	1.1
176.04724	0.6
177.01903	2.3
178.02701	7.5
179.03496	3.6
180.03923	1.3
187.03912	1.2
189.99081	0.9
190.02692	0.7
191.05624	37.5
192.00638	1.3
192.05969	1.1
193.01436	9.6
193.04979	0.8
196.00095	1.1
199.03989	3.8
199.13235	0.7
200.04808	3.3
201.01987	3.7
202.02632	2.5
203.03386	1.2
205.01489	0.9
206.02203	6.1
207.02872	0.8
209.11845	42.2
210.01683	3.7
210.12224	1.5
211.03928	0.9
213.05534	2.3
214.02689	0.6
214.06352	2.2
215.03496	1.8
215.07127	4.8
217.05005	3.1
218.02185	0.7
218.05858	0.8
219.02992	0.7
227.03517	2.1
227.07117	1.0
227.12906	8.6
228.13268	0.6
229.04979	0.9
238.01173	3.0
238.06339	0.7
240.04152	0.9
241.05139	3.1
242.05792	3.5
243.02942	1.1
243.06645	7.8
253.09323	6.0
254.05927	1.0
255.02838	0.7
255.06654	2.3
256.07516	2.3
257.04587	1.6
257.08182	2.0
259.05923	0.9
263.12903	0.7
266.05878	1.0
271.03113	1.4
271.06131	17.9
272.06693	1.7
283.06100	1.1
284.06903	3.1
285.04034	1.0
286.04831	1.3
289.07135	0.8
299.05612	3.8
299.09232	1.5
299.40506	0.7
300.06348	2.9
301.03903	1.1
301.07123	5.9
310.04892	1.6
313.07312	2.0
315.08737	0.8
325.07254	1.5
328.05930	9.2
343.08246	100.0
344.08572	10.1
355.07996	0.9
373.09332	8.3
428.18582	0.8
463.12524	68.6
464.12772	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	463.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59802	0.4
57.03436	0.5
59.01386	3.9
61.98815	0.4
65.00326	1.3
68.99830	0.7
69.03459	0.8
71.01392	1.9
72.99301	0.4
73.02945	0.7
75.00864	0.4
79.01894	1.4
81.03464	2.3
81.45533	0.3
83.01401	2.8
85.02953	1.2
87.00871	0.4
89.02444	0.5
93.03470	2.3
95.01402	1.2
95.05014	0.3
96.96012	0.5
97.02957	3.2
99.04523	0.6
100.70161	0.3
101.02474	1.2
107.01398	1.7
108.02190	1.2
108.22535	0.3
109.02961	1.3
111.04501	0.5
111.18878	0.3
113.02476	0.7
119.03477	0.5
121.02966	3.3
122.03781	2.4
123.00900	1.5
123.04498	0.8
124.01658	0.4
125.02457	12.0
133.02974	1.2
134.03754	8.3
135.00920	1.9
135.04543	10.6
136.01642	1.8
136.04871	0.4
137.02457	3.2
138.03242	0.8
147.04549	0.5
148.01669	0.6
149.02454	3.5
149.06097	2.1
150.03238	7.1
151.00360	4.2
151.03761	0.4
153.37698	0.3
155.03522	1.1
158.03751	1.5
159.04507	0.4
160.01675	1.0
161.02448	2.2
161.04568	0.5
162.03236	0.5
163.00389	6.6
163.04010	0.4
164.01176	3.6
165.01947	5.1
166.02670	1.2
167.03532	2.2
173.02434	0.6
173.04536	1.2
173.05983	0.7
174.03258	3.6
175.00352	0.4
175.04016	2.1
176.01140	0.6
176.04733	1.3
177.01949	3.0
178.02753	7.0
179.03481	1.3
180.04205	0.6
182.02226	0.5
185.02452	0.5
185.06113	0.5
187.03981	0.6
187.07628	0.5
189.05673	0.4
189.99060	1.0
190.02676	0.5
191.03711	0.7
191.05606	6.4
191.07191	1.1
192.00661	1.3
193.01431	9.4
193.05101	0.7
194.01903	0.7
196.00209	1.0
199.04053	2.5
199.13370	1.1
200.04817	1.9
201.01920	3.3
201.05511	0.5
202.02740	2.5
203.03381	0.6
204.00676	0.4
204.04245	1.5
205.01404	0.9
206.02231	5.3
207.02876	0.7
209.11829	4.2
210.01726	3.5
213.05566	2.3
214.02649	0.5
214.06322	1.3
215.03526	1.8
215.07170	1.1
216.04163	0.9
217.05092	2.5
218.02194	0.5
219.02913	1.1
223.02368	0.4
225.05278	0.5
227.03465	1.2
227.07166	1.1
227.12894	5.4
228.07912	0.5
229.05086	0.6
233.08257	0.8
238.01178	2.3
238.06415	0.6
239.07207	0.5
240.04189	0.5
240.07878	0.7
241.05099	3.3
242.05899	2.2
243.03020	0.8
244.03668	0.5
253.05020	0.4
253.09232	0.8
254.05916	0.8
255.06709	2.9
256.07474	2.4
257.04672	1.6
257.08099	1.6
258.05301	0.8
258.07935	0.5
259.06192	0.9
260.07025	0.5
266.05902	0.5
267.06485	0.5
271.06168	1.1
271.09885	0.8
272.06860	0.6
272.10046	0.6
273.07431	0.5
273.10202	0.8
275.09286	0.6
275.97781	0.4
281.04602	0.7
281.08005	0.6
282.05380	0.9
283.06174	0.7
284.06866	3.0
285.04111	1.5
286.04718	1.5
287.05316	0.4
289.07208	0.5
298.05020	0.5
299.05591	2.6
299.09311	1.4
300.02850	0.9
300.06354	2.6
301.03668	0.8
301.07162	6.1
301.10565	0.7
302.07608	0.6
310.04861	1.2
313.07074	1.9
315.08673	1.0
325.07330	0.9
328.05893	7.8
329.06427	0.9
329.89084	0.4
340.05780	0.5
343.08240	100.0
344.08539	9.0
355.08258	1.0
358.06918	1.0
371.10443	0.8
373.09280	7.9
374.09836	0.8
463.12503	64.8
464.12790	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	463.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59066	0.4
59.01385	4.7
61.98825	1.6
65.00307	1.2
67.01881	0.8
69.03458	1.1
71.01369	2.9
79.01888	1.1
81.03449	2.3
83.01389	2.3
83.05014	1.7
85.02968	3.6
87.00868	1.2
89.02438	0.7
93.03474	3.2
95.01379	1.2
95.05044	0.5
97.02971	3.2
97.03494	0.6
98.20678	0.9
99.04515	0.8
101.02435	1.8
105.03468	0.7
107.01390	1.9
108.02171	1.2
109.02958	1.0
113.02425	1.1
119.04998	0.8
121.02981	3.5
122.03747	1.9
123.00889	1.6
123.04517	1.2
124.01694	0.7
125.02464	13.0
127.03943	1.4
134.03758	9.2
135.00919	1.6
135.04541	12.2
136.01628	2.3
136.04884	1.4
137.02495	3.5
149.02489	3.3
149.06064	2.2
150.03259	8.1
151.00441	3.7
151.04056	0.7
152.01112	0.6
153.01933	0.6
155.03548	1.4
158.03705	1.2
159.04445	0.7
160.01682	1.0
161.02435	1.5
161.04611	0.8
162.03241	1.1
163.00389	7.3
163.04037	1.8
163.11307	1.0
164.01248	3.5
164.02379	0.6
165.01956	6.1
165.12894	0.6
166.02763	0.7
167.03500	1.9
172.05357	0.5
173.02409	0.8
173.04520	1.9
173.06039	1.3
174.03232	4.1
175.03973	1.7
176.01163	0.7
176.04874	0.5
177.01959	3.4
178.02742	6.7
179.03421	2.1
180.04076	1.1
185.02420	0.6
187.04044	0.8
188.04433	0.6
189.99146	1.1
190.02684	0.7
191.03807	1.0
191.05635	26.2
191.07159	1.3
192.00673	1.7
192.05934	1.0
192.11455	0.5
193.01442	10.2
196.00255	0.7
198.03146	0.6
199.03998	3.6
200.01207	0.8
200.04800	3.0
201.02031	3.1
202.02702	1.9
203.03510	0.7
204.04315	1.6
205.01492	0.8
206.02206	5.9
207.02574	0.8
209.11852	27.9
210.01727	4.4
210.12186	1.1
211.03941	0.6
213.05562	2.0
214.02739	0.5
214.06360	1.7
215.03540	1.4
215.07169	3.1
216.04245	1.0
216.07410	0.6
217.05089	1.8
219.03050	0.7
223.02419	0.9
225.05623	0.7
227.03558	2.4
227.07153	1.2
227.12918	5.6
228.04485	0.6
237.05792	0.5
238.01190	2.6
239.07120	0.5
241.05072	3.6
242.05855	2.6
243.02960	0.7
243.06625	6.2
253.09344	3.6
254.05826	0.6
255.06676	2.5
256.03839	0.5
256.07385	1.8
257.04498	1.5
257.08148	1.3
259.06235	0.8
265.05139	0.7
266.05899	0.9
271.06125	14.8
272.06619	1.8
275.09195	0.6
281.04501	0.8
282.05331	0.9
283.06204	1.1
284.06946	2.7
285.04071	1.4
286.04828	2.2
289.07190	0.9
299.05661	3.1
299.09293	1.8
300.06439	3.1
301.03763	0.9
301.07156	5.8
310.04813	2.0
313.07281	2.0
314.07553	0.6
315.08734	1.1
325.07294	0.8
328.05908	8.3
329.06073	0.8
343.08246	100.0
344.08591	8.2
355.08218	0.8
364.28384	0.5
373.09320	7.6
374.09650	1.0
385.09119	0.8
398.57953	0.6
463.12515	64.7
464.12646	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	463.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91056	1.1
59.01373	5.8
65.72958	1.2
66.40346	1.2
68.01445	1.2
69.41397	4.2
69.41833	5.2
72.04509	1.3
78.95919	6.9
79.95744	1.3
88.56133	1.1
92.05065	32.8
96.96019	20.1
110.98533	4.7
114.09259	21.6
136.04057	50.4
137.04373	1.9
144.04552	1.8
161.07179	7.5
163.89893	1.4
167.01169	3.5
171.10286	1.9
174.99176	1.6
194.98842	2.2
195.13892	4.1
208.85167	1.2
209.11852	5.1
217.00336	8.1
218.15523	2.2
222.09256	33.2
223.09541	2.5
226.36111	1.4
253.13492	4.6
277.21768	3.5
295.22818	21.1
296.23047	2.5
297.12372	1.5
299.00629	1.3
334.15945	1.3
381.18216	100.0
382.18610	10.2
445.22113	1.8
463.11768	2.2
463.23706	18.4
464.24341	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66486	0.6
56.03605	0.6
57.03455	1.1
58.00604	1.1
59.01385	100.0
61.98835	1.1
63.97678	0.6
66.77074	0.6
69.28123	6.2
71.01385	18.6
72.99342	0.8
73.02953	0.6
82.65601	0.7
85.02977	3.0
87.00890	2.2
89.02451	26.9
93.03474	1.0
96.96030	2.5
101.02453	10.3
109.02996	0.7
113.02435	8.2
119.03515	11.8
121.02973	2.9
131.03568	1.4
141.00238	0.7
143.03516	2.8
149.04623	1.5
161.04634	2.1
165.09225	4.1
173.04559	1.0
179.05624	8.2
191.05594	4.9
205.12505	0.9
209.11806	1.0
220.03792	1.6
235.06207	1.1
262.42233	0.6
437.35773	0.7
463.12671	1.4
463.21799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52058	0.3
59.01104	0.5
59.01381	4.8
69.38303	2.2
71.01392	3.6
73.02958	0.4
80.02693	1.2
81.03477	1.3
83.01391	0.9
83.05031	4.7
84.02163	1.0
85.02949	0.7
87.00898	0.6
89.02459	2.5
93.03445	0.9
95.05079	0.4
101.02460	3.6
101.99461	0.2
111.08125	0.3
113.02463	1.5
119.03516	0.8
125.06057	0.6
134.03712	0.4
135.04530	0.3
135.08194	0.8
148.61734	0.3
161.04579	1.0
163.11288	3.6
165.12880	2.1
179.05638	0.4
181.12383	0.5
191.05681	1.4
191.10760	1.1
199.13431	0.6
209.11848	100.0
210.12177	5.5
227.12915	15.4
228.13150	1.5
235.08206	0.3
239.46413	0.3
239.48918	0.3
253.09314	13.6
254.09811	0.5
255.03021	0.4
271.06024	0.5
298.79453	0.3
301.03217	0.5
343.08142	1.2
368.37234	0.3
373.09430	0.3
463.21909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
65.54698	0.4
69.30177	1.1
69.30588	2.5
71.01382	3.1
73.02932	0.8
80.02701	1.0
81.03461	1.4
83.05044	3.9
83.63722	0.4
84.02189	0.7
85.02977	0.5
89.02463	2.7
101.02451	2.3
108.80256	0.5
113.02453	1.8
119.03534	0.9
125.06070	0.6
135.08220	0.6
161.04585	1.0
163.11296	3.8
165.12891	2.5
176.04048	0.7
187.77473	0.4
191.05632	1.5
191.10799	1.1
209.11839	100.0
210.12172	5.0
227.12901	15.3
228.13248	0.9
246.54024	0.4
253.09299	13.7
261.07101	0.5
271.06149	0.5
335.26559	0.5
437.84094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98223	0.3
52.35607	0.3
55.01874	0.5
59.01383	5.0
62.44456	0.3
62.47783	0.3
68.64244	0.3
69.03479	0.5
69.29012	2.9
71.01385	3.5
71.04354	0.3
72.32339	0.3
73.02962	0.7
80.02695	0.9
81.03465	1.1
83.01370	0.6
83.05029	4.3
84.02171	1.2
85.02965	1.6
87.00894	0.5
89.02477	2.7
93.03468	0.7
95.05042	0.5
99.04565	0.4
101.02448	2.7
109.06586	0.5
111.00890	0.5
113.02466	1.4
118.51848	0.3
119.03528	0.8
125.06112	0.5
126.84713	0.3
133.02957	0.4
135.08174	0.6
140.36580	0.3
145.13788	0.3
161.04590	1.1
163.11311	3.9
165.12901	2.1
173.04553	0.9
179.05646	0.5
181.12291	0.7
191.05647	4.9
191.10799	0.8
209.11836	100.0
210.12192	6.4
227.12892	16.7
228.13202	1.3
235.08229	0.8
253.09290	12.7
254.09610	0.5
261.23309	0.3
271.06107	1.0
301.03479	0.4
422.39282	0.3
431.19278	1.9
463.12119	0.4
463.25592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19020	0.4
55.01877	1.1
57.03458	1.8
58.00580	1.1
59.01387	21.8
63.94404	0.4
67.46693	0.4
70.28596	1.2
71.01391	11.9
71.05041	0.7
72.99327	1.0
73.02956	1.5
83.01402	1.3
83.05016	0.9
85.02970	4.6
85.06613	2.5
87.00887	1.4
89.02457	8.6
93.03436	0.4
95.01399	0.9
97.06592	0.7
98.20689	0.3
99.00864	0.5
101.02456	7.8
107.01360	0.4
109.06571	0.4
111.08121	0.4
113.02444	3.7
115.07668	9.2
119.03529	3.4
128.03581	0.9
134.03731	0.6
135.04520	0.9
139.11322	1.8
151.00365	0.6
161.02473	0.7
163.11293	0.4
165.12784	0.4
171.07753	0.4
173.04512	0.8
191.05649	3.9
193.15979	0.5
209.11885	8.0
210.12137	0.8
227.12949	2.3
237.18617	0.6
247.13853	0.5
255.02995	1.0
255.19675	1.2
256.03418	1.2
257.03677	1.1
271.05441	0.4
283.02454	0.7
283.19269	1.1
284.03006	0.8
285.03320	1.5
285.20816	0.9
286.03900	1.1
289.07199	0.6
297.04089	0.7
297.20679	0.7
298.04678	1.1
299.05151	2.1
300.05539	2.1
301.06601	3.1
301.20227	30.5
302.20599	2.2
343.21082	0.7
355.21048	0.4
417.43314	0.4
431.19394	2.5
462.21512	0.4
463.12067	4.6
463.25549	100.0
464.25864	12.4
464.31274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03442	1.5
58.00600	0.7
59.01384	22.2
61.98854	0.5
64.08822	0.5
69.08337	0.5
69.87037	2.5
71.01385	11.1
71.05029	1.7
72.99324	0.8
73.02951	1.7
83.01388	1.0
83.05043	0.7
85.02960	4.0
85.06568	0.5
87.00877	1.7
89.02451	9.6
93.03465	1.0
95.01394	1.3
99.00925	0.6
99.08162	2.6
101.02444	7.7
101.06062	0.8
111.08147	0.6
113.02468	3.4
115.07669	1.6
119.03505	3.0
125.09748	1.6
129.09216	7.2
135.04520	1.3
161.02448	1.4
161.04582	0.5
165.15857	0.5
173.04543	1.4
191.05612	8.9
209.11810	1.0
255.19543	0.7
271.06192	1.6
283.19159	1.0
285.20895	0.6
297.20981	1.0
301.07135	2.9
301.20203	28.6
302.20612	3.1
384.59891	0.6
463.25534	100.0
464.25827	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	464.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46814	0.9
59.01386	17.5
61.98836	100.0
63.66783	0.9
71.01386	1.9
74.76200	0.9
80.91708	2.4
94.13629	0.9
95.60291	1.1
101.02460	1.0
107.26050	0.9
113.02518	1.0
118.95000	0.9
191.05589	1.6
193.96974	1.0
315.18207	1.7
334.53143	1.0
409.54517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.3
59.01380	3.3
61.04068	0.2
62.96413	0.4
68.63334	0.2
71.01381	0.5
71.08917	0.3
77.81944	0.1
78.95909	19.7
104.97509	0.2
116.73245	0.2
125.85883	0.2
134.47556	0.1
134.98660	0.2
152.99585	2.4
168.04330	2.9
197.00484	0.4
219.17764	0.2
221.18971	1.1
224.06946	8.6
225.07202	0.3
235.78043	0.2
239.20168	100.0
240.20506	7.7
242.07997	2.3
464.27820	17.9
465.12363	0.3
465.28064	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	465.017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34418	0.4
53.83442	0.3
56.98027	0.6
57.03455	0.5
59.01377	4.2
61.98829	1.6
67.01884	0.5
68.06252	0.4
71.01377	1.5
71.26879	0.8
79.95741	0.9
83.01427	0.5
85.02959	9.5
87.00880	2.3
89.02474	1.6
93.03466	4.4
96.96011	2.9
99.04487	0.5
101.02464	0.7
105.03475	1.4
107.01370	0.8
109.02969	1.2
111.04508	1.3
113.02461	0.6
119.03513	0.5
121.38680	0.4
123.04568	0.5
125.02465	5.8
127.03996	2.2
132.02206	1.3
133.02969	10.2
134.03320	0.6
137.00702	0.8
149.00616	1.1
149.02480	0.9
151.00392	1.6
153.01929	1.6
160.01692	6.2
163.99365	1.0
165.00160	13.1
167.01707	0.9
169.68877	0.4
171.02971	0.7
173.03262	0.4
173.04523	2.5
175.00385	0.5
177.01947	0.9
178.99873	1.2
179.05544	0.4
181.01440	1.2
191.05630	100.0
192.05943	3.1
192.99663	61.4
194.00005	3.7
208.99164	15.7
209.01190	0.6
209.99532	1.0
217.05032	0.7
271.01279	0.4
275.05591	1.2
285.04013	3.2
303.05130	4.2
343.06631	0.7
383.04449	8.4
384.05078	0.6
404.91214	0.5
405.21405	1.6
405.26489	0.4
447.00562	0.6
447.08783	0.5
465.01712	23.1
466.02200	2.2
490.99005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72989	0.4
57.03457	0.6
59.01387	100.0
60.01724	0.9
61.98834	1.3
69.31212	3.3
71.01394	7.7
72.53320	0.4
83.01424	0.4
85.02972	1.8
87.00924	0.5
89.02457	11.1
91.34934	0.4
95.01376	0.5
98.20654	1.0
101.02449	4.9
106.76800	0.4
113.02459	2.7
119.03498	4.7
131.03542	1.0
137.40440	0.4
142.99643	0.5
143.03534	1.1
145.11134	0.4
146.91402	0.4
149.04546	0.4
161.04602	1.3
165.00224	1.0
167.10808	0.7
175.75201	0.3
179.05609	3.8
191.05644	3.3
192.99704	1.1
202.66797	0.4
208.99193	1.1
286.41107	0.5
405.21405	3.0
449.20313	0.5
465.01807	0.5
465.23135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89209	0.7
56.98026	0.7
57.03449	2.4
58.00606	1.0
59.01385	54.8
61.98830	5.3
65.47958	0.7
71.01389	18.7
72.99332	1.6
74.99109	1.0
78.95935	1.2
79.01881	0.7
79.02384	0.8
81.03489	0.8
83.01397	2.1
85.02962	12.1
87.00896	3.0
89.02452	22.3
93.03474	9.1
95.01426	1.0
96.96017	6.7
99.04521	1.3
101.02447	12.2
109.02953	1.8
111.04527	1.7
113.02479	8.0
114.02843	0.8
116.45243	0.7
116.92863	1.7
119.03512	9.5
121.03012	0.7
125.02468	13.6
127.04032	1.8
131.03481	1.1
132.02263	1.1
133.02980	8.5
134.07597	0.8
135.04535	1.2
136.99173	1.1
137.00760	0.9
137.02446	1.1
143.03543	2.7
149.02446	1.5
149.04608	1.2
149.09726	4.9
151.00378	3.3
153.01938	3.4
160.01697	5.5
161.04500	3.5
163.03967	1.0
163.11189	0.7
165.00179	13.4
167.01755	2.4
167.10768	8.3
169.98297	0.8
173.04515	5.8
174.03293	1.1
175.04044	1.0
177.01958	2.0
178.99881	3.2
179.05618	7.7
181.01598	1.2
191.05634	100.0
192.05980	4.2
192.99654	64.1
193.99962	2.9
208.99173	14.5
217.05179	0.8
217.25195	0.8
225.14986	3.0
229.08774	1.0
230.11897	0.7
241.05080	0.8
243.16072	2.2
245.09395	0.9
273.07739	3.0
275.05594	4.8
285.04016	7.4
303.05121	9.9
365.03128	1.3
383.04425	5.9
385.06104	1.6
397.97415	0.9
405.21353	30.5
406.21481	3.8
407.15509	0.8
447.00308	2.3
465.01617	24.3
466.01852	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	465.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.4
63.57854	11.9
69.35515	100.0
74.99424	13.6
82.09564	11.7
154.10544	13.9
154.25653	14.1
231.93147	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	466.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32428	1.3
56.36306	1.2
59.86124	1.3
61.98839	26.1
70.38660	1.1
71.53535	2.1
72.04556	1.2
73.42225	1.3
73.78181	1.2
92.05072	38.4
93.03510	2.6
93.05383	1.8
96.96024	1.6
103.50353	1.1
113.25221	1.2
114.08568	0.8
114.09260	24.5
132.08199	1.7
136.04057	52.9
137.04405	2.3
144.04550	2.6
147.04510	1.5
161.07210	6.2
173.04413	1.8
212.80946	1.2
216.13899	2.1
218.15565	1.4
222.07127	2.4
222.09247	36.9
223.09560	3.6
253.13522	3.7
268.95169	1.2
381.18222	100.0
382.18637	10.6
466.15643	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	467.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69031	0.5
52.58428	0.5
59.01375	2.3
61.98819	0.7
67.01881	0.9
69.03474	1.2
74.96564	0.6
83.01383	0.9
87.00888	1.3
88.76409	0.5
89.03960	1.1
93.03477	6.6
96.95994	0.6
99.02417	10.6
101.03979	24.2
101.04652	1.3
102.04317	1.0
103.05512	1.3
105.03455	0.8
111.04503	0.6
112.66602	0.6
113.02493	0.7
117.03476	10.0
119.05043	13.7
120.05415	0.6
121.02950	2.2
121.06606	2.1
122.79040	0.5
123.04534	1.1
131.01393	1.8
131.05042	14.3
131.06030	0.7
132.02187	3.7
132.05367	0.6
133.02968	4.4
134.03743	6.3
135.04468	0.8
136.01703	0.6
137.02499	1.1
140.07120	0.6
143.05019	0.6
145.02969	15.7
145.06580	1.0
146.03386	0.7
147.04428	0.7
149.02501	0.7
149.06104	2.3
152.99655	0.6
153.64024	0.5
155.03497	0.8
156.90224	0.6
159.00876	4.3
159.04407	0.8
160.01675	7.3
161.02455	3.3
163.04037	3.8
170.88362	1.0
173.02396	1.2
173.04524	4.3
175.03998	6.1
176.04309	0.8
177.01958	3.0
177.05557	4.4
178.02690	1.5
187.00385	2.6
189.01945	5.4
189.48254	0.6
191.03506	5.3
191.05595	2.1
193.05043	3.2
205.01410	1.0
214.89319	0.5
219.02983	7.5
219.06483	1.1
221.06181	0.7
233.06017	1.0
234.05241	0.7
234.10524	3.1
237.07761	0.8
246.06967	1.5
247.02486	9.6
247.07663	1.8
249.07713	0.9
261.06158	0.9
261.09195	15.7
262.09927	8.6
263.06049	1.3
263.10779	35.9
264.11078	3.0
277.05185	2.6
278.05804	1.7
291.06567	1.3
305.04514	2.8
306.05237	2.4
309.04034	1.7
309.07364	0.5
321.07639	0.9
323.05545	1.5
335.08322	0.6
350.04166	1.1
351.05042	2.4
351.08890	0.7
365.06711	10.9
366.07123	1.0
379.08130	3.0
380.08838	0.8
393.06042	0.7
395.11578	1.2
396.08536	5.2
424.07980	5.6
439.10352	100.0
440.10678	15.8
449.14548	2.5
467.09814	21.5
467.16876	8.7
468.10437	2.9
468.16571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03445	1.2
58.00600	1.2
59.01385	100.0
59.98515	0.8
60.01707	0.9
67.01897	1.0
69.03461	1.9
69.71397	4.2
71.01389	42.7
72.99320	2.0
73.02952	68.5
74.03278	1.4
75.00908	1.3
78.19310	0.7
83.01395	20.7
85.02950	5.6
87.00903	2.7
89.02456	7.5
93.03477	4.7
95.01412	1.1
96.96015	0.8
97.03001	0.9
99.00909	1.3
101.02451	56.7
102.02803	1.3
109.52268	0.7
111.04558	0.8
113.02461	17.6
119.03529	4.8
125.02470	2.8
128.03513	0.7
131.03535	4.7
131.07191	0.9
133.03011	1.4
135.04546	2.2
137.02466	1.4
143.03505	5.0
149.04564	5.5
155.03529	2.4
161.02498	2.6
161.04567	12.6
166.62343	0.8
173.04594	6.1
176.04050	2.8
179.03517	1.4
191.05611	4.8
203.05623	1.2
211.13429	0.8
221.06792	1.9
228.11957	0.7
248.08292	0.7
249.12846	1.3
264.11554	5.8
265.12506	1.9
280.59787	0.7
307.35016	0.7
330.65799	0.9
335.07776	1.0
387.68744	0.9
451.15219	1.3
469.18619	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	469.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54801	0.6
59.01389	8.5
69.34174	5.2
71.01381	1.2
74.54855	0.6
85.02953	1.1
90.73716	0.6
93.03442	0.8
98.20669	1.2
113.43073	0.6
119.47740	0.6
129.26184	0.7
135.04521	0.7
158.99983	0.7
160.01590	0.7
173.04652	0.9
179.03432	0.8
191.05637	3.8
208.38332	0.6
211.07603	0.8
221.09724	1.0
222.10442	1.1
222.27359	0.7
235.11342	2.6
236.12036	1.2
247.07651	1.2
248.08455	3.4
249.09207	5.7
250.09979	4.1
255.06747	0.6
263.10782	34.8
264.11514	11.1
265.12341	100.0
266.12665	9.0
281.75082	0.6
289.12222	0.7
341.13867	1.1
401.13385	0.6
409.16574	30.0
410.16827	3.7
435.63019	0.7
469.11383	1.9
469.18396	1.5
470.11874	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	469.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77510	0.1
54.20150	0.1
56.19302	0.1
58.25447	0.1
59.01392	1.2
65.78990	0.1
70.02248	0.2
70.02575	0.6
74.73192	0.1
85.02975	0.2
103.20581	0.1
105.16690	0.1
191.05635	0.4
207.08188	0.2
220.08795	0.2
221.09697	0.3
222.10478	0.3
235.07666	0.4
235.11263	1.4
236.11935	0.5
245.09590	0.2
247.07707	0.5
248.08455	2.2
249.09177	2.5
250.09932	2.1
251.10310	0.2
251.72569	0.2
261.09262	0.2
262.10126	0.3
263.10785	20.6
264.11432	4.8
265.12344	100.0
266.12683	8.8
278.09311	0.2
296.10294	0.2
307.13501	0.2
409.16650	0.6
469.18784	2.3
469.24832	0.2
470.12140	0.3
470.18799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84219	1.3
60.90533	1.3
61.98846	1.4
70.03079	6.6
73.04075	7.9
74.02461	2.8
76.63998	1.2
82.02992	53.1
83.03345	1.4
83.05011	1.3
84.04556	54.3
85.02952	1.6
85.04080	3.0
96.96013	5.8
97.04067	1.6
99.05653	2.0
109.04105	5.6
109.07738	14.2
110.02482	5.8
111.03279	2.2
112.07691	7.0
113.07222	2.6
124.07683	5.7
125.07251	1.9
127.05151	23.6
127.08783	1.8
128.03563	42.8
129.03969	1.4
134.49612	1.1
135.04567	6.3
138.09232	2.6
141.06706	13.4
151.08810	4.3
153.06752	1.3
153.10338	3.2
155.11911	11.2
179.03506	8.2
181.09846	56.5
191.05721	1.3
193.98831	1.3
195.07765	16.0
199.10910	24.6
239.04327	1.6
239.06674	2.0
248.14024	1.6
250.12163	1.3
266.15112	8.1
307.08249	3.8
310.14157	15.9
311.14597	1.8
337.22427	3.0
358.07870	1.5
363.20303	2.4
381.21463	100.0
382.21823	10.8
407.19235	2.0
425.20322	6.4
469.14542	1.6
469.19534	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2576
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
52.57374	0.4
58.25023	0.4
58.85667	0.4
62.12636	0.4
65.58333	0.4
69.16682	0.4
78.95915	17.6
81.82721	0.6
82.53004	0.4
96.96973	1.3
98.20719	1.3
108.48053	0.4
146.87405	0.4
152.99602	28.6
154.00012	0.7
171.00676	1.3
223.20540	0.4
227.03290	4.2
241.21754	100.0
242.22096	6.3
245.04359	1.1
255.23302	0.9
285.55606	0.4
358.15955	0.6
432.76474	0.5
444.32858	0.5
469.25757	51.6
470.26123	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	471.1146
Annotation	Clofazimine
Peak:m/z	Relative Intensity
57.03458	2.9
59.01382	0.8
70.66403	1.3
83.01382	0.5
93.03439	1.1
95.88960	0.4
97.02957	0.4
99.04534	0.7
109.02988	1.1
121.02082	0.5
121.02969	9.8
122.03329	0.5
123.00920	0.6
134.40894	0.4
135.04489	0.7
137.01659	0.4
137.02463	11.3
138.02811	0.5
149.02390	0.6
151.04033	0.6
164.01167	3.5
165.01945	100.0
166.02286	3.4
179.03505	1.8
189.01938	0.9
207.03046	4.3
327.07220	21.3
328.07602	1.8
355.93658	0.4
359.72443	0.5
369.08261	22.8
370.08640	1.7
409.11432	10.8
410.11871	1.2
411.09485	0.9
471.11469	21.1
472.11890	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.8
59.07471	0.5
61.98832	1.4
69.82060	3.2
71.01389	7.5
79.95742	0.6
83.01418	0.7
85.02956	1.0
93.03465	1.8
95.95222	0.5
96.96019	6.4
97.69643	0.6
98.20575	1.0
101.02447	0.6
109.02966	0.7
115.00382	6.7
121.02913	1.2
124.01693	0.9
128.03584	1.2
129.01884	0.6
133.02985	0.9
134.03752	35.6
135.04095	0.9
137.02454	7.6
139.04012	3.0
147.05994	0.6
149.06090	14.2
150.03140	1.0
159.04585	0.8
164.03549	0.8
167.03459	0.8
176.04065	1.3
178.02724	24.6
178.04308	1.2
179.03148	1.7
191.05620	3.7
193.05072	100.0
194.05414	4.8
204.04225	3.6
219.06668	2.5
229.31616	0.7
249.07693	4.6
355.10294	14.7
356.10880	0.8
471.09888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63622	0.4
50.91749	0.4
59.01377	2.0
61.98823	2.1
63.49369	0.4
71.01389	16.3
71.25546	0.5
71.54041	0.7
72.99309	1.6
82.02982	0.8
82.28083	0.4
84.04534	0.5
85.02952	1.0
87.00866	0.6
90.28691	0.5
93.03454	0.9
96.96011	4.6
101.01627	0.4
101.02438	1.0
112.04212	0.5
113.02496	0.5
115.00398	4.3
116.07222	2.3
117.02666	0.5
121.03001	0.7
123.04491	0.7
124.01661	0.6
127.05159	0.8
128.03563	3.4
134.03757	41.4
135.04111	1.5
137.02472	3.9
139.04012	1.6
149.04929	0.8
149.06093	14.6
150.03209	0.4
152.01222	0.5
167.03564	1.1
173.04657	0.7
176.04010	0.9
178.02722	16.2
179.03285	0.7
181.09857	0.5
183.11450	0.5
191.05597	2.6
193.05070	100.0
194.05392	4.1
197.99399	0.5
235.06065	0.5
310.14200	1.8
336.60043	0.5
339.48981	0.5
355.10342	3.0
407.72675	0.5
427.21826	2.4
471.09647	0.6
471.20694	1.2
472.10477	0.4
498.83078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	16.3
59.01381	22.7
61.98826	2.0
69.74467	9.0
71.01389	8.7
73.02944	3.2
74.02462	5.7
79.95742	7.0
80.96523	16.9
82.02977	6.3
84.04549	4.0
85.02954	6.0
86.02478	2.4
87.00879	2.0
93.03481	2.1
94.98071	4.0
96.96037	15.2
99.04536	12.3
101.02453	8.3
106.03205	1.8
113.02470	2.7
115.62316	2.0
119.68447	2.0
122.03753	4.1
122.14784	1.8
122.97580	3.8
123.04573	2.1
125.02419	10.8
127.04115	2.0
127.05124	2.3
128.02605	2.6
128.03558	43.8
129.03845	3.3
134.03764	8.9
135.04552	2.3
138.06915	2.6
149.06050	2.2
150.03235	48.7
152.08383	4.3
153.09250	17.3
153.10396	2.7
155.11865	6.6
160.01711	3.0
161.02426	2.5
161.04646	2.1
164.98613	5.4
165.01772	1.9
165.05582	61.4
166.05943	2.1
168.08757	2.1
171.10255	1.8
173.04575	2.2
173.06099	1.8
175.04010	6.2
181.09880	12.0
191.05609	5.3
193.04962	11.7
199.10893	100.0
200.11177	4.4
203.62872	2.0
205.12335	3.2
206.99551	1.8
209.11845	2.2
225.00758	4.2
243.09874	29.5
262.20935	1.8
350.96176	2.2
395.96164	2.1
411.12967	3.1
427.10242	2.5
471.09784	3.8
471.15613	40.1
472.15814	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	471.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88554	3.9
55.01890	6.2
57.03445	7.1
58.90335	3.7
59.01383	48.1
60.77911	3.5
61.98824	8.4
62.12630	3.4
69.24498	4.1
69.71104	21.8
71.01388	64.4
72.99320	7.4
73.02954	24.8
74.46060	3.9
80.96534	5.5
81.03443	4.6
82.95441	6.6
83.01386	12.3
85.02961	36.5
87.00880	9.1
89.02444	14.4
93.03455	8.1
96.96016	59.6
99.00907	5.8
99.04523	4.2
101.02451	57.2
109.02953	6.7
113.02454	28.4
119.03498	4.0
121.03048	4.0
125.02478	8.7
127.05152	4.2
128.03548	40.6
129.10371	4.2
130.06181	8.5
134.03781	6.6
135.04556	4.8
137.02449	7.9
143.03447	4.5
153.01996	3.8
154.09915	4.2
161.02521	4.5
161.04576	33.2
165.01886	9.9
176.03978	11.9
177.01917	6.3
191.05658	33.4
193.05078	21.5
208.06924	3.7
211.11984	4.4
222.43457	4.6
226.15659	18.4
249.13551	28.4
250.03809	7.1
250.54012	9.8
338.86670	3.7
341.18408	9.0
356.18558	4.3
411.18729	100.0
412.19083	10.6
451.79364	3.8
471.09027	7.8
471.15585	8.2
472.24042	33.6
493.23541	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	471.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05839	1.3
59.01390	6.1
59.69711	1.2
61.98832	1.8
66.91621	1.2
71.01394	7.7
71.53172	2.0
73.02961	1.6
73.04058	3.0
78.95947	1.5
79.95746	1.7
82.02990	19.2
82.95445	1.3
84.04559	19.2
85.02936	2.7
87.00856	1.7
93.03456	3.5
96.96021	17.5
101.02445	2.5
109.02980	2.6
109.04080	4.1
109.07716	6.3
110.02492	2.1
112.04041	1.4
112.07650	1.6
115.00347	2.4
116.07191	62.3
120.01242	3.2
121.02921	2.5
127.05161	14.9
128.03557	100.0
133.02928	1.7
134.03757	18.5
137.02458	2.2
141.06679	1.8
143.94026	1.3
149.06126	6.1
149.07159	1.2
151.00189	1.2
151.08771	3.2
155.11897	4.0
167.03479	2.4
173.04556	1.7
176.04034	6.2
178.02719	7.2
178.04082	1.3
179.03398	1.8
181.09843	11.7
183.11374	6.2
190.97693	1.1
191.05603	10.1
193.05063	40.0
195.07860	7.7
199.10887	10.3
209.09381	1.6
221.05101	1.3
227.10455	9.5
228.10760	1.3
239.06772	6.1
248.14171	1.3
266.14984	2.0
292.13040	2.9
310.14130	35.4
311.14536	1.7
354.12750	2.1
356.14658	5.1
365.21799	3.0
391.19403	1.9
409.20908	5.1
427.21994	51.0
428.22311	5.9
471.09824	3.0
471.21030	29.4
472.21185	3.0
475.49008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.9
59.01385	100.0
60.01714	1.0
62.03287	0.4
71.01382	2.1
73.02968	1.1
79.73769	0.4
79.94939	0.4
80.73484	0.4
85.02985	0.4
101.02472	1.0
108.83365	0.4
111.04559	0.4
113.02531	0.5
148.31613	0.4
153.86084	0.4
166.05159	0.5
191.05739	0.6
192.11618	0.6
203.05632	2.0
207.13948	5.4
229.47261	0.6
234.06932	0.5
248.08426	0.5
249.09267	1.8
370.22223	0.4
374.06360	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
59.01384	7.7
59.39217	0.7
59.66270	0.8
68.48218	0.9
69.49502	5.3
71.01395	2.6
72.00923	1.9
73.02963	0.9
74.02477	4.7
79.95766	1.5
80.96528	1.5
82.02995	7.0
84.04551	4.7
85.02967	2.6
86.02483	2.2
87.00900	1.3
89.02465	1.3
92.48965	0.8
93.03466	2.5
96.96017	12.4
98.20676	1.3
101.02453	1.3
109.02966	0.9
110.12410	0.8
112.07752	1.0
113.02441	1.2
115.91931	0.8
117.03442	1.3
120.04020	0.7
122.02502	1.0
124.07694	0.9
125.07159	1.1
127.05151	2.6
128.03552	49.5
129.03986	0.8
132.02194	1.7
133.02962	2.0
133.05095	1.0
134.03752	29.6
137.02449	2.5
149.06079	3.7
150.03275	1.2
153.01958	0.9
153.10385	0.7
155.11882	8.2
160.01689	6.3
161.02446	3.4
165.01970	0.8
165.05565	1.3
168.98955	0.7
173.04550	2.1
175.03958	8.6
175.44424	0.8
176.54237	1.0
178.02798	2.1
179.03452	1.9
181.09840	13.6
181.14766	0.8
189.05608	1.7
191.05641	4.4
192.05887	0.9
193.05060	36.1
194.05429	2.0
195.06606	1.0
199.10889	100.0
200.11285	4.2
209.11835	1.3
215.07173	1.0
225.08907	1.9
225.11382	1.1
237.02724	0.7
243.09866	30.5
244.10159	1.4
255.95110	0.8
275.02328	1.7
411.13083	2.8
427.10312	1.2
429.13913	0.8
437.22064	0.8
470.86993	0.9
471.09293	4.8
471.15466	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	471.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01385	20.8
59.13446	0.7
62.11561	0.6
69.03466	0.7
70.54931	1.6
70.55257	0.7
71.01391	13.4
73.02954	2.5
75.23501	0.6
79.22096	0.6
83.01405	1.3
83.05032	0.7
85.02949	3.8
87.00885	3.0
89.02458	6.4
93.03483	1.1
95.01407	1.9
97.02895	0.8
97.06596	0.9
101.02449	7.9
107.08684	1.5
113.02452	3.6
119.03524	2.2
125.09753	3.2
129.00165	4.0
137.09735	1.0
139.11305	1.8
141.09172	1.0
145.02974	1.0
151.07599	0.7
171.10280	3.0
173.04637	0.7
179.14423	2.3
191.03914	0.7
191.05643	2.7
195.63898	0.6
199.08066	0.6
199.09804	2.6
199.13390	0.7
200.10512	1.9
201.11316	2.8
211.13422	1.3
213.11377	1.1
247.20700	1.7
263.20105	0.8
280.16681	0.7
291.16641	1.2
291.19702	11.0
292.20139	1.0
309.20721	19.6
310.21082	1.4
311.22174	0.8
379.56345	0.6
429.24908	1.0
471.11746	2.5
471.26028	100.0
472.26410	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	471.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.7
65.15047	1.8
69.92712	10.1
78.07555	1.9
96.45883	2.0
98.19989	3.2
109.06596	12.2
219.35672	2.2
277.21750	100.0
277.58649	2.0
278.22119	9.9
355.30090	5.5
383.33411	2.9
406.05310	2.9
427.32224	8.7
428.32471	2.3
471.31281	8.2
471.36371	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3119
Annotation	Comnostin D
Peak:m/z	Relative Intensity
59.01386	4.7
69.03471	8.8
70.11597	1.2
70.11954	3.0
81.03458	1.2
89.67278	0.8
93.27835	0.8
98.19880	1.0
107.05011	5.5
109.06603	74.8
109.95849	0.9
110.06918	2.5
114.46184	0.8
134.50510	0.8
149.46661	1.0
160.86945	0.8
161.97183	0.9
175.46777	0.9
201.12805	0.9
260.13156	0.9
298.58374	0.8
315.26971	2.8
353.28491	2.5
355.30042	34.0
356.30457	4.5
357.27872	1.6
371.40091	0.8
381.31699	1.7
383.33264	13.7
384.33432	2.6
409.31241	12.2
410.31818	1.0
427.26166	1.3
427.32196	57.9
428.32526	7.8
471.31110	100.0
472.31467	12.9
486.41669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30871	1.1
59.01387	6.0
69.54520	7.0
70.04033	1.2
82.01964	1.4
98.20256	4.8
172.18604	1.4
257.15039	1.2
307.94861	1.2
333.31763	1.5
335.33224	97.4
336.33569	10.2
353.34290	2.3
379.28409	0.9
379.32175	43.8
380.32703	6.2
397.33243	100.0
398.33609	12.1
471.36938	61.1
472.37265	7.8
485.84796	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	472.159
Annotation	Raloxifene
Peak:m/z	Relative Intensity
51.45250	2.2
59.01365	6.2
67.03023	6.2
69.96635	11.0
71.01360	2.2
73.60718	2.3
85.02959	3.7
87.00887	2.2
92.05067	17.7
94.04142	2.5
96.96010	13.7
98.20699	2.6
102.05619	9.9
106.04131	5.8
108.02159	2.7
109.04079	3.7
111.03152	2.7
120.04566	3.4
126.06767	7.5
128.03555	47.0
135.04448	2.5
135.05667	6.9
136.04066	10.6
146.04581	8.9
146.16188	2.2
147.05695	4.9
148.04041	15.3
149.04613	2.6
152.01242	3.0
163.06262	12.7
167.03477	6.2
177.10359	9.1
189.10336	7.1
221.04544	3.2
221.09286	11.7
233.09349	22.0
275.11453	7.6
284.49396	2.2
300.11044	51.8
301.11249	3.5
343.11676	9.6
360.16837	5.8
385.16165	17.3
404.15771	60.3
405.16147	6.8
411.14117	5.9
429.15195	18.9
454.14755	7.5
472.15887	100.0
473.15994	7.5
480.16525	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	472.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.2
59.01384	44.7
69.65229	5.8
70.57281	1.0
71.01011	2.3
71.01388	31.8
72.99306	1.7
85.02959	4.9
87.00903	1.5
88.04023	2.8
88.79043	1.1
89.02453	46.8
93.03471	2.0
95.01403	1.6
101.02452	16.1
113.02460	14.4
119.03503	16.4
128.03630	1.4
130.05106	7.1
130.08751	47.2
131.03497	2.1
131.09145	1.3
137.02443	2.7
143.03477	4.4
146.11172	1.2
146.75842	1.1
149.04570	1.9
161.04590	4.6
179.05618	26.6
341.10901	100.0
342.11127	4.7
437.80374	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	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.5
60.99314	17.2
69.48795	5.0
72.87003	0.6
83.92789	0.7
88.98816	100.0
89.99144	1.6
93.03434	0.8
95.09068	0.7
124.40916	0.7
150.91638	0.7
180.91188	0.7
191.05627	1.3
193.92146	0.8
253.69733	0.7
261.93027	0.8
344.83121	0.8
411.98239	0.9
473.28946	1.0
485.63013	0.9
486.88742	0.9
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
59.01386	12.2
60.07467	0.4
60.54979	0.3
63.02414	1.1
65.00330	0.8
71.01389	1.6
71.53786	0.3
71.54121	0.4
73.02937	0.8
79.77467	0.3
81.03484	0.3
83.01400	1.1
85.02961	0.8
87.00881	0.5
89.02448	0.6
91.01942	0.3
93.03461	1.9
94.03832	0.3
96.95992	0.6
97.78193	0.3
101.02466	0.8
107.01403	2.7
113.02448	0.7
117.03462	2.5
119.03502	0.4
121.02974	0.7
128.03549	0.6
133.02954	0.4
135.04562	0.9
137.02405	0.7
148.01688	0.5
149.02469	2.1
149.99602	1.0
151.00368	4.7
152.01147	0.4
159.04494	0.4
161.02400	0.6
164.75407	0.3
171.04541	0.8
171.10278	0.6
172.05351	1.1
173.04529	1.9
177.05612	0.7
183.04581	0.4
184.05362	0.6
191.05652	5.0
195.04515	0.5
196.05219	0.6
198.03217	0.4
199.04005	0.6
200.04852	0.7
201.05542	0.4
211.04041	2.0
212.04791	0.9
223.11226	0.7
224.04684	0.5
225.05615	0.4
227.03621	0.4
237.09254	0.5
239.03552	4.2
240.04263	4.7
241.04770	0.4
249.09357	0.5
249.36797	0.4
266.09357	0.4
267.03036	2.2
267.10336	3.6
268.03778	100.0
269.04489	32.3
269.07635	0.5
270.04910	1.6
281.04517	0.5
289.83252	0.4
293.07956	0.5
311.05399	0.6
311.09317	1.3
413.08890	1.3
473.10886	81.8
474.11185	9.7
474.17975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48992	0.8
57.03452	16.8
57.53137	0.6
59.01378	2.7
59.70223	0.6
61.98830	2.0
70.66502	1.7
71.01385	1.5
79.95727	0.9
91.59658	0.7
96.96021	6.2
99.04524	9.6
101.02440	4.4
108.02180	21.9
109.02418	0.6
115.04050	1.6
123.00915	1.1
123.04544	12.0
125.02458	8.3
128.03546	1.2
152.01164	41.8
167.03506	100.0
168.03827	4.0
173.04532	0.9
177.01869	0.7
182.02310	1.2
191.05682	3.3
197.04630	2.2
209.04485	0.7
220.15369	0.6
267.10516	0.8
273.49231	0.6
305.08737	0.9
311.07727	0.7
329.08810	7.1
371.09845	3.3
411.12741	0.8
473.12857	1.4
473.19308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98840	3.3
69.03462	3.3
71.01387	28.6
73.02952	28.3
74.62358	2.3
80.75046	2.4
83.01411	9.0
85.02970	11.4
89.02473	7.5
93.03478	6.5
95.01438	3.8
96.96014	4.2
99.00945	2.8
101.02451	28.2
101.52406	2.5
113.02448	13.3
119.03529	4.7
130.90053	2.4
131.03514	3.1
135.04527	6.8
137.02451	6.1
161.02451	6.3
161.04561	6.2
167.07143	3.7
173.04562	12.0
177.01965	7.0
191.05638	18.4
205.38998	2.8
223.04176	3.1
239.10463	3.1
267.10220	3.4
345.22992	3.6
435.31870	3.1
473.20386	3.4
474.27139	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	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.77644	3.2
71.01385	9.0
73.02946	8.4
85.02941	5.7
89.02435	5.5
93.03462	7.1
98.19899	13.6
101.02456	11.0
104.97316	4.7
113.02450	7.6
119.03499	5.1
120.49487	4.0
128.03537	3.7
137.02429	4.9
138.02667	3.6
161.02467	16.9
161.04555	5.1
162.90871	3.6
167.03476	6.8
173.04527	12.1
189.12816	6.9
191.05634	14.0
193.05028	4.3
203.05536	5.3
269.60922	3.7
297.53503	3.3
311.07855	5.4
474.27048	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	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41927	3.4
57.52102	3.5
59.01389	100.0
60.24839	3.3
69.45232	26.6
71.01385	6.7
73.02929	5.4
85.02978	4.6
89.02436	5.9
93.03471	6.8
101.02475	7.8
102.05576	4.4
111.04580	3.7
111.05372	3.2
118.38520	3.3
123.08187	4.2
128.03543	13.7
137.02463	6.7
161.02386	8.6
161.04567	3.8
173.04564	9.8
189.12822	4.0
191.05540	9.9
207.13864	10.5
245.11386	5.4
281.06595	4.5
492.35593	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87904	5.0
53.05143	5.4
59.01115	7.1
59.01384	100.0
69.42113	5.0
69.95456	11.8
69.95885	16.3
71.01385	32.9
73.02961	46.0
73.94186	5.7
83.01391	12.0
85.02948	6.6
89.02438	13.8
93.03447	6.0
96.96011	23.8
101.02452	45.4
113.02444	19.5
113.16743	5.4
119.54410	5.6
132.51712	5.6
135.04514	12.0
137.02432	9.1
149.04527	9.4
154.71637	7.1
161.02415	7.6
161.04546	11.4
167.03545	6.6
173.04530	12.0
191.05681	34.4
250.90770	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	473.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49000	0.8
57.14677	0.8
59.01384	100.0
69.77727	4.1
73.35703	0.9
162.84030	0.8
229.22853	0.7
238.29634	0.8
299.97623	0.9
334.42719	0.8
400.73807	0.8
473.25662	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	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69369	0.4
57.12280	0.3
59.01386	100.0
60.01726	1.0
69.55671	1.5
69.56078	0.7
71.01383	0.7
73.02954	0.8
85.02975	0.6
91.03683	0.3
93.03481	0.5
101.02502	0.7
109.02982	0.4
111.43650	0.3
113.02425	0.4
137.02484	0.4
161.02632	0.3
173.04698	0.6
191.05699	1.3
229.38667	0.3
371.21216	0.5
413.21994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	1.1
69.39133	2.4
69.39569	1.6
71.01405	0.5
73.02975	0.7
74.73172	0.5
101.02438	1.0
112.29272	0.5
134.61194	0.6
138.04965	0.5
191.05743	0.7
275.18918	0.5
343.99164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01716	0.9
60.99301	1.3
61.98823	0.5
62.84708	0.5
69.69465	2.7
70.68428	0.4
71.01413	1.2
78.47800	0.5
85.02974	0.7
87.01572	0.6
88.98815	7.3
93.03469	0.5
96.19984	0.5
96.96014	0.6
100.40615	0.4
113.02531	0.5
117.03486	0.4
119.04977	0.5
121.02927	0.6
123.19518	0.5
137.02492	0.7
142.56993	0.5
147.15636	0.5
148.91025	1.0
152.95348	0.6
173.04625	1.8
173.09724	1.5
180.93626	1.4
185.09668	3.5
191.05676	2.3
201.09308	1.7
254.26115	0.5
267.10489	0.6
269.15515	16.3
270.15857	1.9
326.97281	0.7
473.28278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01726	0.9
60.20407	0.3
141.22650	0.4
141.23750	0.4
162.42444	0.4
191.05659	1.2
268.03741	2.7
269.04562	0.7
473.11044	1.8
477.05310	0.5
483.90384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01384	100.0
60.01707	0.5
61.98853	0.7
71.01379	1.1
71.54460	0.7
73.02978	0.5
76.88297	0.4
85.02988	0.5
88.36172	0.4
88.98836	2.1
93.03505	1.4
101.02451	0.8
101.94072	0.6
103.62759	0.5
111.04543	0.7
113.02441	0.6
135.04559	1.1
137.02473	0.9
161.02463	0.7
173.04631	2.5
179.03636	1.2
180.93611	0.5
184.70355	0.5
191.05568	2.6
211.13449	0.6
267.60016	0.6
281.06857	0.7
329.23532	1.7
335.07974	0.8
382.43387	0.5
429.14874	0.5
473.27155	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	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01716	0.9
60.99301	1.3
61.98823	0.5
62.84708	0.5
69.69465	2.7
70.68428	0.4
71.01413	1.2
78.47800	0.5
85.02974	0.7
87.01572	0.6
88.98815	7.3
93.03469	0.5
96.19984	0.5
96.96014	0.6
100.40615	0.4
113.02531	0.5
117.03486	0.4
119.04977	0.5
121.02927	0.6
123.19518	0.5
137.02492	0.7
142.56993	0.5
147.15636	0.5
148.91025	1.0
152.95348	0.6
173.04625	1.8
173.09724	1.5
180.93626	1.4
185.09668	3.5
191.05676	2.3
201.09308	1.7
254.26115	0.5
267.10489	0.6
269.15515	16.3
270.15857	1.9
326.97281	0.7
473.28278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01743	1.0
61.97396	0.7
69.55844	3.8
69.56194	0.6
70.34748	0.5
71.01390	0.8
89.02460	0.7
98.19983	1.2
101.02500	0.9
126.50372	0.6
151.07198	0.6
191.05701	0.9
268.03894	1.1
359.70374	0.7
473.11099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67102	0.6
54.33002	0.5
59.01367	2.7
69.96571	2.5
98.20956	0.5
106.56356	0.5
121.06605	14.4
124.77412	0.6
133.06595	2.3
149.09732	100.0
150.10065	3.5
163.11304	4.8
165.80182	0.7
205.16100	2.2
259.37061	0.6
266.13116	0.7
297.18613	9.2
298.19064	1.4
304.37625	0.6
311.20193	27.9
312.20560	2.3
323.20172	22.4
324.20453	1.9
325.41971	0.6
336.85379	0.6
384.34970	0.6
457.25119	0.8
473.30701	95.1
474.31012	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	473.312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43705	2.4
59.01385	15.3
60.20274	2.4
69.56243	6.0
69.56649	9.3
71.40899	2.8
109.90269	2.5
112.75527	2.5
128.38356	2.6
131.60152	2.9
255.23331	3.2
279.23318	100.0
280.23740	9.0
301.28287	2.9
384.29187	2.6
411.32645	10.0
429.33798	20.4
473.32913	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	473.3275
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
56.56873	0.4
57.03453	0.5
59.01377	1.8
69.03466	6.9
69.42059	0.4
71.05015	0.7
80.02676	1.1
83.05056	0.5
90.28450	0.4
98.20657	1.0
107.05039	4.5
107.49042	0.5
109.06599	73.5
110.06936	2.5
124.90619	0.4
135.95107	0.5
153.49529	0.5
175.04071	0.4
211.63828	0.4
228.11604	0.4
271.44760	0.5
317.28452	3.1
327.31033	0.5
339.30594	1.4
341.28506	1.4
346.09756	0.4
355.30051	3.1
357.31635	40.0
358.31958	3.8
359.29541	0.9
369.31668	0.8
383.33255	1.3
385.34766	15.2
386.35129	1.9
393.31775	0.7
395.29587	0.5
411.32666	11.8
412.33011	1.8
429.33734	57.3
430.34076	7.8
473.32751	100.0
474.33096	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	474.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.3
59.01385	3.5
61.98838	1.1
70.58958	0.8
70.99615	7.6
71.01389	2.9
71.53528	1.1
73.02953	0.8
74.99117	1.0
75.00856	1.2
80.96521	0.9
85.02979	1.5
96.96031	7.6
99.04539	2.0
101.02457	1.6
108.02205	2.6
113.02458	1.2
120.01270	19.1
123.00874	6.9
123.04576	1.3
125.02482	1.4
135.04561	1.0
138.03242	33.8
139.00392	1.2
150.68585	0.8
151.00378	1.0
152.01175	3.5
153.01675	1.8
153.05586	77.6
154.02708	1.3
154.05927	2.6
161.02457	13.2
161.04555	1.3
167.03496	8.7
168.03873	4.9
169.05048	2.2
175.04018	1.0
176.04805	25.2
177.05241	1.9
191.05615	7.0
191.07144	32.5
192.05939	2.3
192.07497	1.8
194.00403	6.5
195.01186	3.2
208.02017	1.0
209.02808	8.4
210.03586	3.5
212.01524	1.1
219.09021	1.0
222.84792	0.8
223.04391	2.8
224.05110	1.2
225.05919	100.0
226.06206	5.6
234.11342	11.8
240.00240	0.9
261.42145	0.8
271.27405	1.0
312.08908	4.1
341.11188	0.9
387.11200	19.8
388.11493	2.6
455.18338	1.1
474.14288	4.6
475.15555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
63.64797	0.2
70.03432	0.9
71.01379	0.4
78.95916	7.1
122.00162	0.3
127.07615	0.2
140.01205	2.8
152.99632	0.8
162.84033	0.3
189.29350	0.2
189.48622	0.2
196.03757	1.1
198.67807	0.2
214.04878	3.7
233.22781	0.3
259.20721	0.5
275.20169	0.3
277.21747	100.0
278.22083	8.1
380.43845	0.2
457.25851	0.5
468.23697	0.2
469.34720	0.2
474.26273	7.9
475.26477	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	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
67.58966	0.6
70.09460	2.4
78.95914	41.3
93.82590	0.6
96.96970	1.0
117.01086	0.6
122.00168	0.8
140.01222	6.6
142.86049	0.6
152.99582	4.1
163.21892	0.5
171.00665	2.2
196.03813	10.5
214.04871	2.8
275.20276	0.8
277.21756	100.0
278.22086	9.0
325.18124	0.6
396.51151	0.6
474.26318	36.6
475.26819	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	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55350	0.4
59.01374	0.9
71.01300	0.7
78.95912	100.0
96.96975	8.1
140.01202	0.5
152.99597	15.9
162.84038	0.4
171.00661	17.2
214.05006	0.4
277.21747	3.8
400.22342	1.6
474.26291	58.4
475.26578	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	475.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03447	1.2
59.01388	6.8
63.75109	0.4
66.28709	0.6
68.99821	1.0
69.51241	3.2
71.01386	7.3
73.02959	1.8
82.17068	0.4
83.01402	1.8
85.02971	3.0
87.00899	0.7
89.02454	0.7
93.03467	41.2
94.03798	0.6
95.01396	1.7
96.99326	1.1
97.02933	0.9
98.19909	1.0
99.00871	0.6
101.02460	5.9
106.04299	0.5
107.05049	0.7
108.02178	1.7
111.00844	0.8
113.02448	3.9
119.05034	3.2
121.02965	3.4
125.02469	0.6
128.03503	0.5
132.08478	0.5
133.02960	2.1
134.03758	63.9
135.04173	1.8
136.01700	3.2
137.02460	68.9
138.02809	2.7
139.04001	3.2
147.04526	1.1
149.02383	0.6
149.06090	23.6
150.03252	1.2
150.06421	0.6
151.03993	1.2
153.00703	0.5
161.04514	0.8
163.03992	2.6
167.03448	0.8
168.03104	0.5
173.04625	1.0
175.03877	0.5
178.02730	45.9
179.03307	3.7
191.03531	1.7
191.05612	2.7
191.07202	0.5
193.05066	100.0
194.05412	5.2
221.04459	1.1
239.05569	0.9
281.06689	45.4
282.07068	2.2
284.03259	1.2
313.03568	1.3
430.48138	0.6
431.13583	1.9
475.12540	85.0
476.12863	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	475.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78534	0.9
55.01873	1.1
57.03449	1.5
59.01384	25.8
64.82050	0.7
70.18081	1.9
71.01392	9.6
72.99313	1.2
73.02940	2.6
75.38731	0.8
81.03452	1.0
83.01384	2.7
85.02960	4.5
87.00889	1.0
89.02454	1.4
93.03464	29.0
94.03769	1.4
95.01390	1.3
97.02949	1.2
101.02450	9.3
108.02172	1.4
113.02449	4.8
119.03516	0.9
119.05009	2.6
121.02940	3.3
125.02449	0.8
133.02982	3.6
134.03751	100.0
135.04092	2.2
136.01637	2.5
137.02452	65.5
138.02800	2.1
139.04028	4.7
143.03540	1.2
149.06084	31.4
149.07271	1.7
150.03255	1.8
150.06378	1.3
151.03967	1.0
161.04604	1.1
163.04002	1.3
167.05011	0.8
173.04579	1.2
176.04108	1.2
178.02716	53.8
179.03349	3.7
179.05615	1.0
191.03694	1.5
191.05635	4.3
193.05061	94.4
194.05449	3.7
197.04579	1.3
281.06683	78.5
282.07089	3.9
313.03519	1.9
313.07291	1.2
357.13480	1.5
369.12994	1.2
431.13470	5.9
475.12512	83.7
476.12759	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	475.125
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.49439	0.5
53.79887	0.6
59.01381	0.7
69.18881	6.1
78.15768	0.6
93.65025	0.7
98.19921	1.0
101.02465	0.7
129.38547	0.6
132.02194	8.8
132.69948	0.6
133.03040	1.0
135.00883	0.8
138.03235	1.4
147.04509	2.8
153.05635	3.0
161.02448	1.0
163.04089	0.6
165.02000	1.5
173.31653	0.6
174.49057	0.6
176.04797	2.1
182.03802	0.9
186.72009	0.6
191.07205	1.5
198.03218	0.8
209.02693	0.7
225.05884	6.3
226.02736	14.6
226.06142	0.8
227.03362	1.2
240.04268	0.9
241.05122	2.5
253.01370	0.7
253.05081	1.1
254.02200	7.4
255.02902	4.9
256.03741	1.0
268.03729	3.7
269.04578	77.0
270.05014	7.6
281.04587	1.4
283.02521	2.5
283.06097	4.1
284.03326	1.0
284.06619	1.1
296.03201	1.8
297.04077	44.8
298.04807	36.0
299.05347	5.4
311.05606	12.8
312.02902	0.5
312.06409	9.0
313.07199	100.0
314.07562	8.0
314.92062	0.6
327.05167	6.9
341.06589	1.0
387.11176	1.0
460.10172	6.4
475.12497	65.3
476.12869	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	475.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79249	0.8
59.01379	2.5
64.94188	0.6
69.45351	3.1
69.45777	2.0
70.28862	0.8
70.99610	5.2
71.01392	2.1
74.99123	1.1
85.02971	1.0
87.00890	1.7
98.19850	1.3
101.02460	1.0
103.32401	0.6
103.33173	0.7
107.44318	0.8
108.57143	0.9
118.82115	0.7
120.99669	19.7
123.00891	9.6
138.03244	42.9
153.05592	100.0
154.05992	4.9
161.02484	10.4
161.04565	1.3
173.04533	0.9
176.04808	17.6
177.05476	2.4
191.07146	26.9
192.07487	1.7
193.03163	0.9
194.00456	2.8
195.01218	1.8
209.02779	6.5
210.03598	4.8
217.21754	0.8
223.04388	2.4
224.05215	1.8
225.05927	94.3
226.06207	6.0
313.07498	13.1
387.11206	18.5
387.16211	1.1
388.11652	2.0
475.12775	19.1
476.13297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49756	47.4
71.01381	17.1
72.99316	6.2
78.25343	7.1
79.77407	5.7
115.00371	38.5
127.19190	6.4
133.01451	100.0
140.93613	7.2
153.48051	6.5
219.50133	5.8
241.10823	6.4
249.99133	6.5
263.41779	6.6
285.35126	6.4
298.16867	6.5
324.27570	8.8
388.49063	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	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79411	1.4
57.03455	83.1
57.74074	1.6
59.01368	4.2
63.07225	1.3
71.01398	3.8
71.26483	1.3
71.26816	2.4
81.03401	1.8
83.01368	1.5
84.07944	1.3
84.43559	1.6
84.96130	1.3
85.02938	3.4
93.13162	1.2
96.96000	3.4
99.04524	22.5
101.02448	17.4
110.00076	3.9
111.00877	7.3
113.02455	2.4
125.02447	18.0
137.99614	3.6
138.99333	3.2
139.00383	59.1
152.01158	3.2
153.01945	67.1
154.02745	58.4
155.03372	3.0
161.04497	4.1
167.03535	9.8
168.04286	33.6
169.05080	100.0
170.05394	2.6
312.69153	1.4
313.09305	2.7
331.10342	31.3
332.10883	2.0
373.11313	18.8
413.14481	3.8
475.14380	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	475.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
58.00618	0.9
59.01390	27.9
62.05910	0.8
69.54499	3.4
69.54909	1.4
71.01005	1.3
71.01387	11.6
72.99330	1.0
85.02951	3.6
87.00916	0.8
89.02448	8.5
91.65615	0.6
93.03493	2.0
94.39967	0.7
95.01411	2.0
96.96039	1.2
98.19941	1.2
98.30480	0.7
99.00898	0.7
101.02460	6.8
104.05097	2.2
106.06676	2.8
113.02473	3.6
119.03537	1.7
132.02214	2.5
134.03783	2.9
134.06142	25.4
135.06567	0.8
137.02509	2.7
138.03162	0.7
148.04068	30.7
149.04465	1.9
149.06186	1.3
152.07245	1.4
160.04063	10.2
160.22346	0.7
161.02318	0.7
161.04666	1.2
167.03522	0.8
174.05600	6.1
178.02817	2.2
178.76414	0.7
191.05766	1.7
193.05154	4.4
225.05988	0.9
226.00841	0.7
226.02783	4.4
241.05270	1.0
254.02306	1.8
255.03198	2.0
265.06061	0.9
267.11368	8.1
267.13583	0.6
268.03909	1.1
269.04568	21.3
270.05032	1.8
281.06854	2.1
283.06305	1.8
295.10907	42.7
296.03223	0.8
296.11295	3.0
297.04077	13.2
298.04825	11.4
299.05511	1.9
311.05771	3.9
312.06458	3.2
313.07220	31.1
314.07791	2.6
320.22000	0.8
327.05234	2.5
447.18097	3.0
460.10526	2.2
475.12659	9.1
475.17581	100.0
476.12225	1.5
476.17819	11.2
476.23370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.34258	9.0
67.14330	7.2
71.01373	9.2
71.54720	11.5
78.95903	13.3
79.06066	7.1
107.95530	8.7
125.83416	7.4
140.59987	7.5
277.21741	47.5
279.23282	18.3
399.87918	9.6
476.27783	8.9
480.08475	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	476.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.08078	0.3
69.74403	0.6
69.74814	1.2
129.95432	0.5
133.03012	0.5
163.04085	0.4
199.77144	0.4
211.23317	0.4
242.93080	0.4
284.03415	0.6
285.03986	2.1
367.28104	0.4
412.30219	0.4
413.12509	1.4
420.95688	0.4
433.09192	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	476.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83126	0.6
51.83470	0.7
59.01385	6.6
61.98838	100.0
69.59725	2.0
69.60160	2.6
71.01392	1.3
85.02981	0.9
89.02495	0.9
93.03453	1.8
94.56956	0.6
96.96016	0.7
99.38213	0.7
103.91833	0.8
119.55008	0.7
133.03020	1.0
135.04546	0.8
137.02457	1.0
151.00444	0.9
161.02483	0.8
173.04573	3.3
176.04099	0.9
179.03532	1.2
191.05673	2.8
204.27863	0.7
209.11913	1.6
223.75616	0.7
255.03137	1.1
256.03763	0.9
283.02637	1.5
284.03342	3.5
285.04221	3.2
335.07855	1.5
395.17136	1.6
433.09396	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	476.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
69.09755	0.4
69.50665	2.3
69.51073	0.9
78.95912	100.0
83.34341	0.4
96.96973	8.9
140.01190	0.7
152.99600	18.6
171.00658	19.0
214.04832	0.4
224.66745	0.6
248.26378	0.4
279.23337	1.0
279.97354	0.4
371.94489	0.4
402.24243	1.4
427.17584	0.5
465.10101	0.5
476.27850	57.0
477.28180	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	476.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26279	0.1
52.95106	0.1
54.08594	0.1
59.01381	1.1
70.09506	0.5
71.01369	0.3
73.07459	0.1
78.95910	5.5
89.02455	0.1
91.89210	0.1
98.20074	0.2
98.20597	0.1
122.00128	0.3
140.01187	2.2
152.99568	0.5
175.67722	0.1
196.03793	1.4
214.04871	3.0
239.20099	1.4
240.20488	2.1
253.09372	0.3
254.09644	0.2
261.22290	0.2
279.23300	100.0
280.23648	8.6
352.93704	0.1
447.83920	0.2
476.27850	7.2
477.28183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
54.32193	0.6
59.01359	0.8
70.05315	2.4
78.95913	32.0
84.25961	0.5
87.54836	0.5
96.96986	0.9
98.20592	0.8
122.00131	0.9
125.30965	0.7
140.01224	5.9
152.99557	3.4
157.45631	0.5
171.00645	2.5
178.97009	0.6
196.03813	10.6
214.04878	2.4
279.23309	100.0
280.23636	8.0
476.27887	30.8
477.28094	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	477.083
Annotation	Desalanylbenanomicinone
Peak:m/z	Relative Intensity
50.26159	0.4
59.01380	2.9
60.48866	0.4
65.00332	1.2
66.99023	0.4
69.49454	2.9
83.01373	0.5
84.91364	0.5
86.50816	0.4
107.01400	2.0
115.76406	0.4
124.01605	0.6
125.02426	0.6
132.02177	0.9
133.02959	6.4
134.03745	1.7
135.04550	0.6
140.40689	0.4
149.02438	1.7
151.00372	6.2
173.04468	0.5
175.03978	2.0
185.09753	2.1
191.05565	1.7
199.04021	1.8
201.01903	1.0
213.22168	0.4
215.03551	0.6
217.05078	1.1
223.04037	0.4
227.03523	2.8
234.77924	0.4
237.12918	2.2
241.05168	0.5
243.02997	0.8
252.15259	2.5
253.15942	3.6
255.02995	25.0
256.03769	34.7
257.04169	1.9
282.70047	0.5
283.02499	43.9
284.03268	100.0
285.04022	52.8
286.04410	3.6
298.04724	1.7
299.05554	0.8
433.09280	32.6
434.09680	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.0
61.01819	0.2
65.00329	1.3
69.49416	1.6
71.01389	0.7
73.02943	0.3
83.01395	0.5
85.02970	0.8
89.02457	0.3
93.03464	0.4
96.95993	0.3
100.22603	0.3
101.02444	0.8
105.03446	0.3
107.01418	2.6
112.80535	0.2
116.92871	0.6
121.02951	0.5
121.90067	0.3
132.02209	0.5
133.02968	11.6
134.03374	0.4
135.04535	0.3
137.02505	0.6
149.02435	2.4
151.00385	6.1
152.99609	0.2
171.04488	0.3
171.10298	0.4
173.04541	0.8
173.06049	0.4
175.04018	3.9
176.04189	0.2
179.03526	0.3
185.06097	0.2
191.04103	0.3
191.05618	1.7
197.06123	0.5
198.03249	0.6
199.04037	3.0
201.02032	1.4
213.05621	0.9
214.02612	0.3
215.03505	0.7
217.05069	2.0
223.04070	0.4
223.64137	0.2
227.03491	0.4
240.04263	0.3
241.04958	1.2
242.02286	0.2
243.02986	1.0
255.03041	1.9
256.03781	4.3
257.04404	0.7
267.03073	0.6
269.04858	0.3
283.02533	2.6
284.03275	10.9
285.04068	100.0
286.04398	6.5
349.42361	0.3
375.05197	0.3
410.98355	0.3
433.09314	30.4
434.09665	2.6
476.70023	0.4
477.20807	0.6
477.27469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46818	0.9
59.01390	12.8
60.01719	0.8
61.98837	3.7
65.00334	1.1
69.35291	4.9
69.35697	1.5
83.01408	1.1
85.02956	0.9
89.02446	1.1
93.03478	2.7
96.96022	3.4
105.84925	0.8
107.01434	2.6
113.02477	1.2
125.02425	0.9
132.02203	0.9
133.02965	6.5
134.03746	1.6
135.04562	2.0
137.02467	1.9
146.03781	1.0
149.02449	1.7
149.06070	1.3
151.00378	5.4
161.02472	2.9
171.10295	1.3
173.04590	4.5
175.04056	2.9
176.04042	1.0
179.03590	1.2
191.05644	6.1
193.05078	3.1
199.04057	2.4
217.05017	1.5
227.03532	1.7
239.03775	1.2
255.02997	27.7
256.03769	37.8
257.04187	2.5
283.02515	48.5
284.03275	100.0
285.04016	51.3
286.04407	3.2
433.09283	44.8
434.09616	5.2
457.28012	1.3
477.15292	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	477.0828
Annotation	Desalanylbenanomicinone
Peak:m/z	Relative Intensity
55.62723	0.4
59.01386	3.9
60.61819	0.3
63.02415	0.5
65.00341	1.3
69.19488	3.7
71.01390	1.5
78.10954	0.4
83.01403	0.9
85.02964	0.6
85.37205	0.3
86.88707	0.5
88.08607	0.4
93.03440	1.0
96.96023	10.4
99.00933	0.4
101.02479	0.6
105.03478	0.4
107.01393	3.1
114.96146	0.4
118.94206	1.5
121.03002	0.6
124.12352	0.4
130.63072	0.3
132.02177	1.0
133.02968	14.8
134.03818	0.5
135.04547	0.5
137.02449	1.9
149.02440	2.4
151.00386	8.4
161.02406	0.9
161.41907	0.4
171.10378	0.5
173.04573	1.2
175.04001	3.9
176.04167	0.6
178.96291	1.6
179.03526	0.6
189.05592	0.4
191.05659	4.0
192.05988	0.4
197.06076	0.6
198.03191	0.9
199.04021	3.3
201.01955	1.4
213.05580	0.9
215.03539	0.7
217.05049	2.4
223.04042	0.4
227.03493	0.4
229.05078	0.4
241.05025	1.5
243.03029	1.7
249.59566	0.4
255.03047	4.2
256.03778	9.5
257.04233	1.4
267.02914	0.7
283.02478	4.9
284.03287	24.1
285.04065	100.0
286.04404	6.4
375.05246	0.7
389.07266	0.5
433.09296	81.6
434.09616	9.2
435.13144	0.9
455.26465	0.6
477.15097	0.5
478.72565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72239	0.8
52.22767	0.9
55.01868	1.8
55.84483	0.9
57.03449	1.5
58.83822	0.9
59.01387	13.0
61.98835	1.9
62.31627	1.1
62.32261	0.9
67.01921	0.9
68.99809	1.9
69.82195	1.2
71.01019	1.2
71.01394	14.3
72.99287	1.4
73.02949	4.4
83.01373	3.5
83.05041	1.4
85.02956	6.8
87.00846	2.1
89.02441	2.8
93.03468	70.0
94.03787	2.0
95.01385	4.4
96.96040	5.6
96.99307	2.3
98.20610	2.1
101.02448	14.3
107.05027	1.1
108.02187	55.5
109.02457	1.2
113.02437	6.7
119.05013	1.4
121.02937	3.9
123.04539	40.6
125.02399	1.8
125.99622	1.1
133.02954	1.2
135.04489	1.6
136.01677	66.6
137.02466	95.1
138.02763	3.8
142.91855	1.0
147.04509	1.7
149.02391	2.2
150.03198	1.5
151.04024	100.0
152.01190	6.2
152.04326	3.1
161.02370	1.5
161.04555	1.8
163.03899	1.0
165.05615	1.3
167.03516	7.2
173.04576	1.3
175.03934	1.2
176.04033	1.0
179.03467	3.5
181.04980	1.1
188.06013	1.1
191.03461	2.1
191.05611	4.7
193.12502	1.1
195.02927	3.4
209.04648	1.4
213.11330	1.5
221.04570	2.1
232.09103	0.9
239.05650	2.5
281.06693	80.9
282.06879	4.7
286.84784	1.1
357.09683	2.1
374.10037	1.2
405.12015	4.6
417.21222	1.1
433.11493	10.1
449.10892	1.4
477.10287	56.4
478.10605	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	477.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28614	0.8
56.97782	0.9
56.98042	15.4
57.03473	0.9
58.99598	0.9
59.01389	3.9
60.97488	0.8
70.53902	2.1
71.01379	4.4
71.37034	0.8
73.02960	1.2
73.98333	2.7
74.99104	100.0
75.99477	0.8
83.01392	0.9
85.02948	4.8
87.00883	10.0
89.02459	2.2
90.22182	0.7
95.01417	1.3
96.96009	1.5
99.00900	1.8
101.02470	3.5
113.02466	11.5
115.54317	0.8
117.00193	1.5
118.98096	7.4
131.44298	0.9
149.12724	0.8
155.19310	0.8
161.04555	1.2
162.03275	1.2
191.05688	0.8
194.92795	0.9
228.72266	0.8
237.04395	39.8
238.04680	2.4
249.06073	1.1
281.03375	5.5
288.11371	0.8
299.04446	27.7
300.04672	1.7
441.19516	1.1
477.17557	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	477.1404
Annotation	Persicogenin 3'-glucoside
Peak:m/z	Relative Intensity
59.01378	0.7
63.99260	0.4
65.00341	0.9
69.03459	0.7
71.01397	0.7
73.02967	0.8
79.01900	1.5
81.03462	1.6
83.01399	1.6
93.03436	0.7
95.01417	1.3
97.02980	2.5
98.20779	0.9
105.03467	0.5
107.01404	3.7
108.02195	1.4
109.02988	0.9
114.36176	0.4
121.02986	3.0
122.03763	1.3
123.00926	1.2
125.02461	6.5
133.02960	1.4
134.03764	1.3
135.00923	3.9
135.04550	4.3
136.01683	11.6
137.02480	2.4
147.04527	1.1
149.02451	2.6
149.06090	2.8
150.03244	5.4
151.00432	1.2
152.01248	0.5
161.02513	0.7
163.00397	7.3
163.04059	0.6
164.01186	10.9
165.01973	4.4
166.02708	1.5
174.03273	0.4
175.00366	1.3
175.03983	1.4
176.01190	0.9
177.01945	3.0
178.02744	7.3
179.03485	0.6
189.05679	0.5
189.99095	1.5
190.99899	2.4
191.03471	2.7
192.00656	2.3
193.01430	3.8
199.04062	1.4
201.02029	0.5
203.03473	0.4
205.01375	2.4
205.08835	0.5
206.02203	2.2
210.01788	2.6
211.07707	0.7
213.05606	1.3
215.03491	1.9
216.04315	0.5
217.04941	0.6
218.05791	0.5
219.02963	3.4
220.03471	0.6
227.07114	1.0
229.05029	0.6
229.08736	1.0
231.06670	1.2
237.05704	1.1
238.00911	0.6
239.07269	0.7
241.05043	1.0
242.05803	0.6
243.06609	0.9
247.09680	0.7
253.05162	0.7
254.05714	0.5
255.06566	2.0
256.07321	0.7
257.04675	1.0
269.08255	1.1
270.09030	0.9
271.06198	1.3
271.09778	0.5
272.07065	0.6
273.07611	0.5
281.04633	0.8
283.06064	1.0
285.07800	0.7
285.11093	0.8
286.08420	1.0
287.09171	0.9
289.10681	0.5
295.06125	0.7
297.07632	0.5
298.08508	0.7
299.05646	3.3
300.06174	0.7
313.07227	4.9
313.10492	1.0
314.07977	5.4
315.08652	2.7
323.05832	0.5
327.05151	1.3
327.08673	0.9
329.06879	0.8
329.10321	5.3
339.08780	1.8
341.06741	0.8
342.07471	5.4
343.07941	0.9
355.08026	0.7
357.09818	87.0
358.06201	0.7
358.10199	8.0
369.09778	1.3
387.10989	2.5
433.20651	0.7
477.14041	100.0
478.14365	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	477.1406
Annotation	7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside
Peak:m/z	Relative Intensity
52.39644	0.4
52.67393	0.4
53.15364	0.4
59.01383	6.1
60.01734	0.4
62.12202	0.4
65.00349	1.0
67.01895	0.5
68.99832	0.6
69.03458	0.7
69.83038	1.6
71.01389	0.8
71.52711	0.5
73.02954	0.5
74.02518	0.4
77.03944	0.6
79.01894	1.3
81.03464	1.2
82.83214	0.4
83.01395	1.3
85.02956	0.8
86.41673	0.4
89.02467	0.6
93.03480	1.5
95.01393	0.8
97.02967	1.6
101.02541	0.4
105.03510	0.7
105.94535	0.4
107.01405	4.1
108.02182	1.3
109.02991	1.1
113.02467	0.7
119.05109	0.4
121.02966	3.4
121.68480	0.4
122.03752	1.2
123.00901	1.4
123.04523	0.5
125.02486	6.1
133.02942	0.5
134.03764	1.4
135.00894	3.6
135.04533	4.2
136.01669	10.7
137.02469	2.9
138.03235	0.7
147.04543	0.9
149.02400	2.6
149.06107	2.4
150.03238	4.7
151.00388	0.8
152.01094	0.6
160.01720	1.0
161.02504	1.0
162.03107	0.5
163.00385	6.4
163.04062	0.7
163.99904	0.8
164.01178	9.6
165.01950	4.3
166.02715	1.3
173.04588	1.2
174.03249	0.6
175.00400	0.9
175.04077	2.4
176.01114	0.8
177.01968	3.5
178.02734	5.4
179.03476	1.1
189.05495	0.6
189.99147	1.0
190.99881	1.9
191.03528	2.6
191.05611	1.8
192.00616	2.1
193.01407	3.0
199.04045	1.6
201.01991	1.1
201.05730	0.4
205.01413	1.6
205.08633	0.6
206.02242	2.0
210.01677	2.6
213.05609	1.3
214.06198	0.6
215.03535	1.6
216.04250	0.7
217.04991	0.6
218.05576	0.5
219.02991	3.8
227.07091	1.2
229.05078	0.5
229.08676	0.5
231.06657	0.8
237.05466	0.5
238.01062	0.7
241.05000	1.1
243.06670	0.5
253.05060	0.6
254.05730	0.8
255.06639	2.0
269.04782	0.6
269.08203	0.6
270.08902	1.4
271.06177	1.5
271.09473	0.9
272.07074	0.5
273.07550	0.6
283.06085	1.3
285.04269	0.8
285.07675	0.6
285.11417	0.9
286.08478	1.1
287.09256	1.8
289.10660	0.6
295.06168	0.7
297.07669	0.7
298.04828	0.7
298.08487	1.3
299.05685	2.1
301.07379	0.6
312.06314	0.6
313.07190	5.0
313.10870	1.2
314.04379	0.7
314.07834	4.6
315.08655	3.1
327.05078	1.3
327.08560	0.9
329.10376	4.9
339.08810	1.3
341.06720	0.8
341.10431	0.7
342.07434	4.9
343.07791	0.8
346.07233	0.6
355.08160	0.6
357.09814	82.7
358.10208	7.9
369.09705	1.0
387.10803	2.4
414.64606	0.4
477.14044	100.0
478.07791	0.4
478.14371	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1558
Annotation	ZHD-0501
Peak:m/z	Relative Intensity
53.72639	0.7
57.03447	1.0
59.01377	3.1
63.02401	1.0
65.00329	4.7
70.01627	3.2
71.38951	0.8
78.95909	2.0
80.56582	0.8
83.01406	4.1
98.20665	0.8
98.89062	0.8
107.01427	6.6
117.67882	0.8
121.02993	0.9
124.01624	1.6
125.02464	5.9
133.03012	0.8
151.00391	12.2
171.10263	1.4
185.06085	1.0
189.05574	1.6
196.05278	1.1
199.07625	1.7
209.06097	0.8
209.11876	2.6
211.04004	1.0
211.13393	1.5
214.02829	0.9
224.04713	1.6
225.05515	1.7
226.06369	1.2
227.07065	1.9
228.07869	1.2
230.13951	1.2
237.05617	1.2
239.07237	1.4
241.05016	1.4
241.08559	1.6
249.05510	2.0
249.14841	1.1
251.03488	0.9
251.20096	1.5
252.04250	2.0
252.20486	1.3
253.04912	1.2
254.05904	1.9
263.03479	1.7
264.04178	2.0
265.05011	2.9
265.08679	2.5
266.05643	1.2
267.06784	1.0
268.07523	0.8
269.08301	1.7
277.05051	2.0
278.05667	0.9
279.03027	5.4
289.08762	0.9
292.07388	1.2
293.04581	5.2
293.08206	3.6
294.05206	2.8
294.08521	1.0
305.04401	1.0
305.07962	0.9
306.05438	1.4
306.08966	0.8
307.02530	2.0
307.06030	1.1
308.03146	2.2
308.06769	1.2
321.03928	0.8
322.04871	4.0
323.05469	1.4
334.08337	1.2
337.07224	1.9
351.08795	9.3
362.08044	2.1
379.08118	4.5
380.09042	11.5
381.09406	1.2
391.15500	1.6
419.11530	2.2
477.15573	100.0
478.15814	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	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03714	0.7
57.03456	1.2
59.01388	10.3
65.86573	0.6
69.03457	2.9
71.01385	8.2
71.05032	2.0
71.55269	0.9
73.02959	2.5
74.02486	2.1
76.79356	0.6
83.01382	1.1
85.02958	2.6
87.00896	0.8
89.02450	5.4
91.04018	0.8
95.01384	1.0
96.96021	1.5
97.02959	0.9
101.02456	6.9
113.02469	3.1
119.03529	1.5
125.02460	0.8
125.09744	2.3
135.04535	0.9
136.01646	2.0
137.02473	0.7
146.03749	23.0
148.05331	4.9
151.04030	3.0
151.11307	2.6
153.12869	1.7
161.04620	1.7
161.06100	5.8
161.09755	3.6
163.04065	0.7
169.53864	0.6
174.03223	2.0
176.04057	0.7
179.10794	8.1
189.01996	1.1
189.05579	1.7
190.02744	0.7
191.05617	2.0
197.11847	87.0
198.12251	4.4
218.02219	27.7
219.02527	1.9
223.09749	1.9
233.04562	61.2
234.04912	2.5
241.10815	7.2
253.09300	5.4
269.04480	1.0
315.05121	1.4
357.09799	1.6
430.39108	0.6
477.19794	100.0
478.20129	12.0
478.26578	1.9
497.76559	0.7
500.63055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
59.01382	10.9
61.98843	3.1
65.04984	0.8
69.03453	4.2
69.30466	6.8
71.01396	6.4
71.05006	1.7
72.99290	0.7
73.02953	1.4
74.02483	2.8
81.03452	0.9
83.01392	2.7
83.05031	1.0
85.02954	2.1
87.00887	1.3
89.02456	3.5
93.03470	2.8
97.02972	2.1
100.04857	0.8
101.02454	5.9
106.97559	0.7
107.01396	1.9
108.02192	2.0
109.02962	0.7
113.02481	2.0
114.94395	0.7
118.98112	0.7
119.03506	1.2
121.02988	1.5
122.03674	0.9
123.08165	1.0
125.02490	3.9
125.09754	1.4
133.02989	1.4
134.03728	1.0
135.00885	3.2
135.04523	3.3
136.01660	6.4
137.02429	1.4
149.02507	2.1
149.06062	2.0
150.03244	3.8
151.00365	1.4
151.03960	0.8
151.11252	1.7
153.12871	1.9
161.02489	1.0
161.09727	3.0
162.03185	0.9
163.00446	3.9
164.01204	5.5
164.02382	0.9
165.01921	2.7
166.02733	0.9
167.03601	1.0
173.04596	1.9
175.00240	0.8
175.04033	1.2
176.03947	0.8
177.01961	1.1
178.02710	2.7
179.03560	1.7
179.10814	7.5
189.99187	0.9
190.99883	1.2
191.03694	1.7
191.05672	5.7
192.00676	1.9
193.01378	3.2
197.11847	100.0
198.12218	4.9
199.04031	1.3
205.01413	1.0
206.02252	0.9
210.01701	2.5
213.05577	1.2
215.03548	1.0
219.02971	1.7
223.09792	2.2
227.07085	1.0
238.01100	1.0
241.05055	1.2
241.10846	12.0
253.09370	4.0
253.11853	0.8
254.09564	1.2
255.06586	1.9
269.08118	0.8
271.06329	0.9
287.09109	1.1
299.05621	2.4
300.06607	0.8
303.21814	1.7
313.07117	2.4
314.07861	3.7
315.08829	1.7
325.07080	0.8
327.05136	0.9
327.08813	0.9
329.10278	2.9
333.15753	1.7
339.08759	1.6
342.07452	2.8
343.07901	1.1
357.09811	52.4
358.10364	3.6
387.10992	1.5
400.92975	0.8
459.18610	0.9
477.13947	60.0
477.19946	99.5
478.14285	6.0
478.20258	9.3
478.26859	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38257	1.7
51.31919	1.8
55.01899	2.0
57.03456	3.4
59.01387	100.0
61.98832	6.8
71.01385	15.3
72.99310	2.8
73.02966	10.5
79.01752	2.0
82.95411	5.5
83.01409	2.6
85.02956	6.2
87.00887	4.6
89.02459	10.3
93.03471	11.5
95.01361	2.3
96.96008	2.9
101.02443	14.6
107.05066	3.1
109.02932	10.0
109.44130	2.0
113.02457	6.3
119.03468	3.6
125.02458	4.0
135.04539	9.7
137.02428	9.1
155.03621	2.4
161.02486	4.9
161.04579	3.1
173.04506	11.1
176.04041	10.3
179.03471	8.6
184.03938	1.9
191.05646	21.0
195.06636	2.1
210.55383	1.8
211.13399	2.4
248.42679	2.0
281.06589	3.7
303.21707	2.3
312.56583	1.9
313.31042	1.9
314.09781	2.5
340.15427	1.9
347.36954	2.0
373.18509	2.6
391.19711	4.3
415.19720	4.0
433.20798	64.0
434.21002	4.4
477.14148	6.1
477.23465	3.7
490.82495	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	478.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98833	0.5
69.82342	0.4
71.01382	2.1
71.52950	0.6
74.99125	0.7
78.95907	0.6
79.95732	2.3
96.96022	100.0
112.55619	0.4
127.90916	0.4
137.15434	0.4
146.08237	2.6
234.23396	0.5
240.08742	0.6
274.06268	0.6
316.99982	0.5
380.15631	6.4
381.15976	0.5
418.10211	2.6
420.15277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
59.35270	0.7
78.95914	26.4
80.37069	0.7
81.47571	0.7
83.48224	0.7
88.94031	0.7
122.00150	1.4
140.01190	5.3
152.99591	3.0
171.00684	1.4
186.99117	0.8
196.03821	8.6
210.96574	1.0
214.04924	1.9
241.21735	2.4
242.22043	2.7
262.74652	0.8
281.24866	100.0
282.25162	7.7
314.17068	0.9
390.78012	1.0
478.29419	31.9
479.29764	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	479.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93780	0.5
59.01384	16.0
61.98828	0.6
63.17211	0.4
71.01401	0.9
71.54855	0.6
79.95753	3.5
87.00871	0.5
87.04569	1.1
93.03491	0.8
96.96020	100.0
124.40086	0.5
148.92494	0.5
151.00348	0.7
173.04581	1.1
174.99683	0.5
176.65562	0.5
182.50789	0.5
191.05637	2.9
209.11903	0.5
215.07233	0.6
257.04901	0.6
327.05533	0.6
377.02945	0.6
381.09894	1.2
424.04947	0.6
461.05948	0.6
479.06430	5.0
480.07385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
57.78559	0.7
59.01385	9.0
61.98832	1.3
64.45725	0.8
64.88734	0.8
68.99818	1.7
69.03441	1.0
69.37109	2.7
69.37533	3.9
71.01387	14.1
72.99308	2.3
73.02950	3.4
83.01386	3.1
85.02961	7.1
87.00887	1.9
89.02460	4.0
93.03468	57.9
94.03816	1.8
95.01395	3.3
95.64091	0.8
96.96008	2.3
96.99323	1.6
101.02464	11.7
106.04242	1.2
107.05040	3.3
108.02168	2.4
109.02911	0.8
113.02459	7.8
119.05011	1.6
120.02177	6.2
121.02992	5.6
123.04534	3.7
125.02386	1.1
134.03729	1.0
135.04579	5.7
136.01668	11.5
137.02463	100.0
138.03276	15.1
147.04510	2.2
149.02461	2.0
151.04008	3.8
153.05591	88.2
154.05910	3.6
158.18900	0.9
161.02454	4.1
161.04538	0.9
163.04027	2.1
165.33284	0.7
171.10297	5.3
173.04578	2.8
179.03506	16.8
186.06360	0.8
191.03661	1.8
191.05624	7.7
193.04852	0.9
197.04500	1.4
201.11377	3.2
207.10268	1.8
221.04556	1.8
225.11310	7.3
239.05551	2.4
243.12447	1.2
253.09296	2.4
257.05573	1.2
273.07751	1.9
281.06693	70.2
282.07074	3.9
317.19662	2.0
435.13013	31.0
436.13327	2.8
479.11969	91.9
479.24667	7.1
480.12296	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	479.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26233	0.5
55.73416	0.6
57.03434	1.0
58.05132	0.5
59.01389	7.0
69.03456	0.5
70.34491	1.4
71.01392	5.0
71.05018	2.4
73.02950	1.2
83.01357	0.6
85.02957	2.0
87.00874	1.2
89.02452	2.4
91.13016	0.6
92.52183	0.6
93.03471	1.8
95.05022	0.6
95.61887	0.5
96.95990	1.0
97.02961	4.4
97.06591	1.4
99.00887	15.7
99.92564	0.6
101.02473	4.4
105.65309	0.6
109.02934	0.8
109.06574	1.6
110.03728	0.8
113.02446	2.2
116.92899	3.0
118.94196	0.9
119.03531	1.2
123.08150	0.8
125.09747	5.2
133.02937	0.6
135.04494	0.8
137.02438	1.2
142.02753	0.8
153.01987	0.7
161.02441	1.7
161.04547	1.3
163.11310	7.7
171.10269	1.1
173.04633	0.9
179.03508	0.7
180.01003	0.5
181.10844	1.0
181.12372	16.5
181.13956	0.9
183.62544	0.6
191.05647	6.5
197.11804	1.3
199.13411	12.7
200.13892	0.6
207.10283	24.8
208.10577	2.2
225.11343	42.9
226.11696	2.8
243.12395	31.8
244.12769	1.5
249.16824	0.6
253.09322	3.1
283.73535	0.5
317.16159	1.0
461.20288	1.2
479.21341	100.0
480.21750	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	479.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
59.17438	0.7
60.77468	0.7
61.16301	0.9
68.64823	0.7
74.02478	1.8
77.98306	0.8
78.95918	1.0
81.03459	4.0
81.28024	0.8
91.05541	6.1
92.05066	72.8
93.05402	2.0
96.08210	3.0
99.04523	2.2
102.03500	2.2
104.88428	0.8
117.05553	2.5
119.04991	1.4
131.03786	4.7
131.05011	1.9
135.04579	0.9
136.03003	1.3
136.04054	23.8
138.09288	3.3
146.02461	2.6
146.09775	2.9
159.11818	4.8
171.75981	0.9
174.09325	0.8
184.11363	1.3
186.12895	2.1
188.14502	2.7
190.08768	4.0
192.10329	11.1
202.12347	1.3
204.10318	0.8
216.13943	1.6
218.08205	5.8
236.09286	48.5
237.09671	2.2
260.12924	19.1
261.13348	1.5
277.64035	0.8
342.58279	0.8
479.21906	100.0
480.22238	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	480.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.1
58.00612	0.0
60.09314	0.0
62.96406	0.1
63.48066	0.0
69.19947	0.5
74.74458	0.1
75.22688	0.0
78.95909	18.5
79.33080	0.1
81.21494	0.1
96.96967	0.2
104.97466	0.1
106.08833	0.1
122.98535	0.2
134.98529	0.1
152.99606	2.2
168.04317	2.9
194.05919	0.2
224.06940	8.5
225.07372	0.3
237.06564	0.1
237.22267	0.2
242.07993	1.9
253.21687	0.1
255.23306	100.0
256.23642	6.9
391.22559	0.1
428.19794	0.1
462.20584	0.1
480.30960	22.1
481.31345	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	481.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99656	0.3
51.43298	0.3
54.95331	0.3
59.01381	0.4
60.33579	0.3
69.53123	0.8
69.53532	1.5
72.03385	0.3
78.27872	0.3
78.91904	1.1
78.95922	1.6
79.95751	2.5
96.96021	100.0
150.36565	0.3
165.38547	0.3
199.23950	0.3
253.16269	0.4
363.76556	0.3
383.11407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.3
65.63316	1.1
69.59708	6.1
71.01389	2.0
71.29743	1.0
73.41535	1.1
78.95918	5.7
79.95728	3.2
85.02946	1.6
85.13184	1.2
93.03460	3.2
96.96024	100.0
96.96929	9.7
102.05637	2.6
111.04540	1.4
119.05019	3.3
122.02454	2.0
128.03545	2.2
137.02448	1.2
138.70439	1.1
141.10388	1.1
145.02943	5.0
158.03677	1.2
163.03979	2.2
173.04546	3.8
173.06033	2.3
174.06403	1.5
177.05522	1.3
191.05577	7.7
201.05638	2.7
202.05922	1.3
219.06616	1.5
220.07198	1.8
221.07452	1.6
223.35893	1.2
235.02858	3.6
255.02931	1.4
256.99716	2.0
261.00735	7.0
330.85522	1.3
334.26877	1.2
335.04337	2.1
395.13742	4.2
481.08176	5.8
481.14343	2.0
482.27472	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50292	0.3
57.03458	1.6
59.01388	2.0
60.99313	5.0
62.73332	0.3
64.95995	0.3
65.03963	0.8
67.01897	13.9
69.03467	4.2
69.23849	0.9
69.24271	1.6
71.01389	4.3
71.05032	0.4
72.99319	0.3
73.02946	0.5
79.55141	0.2
81.03473	2.8
83.05027	2.3
85.02948	0.9
87.00102	0.4
87.00332	0.6
87.00886	19.3
93.03468	100.0
94.03813	2.3
97.02931	0.3
97.06611	1.5
99.00880	2.0
99.04534	1.7
101.02444	0.3
107.28564	0.3
109.02968	1.7
111.04531	13.7
112.04863	0.6
113.02399	1.6
115.04019	1.1
124.01659	0.3
127.04041	0.3
129.01955	2.8
133.02080	0.3
133.02942	1.4
134.03758	20.5
135.04568	3.6
137.02455	1.2
139.04041	0.5
143.03534	0.9
143.58376	0.3
153.02007	0.6
155.03517	3.3
162.03215	0.3
173.04561	72.2
174.04922	1.6
177.01932	1.4
178.02725	5.3
179.03499	1.5
191.05576	2.4
231.10277	1.0
247.15463	0.3
275.09320	2.0
283.75717	0.3
306.07373	0.3
307.11844	5.7
308.12143	0.4
449.08307	0.6
449.14587	9.2
450.14948	1.1
466.51193	0.3
481.17191	40.6
482.17493	4.9
509.99292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
58.00599	0.4
59.01384	3.4
60.99311	4.5
62.43006	0.4
65.03975	0.5
67.01898	12.9
69.03462	3.5
69.26667	2.5
69.27090	1.4
71.01387	4.7
72.99296	0.5
73.67246	0.4
78.23003	0.4
79.12546	0.4
80.07012	0.4
80.69281	0.4
81.03474	2.8
83.05035	2.1
85.02971	1.8
87.00887	18.5
93.03469	100.0
93.27914	0.4
94.03799	1.9
96.96033	0.8
97.06585	1.0
99.00900	1.9
99.04530	1.4
101.02460	0.6
105.03526	0.5
105.18019	0.4
109.02946	1.5
111.00955	0.4
111.04534	13.3
112.04917	0.4
113.02489	1.8
113.03156	0.4
115.03997	0.7
129.01945	2.2
133.02988	2.9
134.03760	23.0
135.04575	4.3
137.02466	6.6
143.03549	0.9
155.03508	4.2
155.10779	1.1
161.02528	0.5
173.04562	70.5
174.04868	2.4
177.00610	0.6
177.01915	3.2
178.02728	9.4
179.03525	3.0
191.05641	13.7
192.05971	0.7
199.09735	1.1
231.10251	2.0
241.10889	0.5
257.08139	0.5
268.85037	0.4
275.09244	4.1
276.09747	0.4
283.11838	0.5
289.10803	1.0
306.07422	1.0
307.11926	5.8
308.12033	0.5
359.67136	0.4
364.52899	0.5
431.68060	0.4
449.14551	8.3
459.22537	0.4
481.17188	34.8
482.17511	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02330	0.5
57.03447	1.4
59.01389	1.9
60.99311	4.9
64.62148	0.4
67.01900	12.9
69.03465	4.8
69.26660	3.3
69.27062	1.1
71.01389	5.0
76.81372	0.5
81.03462	2.7
83.05028	2.3
85.02927	0.9
87.00886	18.1
93.03469	100.0
94.03793	2.6
96.96004	0.6
97.06606	0.8
99.00891	1.8
99.04523	1.4
101.02453	0.7
109.02976	1.0
111.04537	14.4
113.02446	1.6
115.04022	1.3
129.01968	2.9
133.02980	1.3
134.03758	21.7
135.04594	3.6
137.02480	2.4
143.03535	1.0
155.03555	3.9
173.04561	75.6
174.04924	2.6
177.01976	2.1
178.02716	4.7
179.03456	1.3
187.10286	0.5
191.05627	1.4
231.10220	0.9
275.09244	2.0
285.37695	0.5
303.30652	0.5
307.11945	6.5
308.12408	0.6
360.98761	0.5
372.57080	0.6
449.14597	11.4
450.14584	1.0
481.17154	36.5
482.17477	4.0
493.66156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.5
59.01380	1.5
60.99307	4.8
66.10986	0.7
67.01530	0.7
67.01896	13.5
69.03464	3.7
69.27001	6.0
71.01390	4.1
73.02917	0.7
81.03467	3.9
83.05034	2.2
85.02955	0.9
87.00889	17.7
93.03469	100.0
94.03809	2.2
98.19812	1.1
99.00889	2.0
99.04518	1.8
109.02940	1.1
111.03834	1.0
111.04537	13.8
111.25629	0.7
113.02450	1.8
115.03989	1.0
129.01976	2.7
133.02943	1.8
134.03767	9.0
135.04533	3.0
137.02451	1.9
143.03532	0.6
155.03540	3.4
173.04561	54.8
174.04936	2.2
175.90764	0.7
177.01955	1.5
178.02715	8.8
191.05563	1.2
191.78279	0.6
201.44696	0.6
215.33087	0.7
275.09286	0.8
308.09241	1.2
449.14587	42.8
450.14905	4.0
481.17157	18.1
482.17798	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	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59869	0.2
59.01381	1.4
60.99307	0.3
67.01894	1.1
69.03467	0.4
69.62920	1.5
71.01389	1.2
81.03448	0.5
83.05052	0.5
85.02961	8.0
87.00887	2.9
93.03471	7.7
99.04485	0.4
104.28882	0.3
104.71908	0.3
109.02967	1.3
111.04536	1.7
113.02434	0.3
125.02407	0.3
127.04039	2.0
144.38129	0.3
146.03728	0.2
155.03528	0.3
155.49237	0.3
159.04552	0.3
168.00662	0.4
171.03044	0.7
172.05287	0.4
173.04581	4.3
173.06050	0.5
174.06876	0.5
187.04010	1.1
187.07663	2.8
191.05627	100.0
192.06004	3.1
201.05586	0.3
202.06316	1.4
203.07175	0.5
203.10640	0.3
213.09245	1.7
215.07126	0.9
228.04419	0.3
231.10255	2.3
245.11838	0.3
257.08221	2.9
275.09280	2.2
289.10904	0.8
307.11923	1.5
420.77621	0.3
428.61304	0.3
449.14609	9.1
450.14865	0.9
481.10718	0.3
481.16959	0.5
490.54446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69908	0.5
56.01564	0.5
57.03450	1.3
59.01382	4.0
60.99306	5.2
66.12208	0.5
67.01896	14.3
69.03457	4.4
69.26796	1.1
69.27200	3.1
71.01386	4.7
73.02974	0.5
81.03464	3.2
83.05038	1.9
85.02962	1.1
87.00885	17.6
92.87476	0.5
93.03468	100.0
94.03817	1.7
98.19912	1.0
99.00901	2.0
99.04537	1.3
109.02956	1.0
111.04534	14.0
113.02475	1.1
113.86982	0.4
115.04013	0.9
118.73507	0.4
129.01923	2.5
133.02985	2.5
134.03763	7.7
135.04556	6.3
137.02438	2.7
139.03995	0.5
143.03551	1.2
149.20940	0.5
155.03549	2.3
162.03261	1.2
162.91057	0.4
173.04562	61.5
174.04900	1.6
177.01923	1.5
178.02744	9.5
179.03511	4.0
182.18503	0.5
191.05641	2.3
275.09253	2.1
306.07474	0.8
307.08264	0.6
308.09140	1.1
351.07294	1.4
352.08023	2.4
449.14563	51.1
450.14902	5.5
481.17151	12.4
482.17627	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	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74789	0.8
59.01377	1.7
61.98836	1.2
66.05572	0.9
71.53207	1.2
75.00874	2.5
78.51957	0.8
79.13017	0.9
82.16782	0.8
82.28789	0.9
82.95459	1.0
85.02945	0.9
88.98752	0.8
93.03450	1.4
96.96027	2.6
113.02426	1.0
136.01653	2.7
137.03546	1.1
139.00200	1.2
151.04031	2.2
191.05675	5.6
195.04510	2.9
197.05969	1.2
212.04874	1.4
213.05559	12.2
214.06044	1.1
223.04066	1.7
224.04599	1.2
241.05092	60.8
242.05420	3.8
256.07428	47.0
257.07816	3.0
271.09772	100.0
272.10199	8.5
319.11841	19.0
320.12137	1.3
329.68481	1.1
353.47934	0.9
421.14319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.3
61.98833	3.6
67.01885	1.5
70.66239	2.6
71.01380	7.9
72.99326	1.5
77.66759	1.0
79.95777	1.8
80.91694	3.7
82.33344	1.0
82.61980	1.0
83.01385	1.3
83.05039	3.5
85.02965	11.0
87.00883	4.0
89.02463	4.7
92.45347	1.1
93.03459	13.8
96.96024	39.9
101.02455	5.7
103.19373	0.9
109.02950	2.5
111.04553	2.5
113.02492	2.8
117.03491	14.5
119.03498	2.2
119.05039	4.3
123.00890	1.9
125.02486	2.8
127.04033	2.1
127.11331	2.3
133.02980	3.1
135.00885	2.6
135.04485	1.9
137.02457	2.5
141.73680	1.0
143.03528	1.2
145.02980	7.8
153.01933	1.0
155.03459	1.9
159.04521	1.0
161.02463	3.7
161.04561	2.4
163.04041	6.7
163.11359	1.6
165.01938	2.9
165.12857	1.5
173.04602	9.5
175.11269	1.3
179.03496	1.3
185.06044	1.6
187.07681	3.2
191.05632	99.7
192.06026	4.0
193.82222	1.2
196.05312	2.9
201.11346	42.5
202.11688	1.8
209.11844	78.6
210.12221	4.2
211.04080	1.4
212.46877	1.1
216.40849	1.3
219.10358	1.0
225.05595	1.3
227.12910	14.5
231.10201	1.8
239.03549	4.0
240.04291	6.7
245.08247	3.4
252.04309	4.8
253.05173	13.8
253.09267	20.3
254.05760	2.2
254.09575	1.1
255.03018	1.4
265.05197	1.6
267.59311	1.1
268.03766	8.8
269.04422	1.5
275.09241	5.4
281.04480	2.4
282.02261	1.4
282.05362	24.7
283.06137	100.0
284.06418	7.2
328.79318	1.1
399.13260	6.2
421.09741	1.2
437.20383	1.7
445.11429	55.5
446.11237	5.0
449.14777	3.1
481.13687	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	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64593	1.2
78.95911	41.6
96.96979	4.1
152.99594	54.2
171.00641	17.0
171.01994	2.1
227.03340	3.3
245.04323	100.0
246.04668	3.5
253.21741	66.3
254.22177	5.2
262.43268	1.3
481.25714	35.1
482.26154	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	483.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
58.47769	0.2
59.01376	0.5
66.09865	0.2
67.84113	0.2
71.01389	0.5
76.09925	0.2
79.95740	0.3
81.03462	0.4
82.95441	0.4
85.02979	0.4
89.03978	1.8
93.03470	0.5
94.98122	0.3
96.95395	0.3
96.96022	5.1
99.04519	0.5
99.81078	0.2
101.02455	0.5
101.83080	0.2
105.03466	2.5
109.02948	0.3
117.25594	0.2
120.70407	0.2
133.02971	7.0
137.02449	0.6
148.01607	0.4
149.02457	1.1
161.04543	0.4
167.03506	0.3
173.04498	0.4
176.01201	1.0
177.01947	100.0
178.02287	4.6
178.22401	0.2
191.05634	3.3
192.05981	0.4
205.91823	0.2
238.05112	0.2
283.06174	0.5
291.45996	0.3
321.06165	0.4
339.07230	17.9
340.07614	1.3
344.36975	0.2
381.08313	7.6
382.08685	0.5
421.11432	0.8
445.11932	0.2
464.17383	0.2
483.10950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25488	0.6
59.01382	2.7
61.98833	2.0
70.69167	1.7
71.01381	2.5
73.02954	0.7
78.73824	0.6
78.95931	3.5
79.95747	1.3
81.03464	0.7
82.95405	0.9
85.02959	8.1
87.00876	2.8
93.03480	4.8
96.96024	47.8
96.96925	6.2
99.92610	0.7
101.02488	0.7
109.02959	0.8
111.04525	1.5
119.04981	1.2
123.04566	0.7
127.04010	2.1
135.04541	0.9
137.02455	1.3
147.04498	0.7
149.02483	1.2
159.04561	1.0
163.04021	1.0
172.05342	0.8
173.04576	4.2
173.05991	1.0
175.06206	0.9
175.07727	0.7
177.02002	1.1
187.07645	1.7
189.09286	0.8
191.05629	100.0
192.05933	3.5
200.04816	2.3
215.07178	5.4
229.08748	2.0
247.09830	1.4
273.07742	3.5
291.08762	1.0
309.09930	1.3
321.93066	0.6
465.14224	3.3
483.14978	3.0
484.27985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01365	2.2
61.98832	1.6
67.01878	1.0
70.91454	1.0
70.91786	0.6
71.01391	2.2
71.50052	0.6
74.99060	0.6
78.95917	5.0
79.95732	3.9
85.02953	2.9
87.00896	1.3
89.02453	0.8
93.03458	3.6
96.96022	100.0
96.96925	8.1
101.02458	1.3
108.02205	0.8
115.68240	0.6
117.70270	0.6
122.11066	0.5
133.02965	1.4
135.04477	1.3
137.02473	1.6
144.33771	0.6
152.01196	1.1
161.02505	1.0
173.04614	3.1
177.01945	8.9
179.03574	0.8
191.05623	22.1
192.05975	1.5
201.11290	0.9
209.12067	0.7
257.08179	0.8
291.02170	0.5
291.08939	0.8
309.09723	0.8
339.07327	2.3
436.49664	0.7
465.13800	0.8
469.09439	0.6
483.15277	3.1
484.15353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.21
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	2.3
59.01371	3.4
61.98824	2.5
67.01884	1.5
67.03008	1.8
69.57175	6.6
70.02971	2.2
71.01384	3.3
73.04071	7.2
74.02475	1.8
75.00850	1.1
82.02995	40.8
84.04556	49.5
84.05067	2.5
85.02978	2.7
85.04082	4.1
93.03458	4.0
96.95457	1.7
96.96027	18.1
97.04163	1.0
101.02476	2.0
109.02962	1.1
109.04066	5.2
109.07733	14.8
110.02528	5.8
112.04010	1.3
112.07710	3.8
113.07244	2.2
119.05018	1.7
124.07682	1.8
126.09254	2.8
127.05145	24.4
128.02599	2.0
128.03557	38.8
135.81369	1.2
138.09251	2.8
141.06725	10.1
149.39807	1.1
151.08774	3.3
152.10762	1.4
153.06689	2.4
153.10391	1.7
155.11922	5.9
162.89546	1.3
167.11830	1.7
169.13474	3.2
173.04558	3.8
173.57861	1.1
181.09837	32.6
191.05641	33.5
192.05991	1.4
195.07758	12.8
195.09264	1.3
195.09625	1.5
195.11388	18.7
199.10887	12.3
213.12465	8.8
261.00919	2.3
262.15741	1.3
266.15015	4.1
280.16483	1.3
296.68039	1.3
310.14200	8.3
311.14310	1.6
324.15692	10.0
354.12909	1.1
377.21915	2.4
395.23026	100.0
396.23309	8.8
439.21869	9.0
472.18152	1.1
483.15186	2.0
483.21121	14.0
484.21167	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	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32322	0.3
57.39009	0.3
60.13766	0.3
64.96275	0.3
70.08308	1.5
78.95909	7.4
88.72787	0.3
96.96972	0.7
133.18237	0.3
143.91396	0.3
150.46397	0.4
151.95171	0.3
152.34862	0.3
152.99606	13.9
158.51009	0.3
171.00636	1.3
179.49596	0.4
202.59950	0.3
227.03287	3.6
245.02113	0.4
245.04358	1.4
255.23317	100.0
256.23645	6.5
483.27313	26.1
484.27701	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	484.292
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
54.11839	0.5
57.03434	1.5
59.01374	2.2
62.24050	0.5
62.79674	0.5
71.05017	2.0
72.04550	0.9
82.03042	0.5
82.72643	0.5
83.05042	0.9
84.04555	5.9
85.06591	2.0
90.45971	0.5
92.61219	0.4
97.06626	2.7
100.04075	0.8
102.05619	21.1
111.08200	0.8
111.38058	0.5
114.09240	1.7
117.33751	0.5
121.10246	0.7
123.08133	0.6
125.09747	1.3
127.19900	0.5
127.44971	0.5
128.03558	39.9
129.03893	0.9
129.40639	0.5
146.04604	3.2
153.12880	5.7
170.48428	0.6
173.04625	0.5
178.64609	0.5
195.47586	0.6
212.20210	0.6
226.18143	1.1
227.16507	2.6
239.16573	1.8
240.19656	0.8
268.22913	3.9
280.22858	0.7
295.22830	1.1
307.22778	1.6
319.22977	1.0
325.23865	12.5
326.24228	1.4
337.23871	3.1
338.31085	0.7
355.24918	46.8
356.25241	4.5
410.28839	2.4
440.30106	7.4
441.30646	0.9
466.28082	9.9
467.28586	0.9
484.29187	100.0
485.29468	14.2
507.87674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93349	0.7
58.12491	0.9
59.01381	7.3
61.98817	1.7
69.03454	1.6
71.01379	3.0
71.54665	1.0
77.26064	0.9
79.95739	0.9
83.01430	0.9
83.05025	1.0
85.02895	1.2
87.00886	1.2
88.04022	1.0
89.02455	1.2
89.03976	1.2
93.03476	5.4
96.96008	3.8
97.06597	0.9
100.12971	0.9
101.02454	1.2
101.04021	1.0
102.05621	2.0
105.03463	2.7
109.02954	1.2
111.04443	1.0
113.02454	2.0
117.03473	18.4
119.05038	55.6
120.05362	2.1
121.03008	4.6
123.04545	2.8
128.03601	4.8
132.02217	4.3
132.05792	2.1
133.02982	15.5
134.03755	53.7
135.04579	5.1
137.02454	5.1
139.03986	2.1
139.11253	1.0
145.02959	25.7
147.04565	1.6
148.05324	2.8
149.06097	4.5
160.01671	15.3
161.02473	7.8
162.03242	10.0
163.04031	42.3
164.04240	0.9
165.01903	1.2
173.04582	5.6
175.04016	9.9
176.04170	1.4
177.01883	3.1
177.05577	8.5
178.02672	1.8
179.03513	4.2
188.01141	3.8
189.01903	1.1
191.05595	7.1
193.05084	23.6
203.03564	4.9
219.06653	2.4
221.04546	7.5
234.05305	3.0
235.06050	1.8
237.07707	1.3
238.18082	1.3
249.07719	1.0
252.06374	3.0
255.03201	1.2
257.34619	0.8
262.04739	6.3
263.05530	2.4
263.10666	1.6
277.07156	8.3
280.05792	2.1
295.08157	2.7
300.65720	1.1
335.07333	1.2
398.09912	4.0
403.67291	1.5
413.06848	1.6
413.12466	30.8
414.12741	3.9
426.09625	3.1
439.05859	0.8
439.10477	12.6
440.10718	1.2
441.11932	100.0
442.12308	11.4
467.09885	14.0
468.09671	2.0
484.28964	1.0
485.10535	7.5
485.16815	0.8
485.29477	3.0
486.11539	1.1
486.26895	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	485.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45650	0.4
59.01381	0.5
65.73988	0.5
69.90293	0.5
70.41450	0.7
70.41830	0.9
74.61343	0.5
79.95745	7.6
80.96520	1.8
93.03481	2.1
94.51477	0.4
94.98119	0.6
95.95251	7.0
96.96022	100.0
105.12619	0.4
110.97596	0.7
120.85519	0.4
122.97596	4.2
134.67265	0.5
135.04558	1.2
137.02477	0.5
145.02995	1.6
146.03748	22.3
147.04625	0.8
161.04782	0.7
161.06064	6.4
163.03995	0.9
164.04802	14.0
165.01917	1.3
173.04572	1.1
177.01949	0.9
178.02747	0.5
179.07167	14.8
180.04257	1.5
180.07555	0.7
181.04845	0.5
191.05553	2.3
192.04346	1.0
193.05077	1.0
194.05856	0.5
195.06644	1.3
207.06703	0.7
217.56540	0.5
225.07668	1.3
230.58441	0.5
273.00818	0.5
288.03143	1.5
305.03387	10.2
305.06693	0.7
306.03665	0.6
385.62079	0.5
441.13797	0.6
467.15466	1.3
485.11227	35.7
486.11536	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	485.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08496	0.3
60.21690	0.2
69.16763	1.3
69.17189	1.7
74.05592	0.3
79.95741	5.7
80.96537	1.2
93.03468	0.6
94.98096	0.4
95.94625	0.3
95.95240	7.5
96.96020	100.0
105.03470	0.6
110.97562	0.4
122.97598	2.1
133.02966	0.6
136.84253	0.3
150.03244	1.1
151.04012	2.6
161.02449	9.6
162.03200	1.0
163.04002	0.4
165.05594	1.1
170.45448	0.3
176.04799	5.4
177.05446	0.6
179.03506	18.0
180.03860	1.0
182.33417	0.3
191.05655	0.6
191.07173	2.2
194.05850	16.6
195.06357	0.8
209.08205	13.9
210.08580	0.9
226.01529	0.3
258.01999	0.9
275.02350	5.4
352.36496	0.4
386.99594	0.3
485.11240	14.1
486.11588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83928	0.4
79.95740	4.0
80.96519	1.0
81.81030	0.3
93.03474	0.8
94.98075	0.4
95.05069	0.4
95.94633	0.3
95.95245	6.9
96.96022	100.0
98.20654	1.3
105.03457	0.9
112.93711	0.5
122.97593	1.7
133.02989	0.7
134.32002	0.3
135.04503	0.3
150.03250	1.0
151.04047	2.5
151.05206	0.5
161.02457	8.9
161.20474	0.3
162.03175	0.7
165.05589	1.1
173.04613	0.3
176.04822	5.5
177.05586	0.7
179.03516	16.4
180.03885	0.8
191.05611	0.7
191.07164	2.2
194.05859	14.9
195.06375	1.0
209.08205	14.1
210.08502	0.7
213.77150	0.3
214.06206	0.3
229.43156	0.3
254.11061	0.3
258.02026	1.2
259.02795	0.6
275.02332	3.8
276.02838	0.3
285.04208	0.6
389.37103	0.3
447.09354	0.4
485.11249	14.9
486.11823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27397	0.3
53.24241	0.3
59.01381	0.7
61.98817	0.3
69.48749	0.9
69.49171	1.0
71.01395	0.9
73.02957	0.3
75.00908	0.3
79.95758	0.5
82.95435	0.8
83.01403	0.3
83.05016	0.7
85.02953	0.6
87.00879	0.3
89.02444	0.6
93.03462	1.6
96.96015	3.4
98.20666	0.3
108.02185	22.6
109.03017	0.5
111.00912	0.5
111.04517	1.5
119.03532	0.4
123.03632	0.6
123.04533	10.5
128.03540	0.9
137.02477	0.8
140.03078	0.3
152.01164	52.5
153.01462	1.6
155.03540	1.0
161.04645	0.3
165.63408	0.3
167.03510	100.0
168.03860	3.1
173.04585	0.9
177.01878	0.4
179.03439	0.3
191.05621	4.3
260.47104	0.3
329.08759	1.1
485.12537	3.1
485.18787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01384	8.5
61.98830	1.3
66.43474	0.6
67.01876	0.7
71.01392	2.4
73.02962	1.7
79.36545	0.6
79.95754	1.0
80.96551	0.7
83.01352	0.9
85.02956	1.6
88.04049	2.2
93.03484	3.8
96.96013	8.7
98.95586	1.4
99.04508	1.4
99.40057	0.7
101.02472	1.8
107.05087	0.9
112.16979	0.7
128.03563	1.4
131.58890	0.7
134.03789	1.3
135.04530	2.3
137.02377	0.7
147.04562	0.9
161.02528	1.8
162.43498	0.7
167.07051	0.7
173.04584	5.0
175.03804	0.8
176.03949	0.8
179.03560	1.1
191.05603	6.9
199.10733	0.9
219.13950	2.0
234.06857	13.8
235.07545	2.6
247.07593	1.4
248.08507	5.1
249.09222	19.3
250.10008	100.0
251.10454	8.8
252.03989	0.9
254.03082	0.7
262.10123	0.8
263.10803	2.2
263.16574	0.9
268.80139	0.7
276.08038	3.3
277.08682	11.4
277.65579	0.7
278.09485	26.4
279.07147	0.8
279.09918	2.5
281.11810	0.8
285.04184	6.2
413.16110	31.2
414.16116	4.1
441.15649	18.4
442.15771	1.7
447.09186	2.6
457.15036	0.8
467.15375	0.7
485.14822	11.9
486.14832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
59.10503	0.8
69.10072	0.7
69.33129	5.7
71.01394	2.2
78.95914	5.9
79.95747	11.8
80.96546	0.8
85.02953	4.0
87.00877	1.7
93.03491	5.3
95.95250	6.2
96.96024	100.0
96.96931	9.7
101.02465	1.2
108.02184	1.0
110.97596	2.2
111.04519	0.9
113.29577	0.7
122.97654	1.1
127.03992	0.9
135.04501	1.9
137.02422	1.1
146.03784	4.4
149.99864	0.8
152.01224	1.8
161.06049	1.5
164.04784	3.1
166.02763	1.5
167.03461	2.1
173.04613	3.8
174.03194	0.8
176.04813	0.9
179.03510	2.6
179.07164	2.9
181.05011	1.8
189.06699	2.2
191.05620	43.3
192.05939	1.7
203.06979	1.2
205.08687	1.2
231.10260	1.4
261.69806	0.7
275.09125	1.0
293.04865	0.8
305.03604	1.0
387.16415	1.7
397.48233	0.8
439.20157	0.9
467.15689	2.9
485.11179	28.6
485.17206	4.8
486.11389	3.0
486.17615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80609	1.1
57.03443	2.2
57.49510	1.0
59.01383	2.9
67.01888	1.1
68.18193	0.9
71.01390	1.3
71.05787	1.6
78.95915	16.7
79.95747	10.9
85.02974	2.2
85.74351	0.9
87.00887	1.8
89.02509	1.1
93.03467	9.2
95.95229	4.9
96.96021	100.0
96.96976	31.3
98.95584	2.3
99.04514	1.8
101.02428	2.3
109.02956	1.6
110.97628	1.1
119.03620	0.9
125.02438	1.7
133.02975	1.2
134.03783	1.3
135.04552	1.9
136.01691	1.6
137.02432	1.8
146.03725	8.8
147.04407	0.9
161.06082	2.4
164.04816	6.6
167.00127	0.9
167.03438	1.5
173.04538	6.8
177.01933	14.0
178.02304	7.5
179.02351	5.4
179.07172	9.0
188.32983	1.1
191.05637	21.4
191.07364	1.0
192.05959	1.0
205.08739	2.6
293.15189	1.0
305.03409	1.9
311.05673	1.7
311.11349	1.3
340.07468	1.3
341.07776	3.7
408.02570	0.9
467.15588	2.5
485.10968	26.7
485.16891	5.7
486.11557	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	485.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03428	1.5
57.58393	1.0
59.01386	34.9
61.98822	2.2
67.01886	1.2
70.70936	1.9
71.01389	25.1
72.99310	2.5
73.02945	4.3
79.95757	9.8
83.01363	5.9
85.02956	9.4
87.00863	3.6
89.02455	18.4
93.03485	5.3
94.03732	1.0
95.01405	1.5
95.95221	4.1
96.96024	65.7
98.69005	1.1
99.04544	1.4
101.02457	25.0
109.02984	1.1
111.00877	1.2
111.04550	1.4
113.02463	8.6
119.03520	6.3
120.63261	1.0
122.97617	1.2
127.03989	1.2
128.03516	1.7
131.03554	2.5
135.04555	2.9
143.03461	1.4
145.07709	3.6
146.03717	8.0
146.04790	1.7
160.06458	13.1
161.04483	4.0
161.07228	74.2
162.07506	3.3
164.04860	5.2
165.41330	1.1
173.04601	5.9
173.10857	1.1
175.08778	28.8
176.04790	1.6
176.09093	1.9
179.03519	2.8
179.05621	2.0
179.07140	4.4
187.08894	7.0
189.06731	98.3
190.07098	5.2
191.05646	50.4
192.05940	1.9
201.10466	5.4
203.08344	24.0
203.11874	4.9
204.08492	1.4
205.08669	1.9
221.06659	2.5
222.41977	1.0
229.09822	9.0
231.10193	1.6
241.09714	2.7
257.08270	1.3
264.43756	1.0
275.09531	1.1
277.11740	1.5
305.03220	3.7
305.07965	1.6
305.11444	27.5
306.11871	2.1
323.12570	7.4
467.16037	5.3
485.11157	19.5
485.17700	100.0
486.11664	2.3
486.18054	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	486.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01387	6.7
61.98827	0.9
62.92475	0.5
63.03189	0.5
65.12704	0.5
68.26215	0.5
71.01389	28.4
71.05020	1.1
71.54062	0.7
71.54482	0.6
72.04553	1.3
73.02976	0.8
77.51922	0.5
85.02946	2.2
87.00884	1.2
87.04529	0.6
88.04053	19.1
88.04591	1.1
89.02420	0.7
93.03462	2.9
96.96018	3.9
97.06599	2.5
101.02439	0.8
109.02955	0.7
115.00385	17.1
116.92870	3.0
121.10236	1.9
123.08144	0.5
125.09709	1.2
128.03503	0.6
132.03038	1.2
133.02957	0.9
135.04466	1.5
137.02455	1.0
137.09741	0.7
139.11299	1.2
149.09705	0.6
152.01231	0.6
155.10753	0.9
156.13960	5.0
161.02422	1.2
166.12358	0.7
171.10289	0.6
172.76180	0.6
173.04581	2.8
176.04034	0.7
177.01979	0.8
179.03491	2.1
184.13467	9.5
184.17068	1.5
184.21706	0.7
185.11971	3.4
185.13423	1.0
191.05626	10.4
192.05957	1.6
196.13513	1.0
210.08517	0.7
212.16614	1.2
213.13699	7.8
214.12128	0.8
214.14380	1.9
224.16530	0.8
227.73174	0.5
238.18144	0.9
240.16086	1.0
242.17575	1.5
253.16988	0.6
254.17642	0.7
264.11365	0.7
265.08786	0.6
265.12360	1.6
283.13297	0.6
296.73239	0.6
334.23767	0.8
341.23300	1.8
352.24820	0.9
370.21671	0.9
370.26016	11.2
371.24362	26.0
372.24545	2.6
376.34470	0.6
412.26517	0.9
421.80814	0.6
424.30963	1.3
442.12161	0.8
442.28030	7.3
468.25986	2.0
473.27087	0.8
474.28049	0.8
486.27106	100.0
487.27322	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	486.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01391	3.9
61.98833	0.7
62.23783	0.4
69.18400	4.6
71.01376	1.4
74.02463	0.4
79.05538	0.7
84.04555	4.1
85.02950	1.6
85.06593	0.6
87.00867	0.5
87.04482	0.6
88.04044	1.7
93.03467	1.1
95.05029	1.0
96.11369	0.4
97.06596	11.6
102.05624	19.4
105.00372	0.4
114.09221	0.7
125.87328	0.4
128.03557	32.8
129.03883	0.8
135.04529	0.6
146.04593	2.4
161.02449	0.6
173.04556	1.3
181.15889	0.5
191.05644	1.8
195.17604	0.6
222.18684	0.9
223.16983	1.1
240.19623	0.9
241.18102	10.5
242.18365	0.5
247.61331	0.5
254.24928	0.9
281.11807	0.8
282.12198	1.0
282.24390	3.3
296.25986	1.0
308.25827	0.7
309.24475	1.3
326.23309	1.2
327.25488	6.7
339.25293	1.8
357.26465	33.8
358.26694	2.4
412.30643	1.6
424.30884	0.6
442.31897	6.3
468.29694	6.2
469.30313	0.7
486.30759	100.0
487.31122	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	486.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
58.00590	0.5
59.01389	7.5
61.98835	0.7
66.92772	0.4
67.39184	0.4
69.03465	0.9
70.85103	0.4
71.01395	2.1
71.05022	1.1
73.02953	0.7
77.19031	0.5
82.02988	0.6
82.44572	0.4
83.05041	1.3
84.04556	5.7
85.02959	2.0
86.37146	0.5
87.00900	0.6
89.02420	0.8
93.03461	1.7
93.07115	1.8
95.05033	0.6
97.06597	1.3
98.65887	0.4
100.04047	0.5
101.02446	1.4
102.05621	19.0
107.46603	0.5
111.03283	0.4
113.02457	0.9
114.09286	0.8
116.92855	2.5
121.02991	0.6
121.10232	1.8
126.14310	0.4
128.03552	33.8
129.03880	0.8
135.04570	0.6
137.02391	0.6
137.84229	0.5
145.03030	0.4
146.04648	2.5
150.81796	0.4
161.02464	0.9
173.04521	2.2
191.05608	4.8
199.13431	1.6
212.20193	0.6
226.18106	1.4
227.16493	3.5
240.19644	0.9
265.12488	0.5
268.22873	3.0
282.12097	0.5
297.24435	0.6
309.24393	0.7
311.22266	0.8
327.25424	5.5
334.27435	0.5
339.25482	2.5
357.26486	39.6
358.26889	3.8
375.10724	0.5
390.03574	0.8
412.30676	1.6
424.30969	0.7
442.31766	8.7
443.32053	1.0
468.29678	5.8
469.30261	0.8
486.30750	100.0
487.17612	0.7
487.25281	1.7
487.31180	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	486.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00580	0.6
57.03451	0.8
59.01389	1.5
69.40010	3.0
69.40413	1.3
71.05027	1.2
72.04536	0.6
84.04570	4.7
85.02994	0.8
102.05618	17.1
114.09218	1.0
121.10227	3.1
125.09777	1.1
128.03554	33.2
129.03912	0.8
146.04601	2.5
153.12848	0.8
199.13400	2.7
212.20235	2.6
240.19672	1.7
268.22739	1.6
297.24460	1.4
308.26059	0.9
309.24448	1.4
327.25421	8.1
339.25500	3.8
357.26474	44.2
358.26816	2.7
366.29846	1.2
368.32053	0.7
394.62360	0.6
412.30594	2.1
424.30792	1.1
442.31799	7.6
442.89572	0.7
443.32184	0.9
468.29602	6.9
469.30319	1.1
486.30759	100.0
487.31073	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	487.131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29275	7.9
64.87296	7.2
71.19298	11.3
76.00489	7.4
101.02441	49.5
102.05613	38.7
128.03572	31.8
130.09308	6.0
145.01439	100.0
145.06190	32.2
146.04631	71.8
152.13358	8.6
199.10977	13.7
260.15677	8.4
343.88013	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	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40147	1.8
53.28358	1.7
54.34755	1.5
59.01378	7.1
71.01389	4.2
71.53589	3.2
74.74842	1.6
77.12058	1.6
79.62981	1.8
82.95403	2.2
89.02448	6.0
93.03451	1.8
96.96027	8.7
97.93913	1.9
109.49021	1.8
114.93233	1.7
119.05043	84.5
120.05353	2.7
130.09630	1.7
145.02954	3.6
158.43654	1.9
161.06052	1.9
163.04031	100.0
164.04341	4.0
166.55424	1.8
223.06059	2.6
234.25818	2.1
325.09311	11.0
400.60245	1.7
487.14420	2.9
513.35431	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.01388	58.3
61.98829	5.1
67.01866	2.3
68.40993	1.5
69.62243	1.6
71.01390	7.9
71.29505	1.8
73.02951	3.1
83.01395	1.8
85.02949	6.7
87.00851	3.7
93.03472	9.8
93.03963	1.9
96.96012	4.8
99.00912	1.7
99.71982	2.1
99.92577	5.5
101.02454	2.4
109.02891	1.8
113.02492	2.0
115.00342	2.5
115.92085	2.3
116.92868	43.4
121.02977	2.5
133.02960	7.9
134.03761	3.7
135.04514	7.5
137.02417	4.1
139.86401	1.9
148.22217	1.9
151.17337	1.6
155.03508	1.8
159.67880	1.5
161.02402	5.4
173.04546	15.1
178.02684	2.3
179.03522	8.0
191.03946	3.1
191.05606	29.5
192.06001	2.2
193.05081	2.5
196.08362	2.0
200.00888	3.0
201.01707	1.7
210.97069	6.4
213.08662	2.3
221.09770	1.9
230.98993	2.0
248.08391	6.8
249.09053	2.2
255.02998	27.3
263.10785	22.4
264.11557	100.0
265.12323	33.0
266.12723	2.0
283.02438	9.9
284.03122	2.2
295.09818	2.8
297.04321	1.8
339.35254	1.9
374.06381	17.5
390.03482	6.5
427.17657	60.4
428.17844	7.3
445.24551	2.8
487.12433	18.1
487.25742	8.6
488.09399	10.9
509.17456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44652	9.4
71.52768	12.6
82.02943	13.8
101.02444	21.8
102.05608	38.5
103.91980	10.7
128.03552	71.6
128.24739	10.6
130.22652	10.3
136.07697	24.0
145.01433	52.7
145.06186	33.2
146.04633	100.0
181.09937	13.2
188.85982	11.2
199.10899	69.4
224.05609	14.2
243.09930	25.2
381.85843	11.3
443.13574	13.1
444.13028	12.1
487.12744	13.8
488.11911	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48826	0.8
57.03453	2.3
59.01388	100.0
60.01717	1.1
61.98839	1.3
71.01395	10.2
73.02954	1.8
78.95942	1.2
78.98614	1.1
79.95741	4.0
80.96529	10.7
83.01397	1.7
85.02965	3.9
87.00903	1.2
87.95068	0.9
89.01922	0.6
89.02442	3.8
93.03470	4.4
94.98097	2.4
95.01421	1.5
95.95291	1.0
96.96026	47.8
98.00756	0.9
98.20655	2.3
98.95627	8.4
98.96471	1.1
99.00932	1.7
99.04552	1.2
101.02475	5.0
113.02466	7.2
114.49552	0.7
114.93542	0.9
115.92137	1.4
119.03526	0.9
121.02986	1.1
122.97650	0.8
125.02525	0.9
128.03609	2.8
133.02977	1.4
134.03798	1.3
137.02495	1.1
137.06123	1.3
138.06940	0.9
146.03740	1.7
148.99162	1.2
151.07681	2.1
152.01222	1.1
152.08492	6.5
153.09239	11.4
161.02489	2.9
161.04623	2.3
164.04817	1.6
164.98714	1.8
166.02734	8.0
166.06425	1.2
167.03525	2.1
173.04607	2.8
179.03615	0.9
181.05107	16.2
181.06599	1.1
191.05643	6.2
192.06042	1.0
193.05190	0.9
205.12343	9.7
223.13516	3.1
225.00838	2.9
233.04726	0.8
305.03592	0.8
343.10327	6.5
347.73740	0.8
367.17697	17.7
367.21954	1.1
368.18109	1.3
385.11679	2.0
385.18677	3.8
427.19684	7.5
452.20062	1.1
487.15555	15.6
488.15073	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	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33884	0.8
59.01384	100.0
60.01723	1.0
71.01391	7.9
73.02943	5.1
73.66652	0.9
75.71304	0.8
79.44401	0.7
79.95718	0.9
83.01388	1.9
85.02970	2.4
87.00846	0.8
87.84278	0.8
89.02467	1.8
95.01354	1.0
95.95238	2.5
96.96014	9.0
97.02963	1.8
101.02444	5.3
103.40767	0.7
108.05836	1.1
113.02465	3.1
123.08147	1.2
125.06072	0.9
136.05304	1.0
138.06859	3.4
139.07660	2.3
151.07657	5.5
152.08426	10.9
153.09229	39.5
154.09546	1.9
161.04562	2.5
165.09273	1.1
194.32649	0.9
203.05576	1.3
205.12349	14.2
223.13425	10.7
224.14117	0.8
275.02325	1.3
303.71896	0.9
367.17657	11.0
385.18643	4.8
427.19809	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	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.2
59.01386	100.0
62.91467	0.6
69.03448	0.6
71.01393	5.8
71.54581	0.7
73.02944	6.2
79.95745	5.0
80.96543	1.0
83.01408	2.2
83.79566	0.6
85.02968	2.1
87.00891	0.7
89.02456	1.4
93.03483	2.3
95.95248	7.8
96.96023	53.8
98.45288	0.6
98.95628	1.7
101.02456	6.5
108.02161	0.7
113.02496	2.0
113.06118	1.7
119.03482	1.2
119.04881	0.7
122.97600	1.2
123.04620	0.7
125.02473	0.8
135.04543	0.8
137.09756	1.6
151.04089	1.2
153.09233	4.7
161.04666	2.0
165.09235	5.9
167.03516	1.6
173.04619	1.6
179.03453	1.0
181.05099	11.8
181.06599	1.0
187.11407	1.9
191.05565	3.1
192.05940	0.7
196.07425	6.1
203.05670	1.3
205.12360	3.5
211.09845	2.7
223.13420	22.6
224.13795	0.8
269.04529	1.9
275.02380	4.1
333.74393	0.6
427.19946	1.4
487.12827	16.7
487.30869	1.6
488.13248	1.5
495.04773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01729	0.9
69.57839	0.9
69.58264	2.0
71.01389	2.3
73.02951	3.8
73.91644	0.3
74.17775	0.4
83.01412	0.5
85.02978	0.6
93.03513	0.5
96.96016	0.6
101.02448	3.9
113.02494	1.0
122.06856	0.4
124.46407	0.4
137.02478	0.5
143.03558	0.4
160.07587	0.4
161.02438	1.2
161.04616	0.7
171.21968	0.4
173.04619	1.2
174.05077	0.5
185.29375	0.4
191.05678	0.6
195.17171	0.4
205.12384	3.5
223.13446	0.4
262.97263	0.4
295.81775	0.4
325.09171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60159	0.5
59.01386	2.9
61.98834	100.0
69.74055	0.5
70.46607	1.2
70.47021	1.0
199.07446	0.5
234.44731	0.5
253.09413	0.8
253.21715	9.2
254.78087	0.5
263.13406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28175	1.0
57.03456	18.1
59.01114	2.2
59.01385	30.3
61.98837	51.4
67.01933	1.3
68.70560	1.2
69.37444	7.5
71.01012	2.0
71.01391	25.6
71.05023	1.5
73.02958	1.5
75.00847	1.2
82.66518	1.0
83.01423	1.3
85.02953	7.1
87.00861	2.5
87.04526	2.7
88.04042	16.8
89.02452	1.8
93.03466	6.0
96.96014	1.6
97.06591	5.5
97.52173	1.2
99.00876	1.4
99.04522	14.3
101.02427	7.3
107.52847	1.2
111.04526	2.9
111.33003	1.5
113.02447	2.3
115.00388	15.1
116.92874	4.7
117.92879	2.4
118.95504	1.2
125.02467	8.9
128.03505	1.8
129.01982	1.5
132.03030	1.5
133.02962	2.6
135.04520	2.8
137.02525	1.7
137.09778	1.3
140.82771	1.1
143.10826	2.3
161.02463	2.7
161.04533	6.9
170.15562	1.8
173.04607	6.3
178.02348	1.2
179.03439	2.3
180.13925	1.5
184.13412	6.3
191.05640	20.5
198.15031	22.3
199.13477	5.6
199.15172	1.5
214.98653	1.1
225.15016	3.6
239.16675	1.2
265.12280	2.1
266.12817	3.9
284.03256	3.1
285.04013	5.7
297.11478	1.4
304.38220	1.4
315.01691	1.2
372.27722	3.4
373.25986	17.7
428.65417	1.2
435.35318	1.1
444.29633	6.8
445.30212	1.9
470.27481	1.6
488.28741	100.0
489.10333	3.1
489.29202	10.7
502.74240	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	488.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.7
59.01385	3.8
66.94848	0.5
69.03441	0.7
71.05052	0.7
71.14296	1.3
77.84026	0.5
84.04549	5.7
88.98841	0.7
93.03439	0.5
97.06580	1.0
102.05620	16.7
113.09744	0.7
114.09284	0.6
122.78320	0.5
123.08199	0.8
128.03554	30.9
135.04538	0.6
136.12306	0.5
146.04575	2.3
148.36990	0.6
153.12871	0.8
173.04486	0.6
191.05612	1.3
212.20255	2.8
240.19675	1.8
255.03055	2.0
268.22864	1.9
294.24405	1.3
313.23871	5.8
341.27200	2.7
354.30173	2.0
357.26450	0.7
359.28043	48.9
360.28290	3.6
444.33276	9.2
445.33759	0.9
470.31158	5.3
470.75586	0.6
488.32327	100.0
489.27145	0.5
489.32693	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	489.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.8
60.99313	15.1
71.01378	1.1
85.02948	1.2
87.00892	0.8
88.98816	100.0
89.99140	0.7
93.03471	1.8
98.20693	1.1
101.02468	1.0
111.26353	0.6
119.05025	4.2
128.03500	0.7
133.03030	0.9
133.66188	0.7
135.04552	3.8
145.02965	2.1
161.02483	3.1
163.04031	5.3
173.04581	1.6
178.16754	0.6
179.03493	0.8
191.05661	2.8
223.10863	0.8
229.38623	0.8
235.06197	1.2
253.07309	4.0
285.03848	0.8
399.10870	18.6
400.11292	2.6
489.27463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1042
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01384	11.2
63.02402	1.5
65.00327	1.6
69.68559	1.1
69.68964	0.5
76.45505	0.2
83.01383	1.3
84.33035	0.2
89.02415	0.2
93.03487	0.3
96.96017	0.6
101.02460	0.3
105.03505	0.4
107.01398	3.3
108.02238	0.3
109.02969	0.6
121.02947	0.8
132.02223	0.5
133.02962	5.9
134.03792	1.7
135.04425	0.2
140.37964	0.2
147.04510	0.3
148.01682	0.5
149.02432	1.4
149.99590	0.7
151.00389	5.3
161.02451	0.4
169.01436	0.2
171.04491	0.3
173.04642	0.3
173.06082	0.2
174.03232	0.2
175.03992	1.9
177.01968	3.0
183.04581	0.7
184.05284	0.3
185.05971	0.3
187.04008	0.9
191.05527	0.3
197.06111	0.3
198.03204	0.4
199.04054	2.2
200.04823	1.2
201.01915	0.5
211.04060	1.5
212.04797	0.5
213.05544	0.5
214.02667	0.3
215.03485	0.4
217.05058	0.8
227.03523	2.8
228.04308	0.4
239.03471	0.7
241.05048	0.8
243.02974	0.8
255.02985	1.9
256.03760	5.1
257.04407	0.4
267.02972	0.4
269.04678	0.3
283.02393	1.0
284.03284	74.3
285.04044	100.0
286.04425	5.6
297.04068	0.6
299.05798	0.4
327.05167	1.3
412.98422	0.2
429.08099	1.3
447.09283	0.7
489.10403	84.2
490.10785	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	489.104
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03449	5.0
59.01388	92.5
59.75442	0.6
60.01723	0.8
61.98845	2.4
63.02425	1.6
65.00336	1.1
67.01892	0.8
67.75903	0.7
71.01388	10.0
71.54678	1.1
73.02953	7.5
75.00883	0.8
81.03467	0.8
82.95425	27.9
83.01396	3.8
83.05010	0.7
85.02959	4.8
87.00898	1.9
88.04076	1.3
89.02465	2.5
89.84289	0.7
93.03465	6.3
95.01406	1.3
96.96051	3.7
97.06624	0.7
99.00899	1.2
99.04542	2.7
101.02465	10.5
102.05618	1.0
107.01371	3.8
108.02228	1.2
109.02959	1.3
111.04556	1.2
113.02441	3.8
116.92906	0.9
119.03526	1.7
119.05087	0.7
121.03014	0.8
125.02483	1.5
128.03664	0.7
131.03572	0.8
133.02992	5.9
134.03793	2.2
135.04559	3.0
137.02505	2.4
143.03558	1.0
145.03047	0.9
146.03613	0.7
148.05168	0.7
149.02492	1.6
149.04599	2.1
151.00423	4.5
151.03990	0.9
155.03488	1.3
161.02487	3.4
161.04576	3.9
173.04562	6.7
175.04034	2.4
176.03976	1.3
177.01990	0.9
179.03505	2.2
183.04497	0.8
191.05627	17.2
192.05931	1.3
199.04008	2.8
200.04890	0.9
207.13907	1.2
211.04045	1.2
217.05098	0.9
221.06546	1.0
225.15062	1.9
227.03575	3.1
230.49860	0.8
236.05058	1.1
241.04950	1.0
249.05693	1.3
250.06384	1.4
255.03073	1.2
256.03842	5.5
265.08679	3.7
267.02899	0.9
267.10291	1.2
281.06677	1.5
284.03287	76.5
285.04053	100.0
286.04422	5.9
297.11462	0.9
299.06012	0.9
327.05084	1.6
327.08707	3.4
387.20523	0.9
429.08463	1.6
488.28046	3.4
489.10376	82.8
489.27988	4.8
490.10620	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	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.0
59.01388	92.5
59.75442	0.6
60.01723	0.8
61.98845	2.4
63.02425	1.6
65.00336	1.1
67.01892	0.8
67.75903	0.7
71.01388	10.0
71.54678	1.1
73.02953	7.5
75.00883	0.8
81.03467	0.8
82.95425	27.9
83.01396	3.8
83.05010	0.7
85.02959	4.8
87.00898	1.9
88.04076	1.3
89.02465	2.5
89.84289	0.7
93.03465	6.3
95.01406	1.3
96.96051	3.7
97.06624	0.7
99.00899	1.2
99.04542	2.7
101.02465	10.5
102.05618	1.0
107.01371	3.8
108.02228	1.2
109.02959	1.3
111.04556	1.2
113.02441	3.8
116.92906	0.9
119.03526	1.7
119.05087	0.7
121.03014	0.8
125.02483	1.5
128.03664	0.7
131.03572	0.8
133.02992	5.9
134.03793	2.2
135.04559	3.0
137.02505	2.4
143.03558	1.0
145.03047	0.9
146.03613	0.7
148.05168	0.7
149.02492	1.6
149.04599	2.1
151.00423	4.5
151.03990	0.9
155.03488	1.3
161.02487	3.4
161.04576	3.9
173.04562	6.7
175.04034	2.4
176.03976	1.3
177.01990	0.9
179.03505	2.2
183.04497	0.8
191.05627	17.2
192.05931	1.3
199.04008	2.8
200.04890	0.9
207.13907	1.2
211.04045	1.2
217.05098	0.9
221.06546	1.0
225.15062	1.9
227.03575	3.1
230.49860	0.8
236.05058	1.1
241.04950	1.0
249.05693	1.3
250.06384	1.4
255.03073	1.2
256.03842	5.5
265.08679	3.7
267.02899	0.9
267.10291	1.2
281.06677	1.5
284.03287	76.5
285.04053	100.0
286.04422	5.9
297.11462	0.9
299.06012	0.9
327.05084	1.6
327.08707	3.4
387.20523	0.9
429.08463	1.6
488.28046	3.4
489.10376	82.8
489.27988	4.8
490.10620	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	489.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90984	0.3
57.03451	1.2
59.01385	11.7
60.18919	0.3
69.16488	0.9
69.16895	2.6
70.01747	0.3
70.20834	0.3
71.01389	1.8
73.02946	0.9
75.00890	0.8
79.95746	10.7
80.96523	2.8
83.01406	0.4
85.02953	1.1
87.00877	0.4
88.98817	0.9
89.02450	1.5
93.03468	1.2
94.98115	0.7
95.94617	0.5
95.95242	14.5
96.96022	100.0
97.02923	0.6
98.20605	0.8
98.95609	0.7
99.04540	1.5
101.02467	1.4
107.04997	0.4
109.02988	0.5
110.97591	1.3
113.02468	1.2
121.03001	0.6
122.03769	2.4
122.97590	6.2
125.02467	1.8
135.00867	0.5
135.04498	0.6
137.02454	0.4
138.03261	0.3
141.95764	0.4
146.05727	0.4
149.02386	0.7
149.04607	0.3
150.03267	2.4
151.03995	0.5
152.99606	0.3
153.01967	10.1
153.05560	3.7
161.02394	0.3
161.04617	1.6
163.03951	0.3
165.01949	2.5
166.02798	0.3
167.03592	0.4
168.04297	13.3
169.04570	0.5
171.10333	0.5
173.04570	0.8
175.03928	0.5
177.01936	1.9
178.02678	0.3
179.03467	0.4
179.05589	0.5
180.04271	2.0
181.05128	0.4
183.06636	20.0
184.06979	0.9
191.05641	2.6
192.04297	1.2
192.05898	0.4
193.05019	0.9
195.06520	1.5
207.06615	0.9
211.73929	0.3
225.07669	1.3
225.11333	0.4
263.07648	0.8
275.02350	0.4
277.31100	0.3
285.03928	0.3
288.03113	1.2
288.38193	0.3
289.03854	0.7
297.04050	0.7
297.07361	0.3
305.03394	16.0
306.03629	0.9
323.09680	0.5
453.15466	0.7
466.44522	0.3
471.16422	0.8
489.10739	24.3
490.11087	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90984	0.3
57.03451	1.2
59.01385	11.7
60.18919	0.3
69.16488	0.9
69.16895	2.6
70.01747	0.3
70.20834	0.3
71.01389	1.8
73.02946	0.9
75.00890	0.8
79.95746	10.7
80.96523	2.8
83.01406	0.4
85.02953	1.1
87.00877	0.4
88.98817	0.9
89.02450	1.5
93.03468	1.2
94.98115	0.7
95.94617	0.5
95.95242	14.5
96.96022	100.0
97.02923	0.6
98.20605	0.8
98.95609	0.7
99.04540	1.5
101.02467	1.4
107.04997	0.4
109.02988	0.5
110.97591	1.3
113.02468	1.2
121.03001	0.6
122.03769	2.4
122.97590	6.2
125.02467	1.8
135.00867	0.5
135.04498	0.6
137.02454	0.4
138.03261	0.3
141.95764	0.4
146.05727	0.4
149.02386	0.7
149.04607	0.3
150.03267	2.4
151.03995	0.5
152.99606	0.3
153.01967	10.1
153.05560	3.7
161.02394	0.3
161.04617	1.6
163.03951	0.3
165.01949	2.5
166.02798	0.3
167.03592	0.4
168.04297	13.3
169.04570	0.5
171.10333	0.5
173.04570	0.8
175.03928	0.5
177.01936	1.9
178.02678	0.3
179.03467	0.4
179.05589	0.5
180.04271	2.0
181.05128	0.4
183.06636	20.0
184.06979	0.9
191.05641	2.6
192.04297	1.2
192.05898	0.4
193.05019	0.9
195.06520	1.5
207.06615	0.9
211.73929	0.3
225.07669	1.3
225.11333	0.4
263.07648	0.8
275.02350	0.4
277.31100	0.3
285.03928	0.3
288.03113	1.2
288.38193	0.3
289.03854	0.7
297.04050	0.7
297.07361	0.3
305.03394	16.0
306.03629	0.9
323.09680	0.5
453.15466	0.7
466.44522	0.3
471.16422	0.8
489.10739	24.3
490.11087	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16462	0.4
52.77315	0.4
57.03455	44.7
58.03789	0.7
59.01385	3.0
60.49704	0.4
67.01875	0.4
70.83305	0.5
70.83620	0.8
71.01385	0.8
77.54819	0.3
78.68627	0.4
81.03454	1.1
81.72707	0.4
83.01395	0.7
89.02433	0.7
91.68214	0.4
95.01359	0.4
96.96002	1.4
99.04530	27.2
101.02444	8.0
103.30728	0.4
108.57221	0.4
111.00908	0.4
112.91779	0.4
121.03014	1.0
122.03767	3.7
125.02467	11.8
125.60187	0.4
135.00905	0.9
135.04546	0.6
138.03278	0.8
146.33937	0.4
150.03253	3.8
153.01952	14.5
153.05586	6.1
154.02275	0.8
165.05539	0.5
168.04300	25.1
169.04823	0.6
183.06641	100.0
184.06950	4.3
191.05690	0.8
209.04622	0.7
267.08829	0.9
489.16379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66222	0.3
57.03456	1.6
59.01385	11.0
60.99294	0.9
61.53012	0.3
61.98819	0.3
67.01879	1.6
69.03454	1.1
70.54749	0.7
70.55150	0.7
71.01379	2.0
72.04580	0.4
73.02940	0.5
77.77390	0.3
81.03452	0.8
83.05017	0.9
84.04546	2.6
84.85491	0.4
85.02959	10.2
87.00895	3.9
88.98825	2.1
89.02458	0.4
93.03468	11.3
101.02449	0.5
102.05624	6.9
103.05939	0.5
107.13307	0.4
109.02946	0.7
111.04528	2.3
113.02438	0.9
113.09743	0.7
114.09277	0.5
125.09741	0.8
127.04025	2.8
127.11304	0.8
128.03554	12.2
129.03929	1.7
132.60078	0.3
133.03012	0.8
134.03748	1.4
135.04510	1.3
137.02487	0.8
137.09764	0.5
140.06851	0.4
146.03616	0.5
146.04628	1.0
155.03543	0.5
161.02461	1.3
171.03110	0.8
171.04497	0.5
171.10187	0.6
172.05334	0.8
173.04562	9.0
173.06038	0.4
174.03242	2.4
174.04665	0.5
179.03419	0.6
185.02435	1.2
191.05627	100.0
192.05956	2.5
196.27565	0.3
198.18565	1.6
199.04001	1.3
199.18951	0.8
200.04784	2.9
201.11362	3.2
202.02707	1.3
206.02184	0.8
213.11301	1.8
226.18144	0.5
227.18387	0.4
228.04373	1.3
243.13826	0.4
252.25822	0.3
269.11877	1.4
284.03125	0.7
285.03915	0.6
297.11343	19.7
298.11609	1.8
309.20822	0.6
313.23831	1.3
314.24200	0.7
315.09283	0.4
315.12375	2.5
327.21851	3.8
342.27341	0.5
353.28729	0.4
354.30246	0.6
359.28030	11.5
360.28412	10.3
378.86136	0.4
444.33316	1.9
445.33624	2.5
447.26208	0.4
470.31256	1.4
471.31180	1.0
488.32285	15.9
489.10883	0.6
489.17712	5.4
489.26834	3.1
489.32788	24.2
490.32950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26570	0.6
59.01385	100.0
60.01715	0.8
62.11090	0.5
70.99698	1.4
86.86346	0.5
96.96010	0.9
101.02457	0.6
118.91421	0.6
120.85879	0.6
150.38333	0.6
183.89261	0.6
211.90933	0.6
219.24921	0.6
338.74854	0.6
414.17926	0.7
429.21249	0.8
471.15961	0.6
474.54489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01714	1.1
62.43764	0.4
65.76723	0.5
69.51028	1.9
69.51451	1.6
71.01392	2.4
73.02959	0.8
84.08160	0.5
89.02471	0.6
101.02482	0.8
113.02502	1.2
115.66357	0.5
119.03476	0.7
160.71684	0.4
168.06049	0.5
169.57439	0.5
387.20389	1.8
429.21567	0.5
489.30402	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	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75162	0.5
57.03440	0.8
59.01386	100.0
60.01727	0.5
60.99337	0.6
61.98861	0.5
67.01884	0.4
67.09124	0.4
69.03461	0.5
69.16721	1.8
69.17140	2.4
71.01387	4.7
73.02969	2.5
75.00876	0.8
76.29990	0.4
79.95747	4.4
80.96522	1.4
83.01406	1.2
85.02955	2.7
87.00903	0.6
88.98814	2.7
89.02465	2.6
93.03466	0.8
95.01418	1.0
95.95248	6.5
96.96022	62.7
98.08625	0.4
99.00924	0.4
99.04519	0.9
101.02456	6.8
101.34711	0.4
110.97617	0.4
111.00805	0.4
113.02465	8.0
119.03526	2.2
121.02925	0.9
122.03720	1.1
122.36974	0.4
122.97621	2.0
125.02414	0.8
131.03520	1.7
135.04527	0.5
138.80392	0.5
143.03511	1.3
149.04578	1.9
150.03236	1.2
153.01944	6.0
153.05577	2.0
161.02434	0.6
161.04533	4.2
165.01982	0.9
168.04308	8.7
177.01901	0.8
179.05643	0.6
183.06638	11.6
191.05618	2.1
192.04208	0.5
195.06548	0.6
220.91304	0.4
221.06691	1.5
225.07684	0.5
288.03217	1.0
299.67377	0.4
305.03360	4.5
315.40985	0.4
337.67548	0.4
429.21021	0.6
489.10779	13.8
489.17700	0.9
490.11203	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	489.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03446	1.2
58.00588	0.5
59.01387	17.5
60.32201	0.3
69.03465	0.7
69.94527	1.5
71.01015	0.6
71.01391	10.5
72.99303	0.8
73.02950	2.0
83.01383	1.2
83.05033	0.7
85.02966	5.0
87.00891	0.6
89.02460	5.8
93.03472	1.6
95.01390	1.1
95.05034	0.4
96.95983	0.5
97.06615	1.8
99.00911	0.5
101.02450	5.3
112.05363	0.4
113.02477	2.7
119.03512	1.6
121.10221	0.7
125.09750	1.5
127.11304	2.1
128.30354	0.3
129.01955	0.4
130.39714	0.3
133.17017	0.3
134.03717	0.4
135.04559	0.3
155.10799	5.2
155.14404	0.7
159.04553	0.3
161.02463	0.6
165.12878	1.6
167.14467	0.8
171.10291	10.1
172.10576	0.6
173.04587	2.1
177.12859	0.4
179.14610	0.3
183.13965	1.5
185.11815	0.9
191.05588	2.1
193.12306	0.6
197.11861	0.9
209.11800	2.0
211.13409	11.3
212.13721	0.5
213.14940	0.4
221.11877	0.8
223.13516	0.4
227.12921	0.6
229.14456	28.9
230.14766	1.3
239.12891	0.6
247.20712	0.9
273.18723	0.6
274.63916	0.4
285.04083	0.6
291.19669	7.3
292.20038	0.6
309.20749	5.0
310.21072	0.6
311.22321	1.9
315.12460	0.5
327.21780	7.2
328.22162	0.7
391.19781	3.3
427.85974	0.4
471.25940	0.8
489.27109	100.0
490.27386	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	489.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49260	0.7
59.01386	100.0
60.01736	1.0
62.50045	0.7
75.82873	0.6
78.95914	1.1
82.04465	0.7
99.30138	0.7
147.48093	0.6
266.47330	0.7
355.32413	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	491.0836
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
57.03444	0.5
59.01391	6.5
61.98847	2.9
63.02413	1.4
65.00320	0.5
68.99811	0.4
69.15031	0.6
69.15438	4.4
73.02974	0.9
83.01394	1.4
85.02981	0.9
87.00844	0.4
89.02441	0.7
93.03462	1.5
94.41914	0.4
96.96033	0.8
98.19857	0.9
101.02451	0.8
107.01418	2.3
109.03008	0.5
113.02453	0.5
117.29472	0.4
133.02985	4.4
134.03738	1.1
137.02484	0.6
149.02470	1.9
151.00372	4.7
175.04039	2.0
179.03447	0.6
187.04091	0.5
191.05614	1.4
199.04076	2.3
200.04773	0.6
201.01976	0.9
211.04042	1.2
212.04913	0.7
213.05573	0.7
227.03528	2.0
228.04254	0.6
239.03662	1.1
241.05171	1.0
255.03030	1.3
256.03784	4.5
257.04422	0.5
281.06647	0.7
283.02478	1.1
284.03284	61.5
285.04065	87.4
286.04468	4.8
297.04202	0.7
299.05780	0.6
311.02063	0.6
327.05319	0.5
328.02258	0.8
329.03036	2.8
329.06598	0.9
330.02893	0.5
369.25739	0.5
401.05945	0.5
447.09134	3.2
491.08350	100.0
492.08682	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	491.0838
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
58.19780	0.4
59.01387	23.1
60.01719	2.0
60.01976	0.4
61.01813	1.2
65.00333	1.1
71.01382	1.0
71.31065	0.5
73.02939	0.5
83.01404	0.7
85.02946	0.6
89.02467	0.7
91.82794	0.6
93.72300	0.4
96.96029	0.9
101.02434	1.0
107.01424	2.1
113.02449	0.6
133.02966	9.4
134.03329	0.4
135.04494	0.5
149.02481	1.5
151.00388	7.3
161.04547	0.5
171.04494	0.5
173.04568	0.5
175.04010	3.0
191.05623	1.6
193.05157	0.6
197.05991	0.5
199.04018	2.9
201.01936	1.3
213.05504	0.7
215.03583	0.6
217.05096	1.7
221.15433	0.3
223.04062	0.5
227.03513	0.5
241.05037	1.4
243.03053	1.0
256.03796	9.2
257.04395	0.9
272.03387	0.7
284.03302	16.0
285.04068	100.0
286.04480	5.2
328.02295	3.4
329.03098	3.3
427.09888	0.4
431.22092	0.4
491.08365	81.6
492.08725	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	491.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60922	0.4
59.01382	1.6
60.99293	0.4
63.02406	0.9
64.13470	0.4
65.00346	1.4
67.01912	0.8
67.12250	0.4
69.26024	3.8
72.35776	0.4
83.01414	0.9
86.09544	0.4
87.00889	1.1
93.03461	6.8
94.03770	0.5
100.48965	0.4
104.02660	0.5
105.03489	0.8
107.01386	2.1
107.49466	0.5
111.04516	0.7
116.53355	0.4
117.03603	0.4
117.40945	0.4
118.51796	0.4
121.02967	0.5
125.02426	0.8
132.02190	0.9
133.02956	10.2
134.03780	0.9
135.04536	1.0
143.05148	0.4
145.02943	0.7
148.01744	0.4
149.02444	1.0
151.00365	4.6
159.04486	0.7
161.02481	0.5
169.01447	0.4
171.04488	0.7
173.04559	4.7
175.04005	0.8
177.01953	2.8
182.03755	0.5
183.04526	2.1
185.02502	0.8
187.04008	0.6
191.05658	1.1
192.04306	26.6
193.04706	0.9
199.03992	1.4
202.79054	0.5
207.06638	16.5
208.06917	0.6
211.04001	1.0
227.03505	3.2
255.03011	87.6
256.03741	29.3
257.04102	1.3
283.02505	100.0
284.03256	65.6
285.04007	14.4
286.04553	0.5
299.05618	1.7
317.13956	0.8
416.05203	0.5
431.07797	0.6
491.10376	2.3
491.19553	2.2
491.26019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87043	0.3
63.02424	1.4
65.00356	1.0
70.09916	0.9
70.10321	0.5
83.01398	0.4
93.03486	1.6
104.02694	0.4
105.03492	0.5
107.01428	1.6
117.03489	0.4
120.02166	0.4
125.02443	0.4
132.02232	0.7
133.02986	4.7
143.05034	0.6
149.02457	0.7
151.00395	4.0
155.05046	1.0
159.04535	0.8
167.05002	0.4
173.04527	0.9
174.19394	0.4
175.31306	0.3
177.02002	2.0
180.70004	0.4
182.03716	0.6
183.04546	2.0
185.02422	0.6
185.08313	0.4
187.04065	0.6
192.04306	18.8
193.04791	1.2
193.65279	0.4
199.04004	1.2
207.06645	11.5
211.03984	1.0
227.03546	1.9
228.04123	0.4
255.03008	100.0
256.03680	22.0
257.04193	1.1
283.02499	99.0
284.03229	45.8
285.03925	4.8
286.04456	0.5
459.07080	1.1
459.44608	0.4
491.09564	1.8
491.19525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24583	1.0
57.01761	1.0
59.01113	1.8
59.01386	25.5
60.01709	1.2
61.98833	1.9
63.02422	1.3
71.01388	5.4
71.01914	2.0
71.12201	1.1
72.99348	1.7
73.02945	1.6
79.95750	1.3
85.02955	2.5
89.02454	3.3
93.03483	2.1
95.50822	1.1
96.96027	2.2
101.02444	2.9
107.01402	1.2
113.02440	1.5
119.05041	1.8
120.72171	1.0
133.02991	2.7
135.04495	2.6
145.37370	1.0
151.00395	1.5
161.02417	1.2
163.03992	1.3
169.00069	1.4
173.04517	3.2
179.03357	1.1
179.74780	1.1
181.06612	1.4
183.04562	1.4
184.02533	1.8
185.02943	1.4
189.79428	1.1
191.05652	5.8
224.04836	2.1
239.03455	1.8
267.02872	2.3
268.03760	24.8
268.11121	1.9
269.04575	100.0
270.04868	4.5
282.57834	1.2
284.03235	1.8
285.04019	3.9
334.14893	1.0
363.05249	1.1
431.09885	30.2
431.22168	1.6
432.10352	2.5
491.08273	3.8
491.24243	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	491.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69490	0.6
59.01379	1.2
63.45732	0.6
63.96246	34.9
71.08266	1.2
72.99314	24.3
73.98320	9.2
74.99105	2.2
80.96549	1.0
91.99400	0.9
96.95958	0.8
117.97322	22.1
121.02962	2.1
135.98375	100.0
136.98953	0.7
140.16280	0.7
284.62094	0.7
359.53683	0.7
491.12274	1.2
513.24158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69375	3.3
59.01388	100.0
60.49171	3.8
69.16380	19.3
69.16806	13.5
71.01399	20.0
71.01730	3.2
72.56788	3.0
73.02966	19.7
83.01380	5.2
85.02953	4.1
89.02458	7.4
93.03435	3.4
96.96043	7.1
101.02478	22.4
113.02468	9.0
137.09741	6.6
161.02495	3.3
161.04544	5.7
173.04565	4.3
179.03616	3.9
191.05634	13.3
285.04172	5.4
360.68936	3.5
423.15240	3.1
507.01453	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	491.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
60.99308	2.3
61.98837	0.8
67.01893	5.3
69.03461	1.9
69.19724	6.4
71.01389	4.1
78.95924	2.5
81.03463	1.6
83.05025	1.0
85.02957	3.5
87.00887	5.7
93.03471	39.7
94.03801	1.1
98.19810	1.2
107.74162	0.7
108.02184	3.2
109.02975	1.1
111.04546	4.3
113.02406	0.9
114.48797	0.8
121.02967	2.2
122.03764	1.1
124.01673	6.9
125.02456	4.5
126.03240	2.9
127.04018	1.7
128.57310	0.7
129.01942	1.2
133.02980	3.9
134.03760	18.5
135.04544	100.0
136.04967	2.4
137.02481	2.3
139.04077	0.9
150.03255	3.9
151.04031	17.0
160.01718	1.7
161.02499	2.6
162.03244	0.9
163.03984	1.1
173.04573	13.9
177.02003	0.9
178.02818	0.9
179.03513	23.2
180.04247	3.3
191.05632	32.8
192.05984	0.8
195.13889	0.9
277.21777	1.6
289.07315	1.0
290.08051	2.8
295.22763	7.5
299.12811	6.1
300.13202	0.8
306.07516	1.2
307.08218	7.0
308.09036	25.5
309.09296	1.9
317.13904	1.6
351.07117	1.3
352.08051	15.0
353.08307	1.3
429.04114	0.8
491.19150	3.8
491.25928	1.4
492.27286	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	491.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.4
59.01375	3.2
60.99318	4.5
64.09853	0.8
67.01897	14.4
69.03464	4.9
70.99499	1.3
71.01378	4.9
81.03462	3.3
83.05034	2.2
85.02959	2.5
87.00346	1.0
87.00884	20.7
93.03468	100.0
94.03805	2.6
99.00902	1.2
99.04518	2.2
108.02200	0.8
109.02938	1.4
111.04520	13.3
116.20830	0.7
119.44565	0.7
121.02951	1.3
122.03711	1.0
123.52802	0.7
124.01700	3.7
125.02453	2.3
127.04155	0.9
129.01971	2.2
133.02974	2.0
134.03755	18.3
135.04543	43.0
136.04814	1.6
137.02492	1.7
143.03511	1.3
145.03012	0.9
150.03252	3.0
151.04048	7.7
155.03508	3.2
161.02448	2.4
162.03239	8.5
171.10300	1.2
173.04562	63.6
174.04900	1.5
177.01985	1.3
177.05632	0.7
179.03508	9.7
191.05630	14.7
219.66209	0.8
299.12894	2.4
307.08167	2.9
308.09039	13.8
317.13931	4.5
351.07278	2.3
352.08044	7.5
373.06992	0.7
377.78091	0.7
491.19336	37.4
491.26309	3.5
492.19592	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	491.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17516	0.9
57.03441	1.6
59.01381	8.8
60.99320	5.3
64.63007	0.9
67.01900	14.1
69.03465	4.3
71.01385	5.9
73.02952	0.9
78.95898	6.9
81.03475	3.1
82.03846	1.0
83.05026	2.9
85.02956	6.7
87.00886	19.7
93.03469	100.0
94.03814	2.4
96.95989	0.9
98.20729	1.4
99.00923	2.2
99.04566	1.9
102.24702	0.8
109.02986	1.4
111.04537	16.7
113.02404	1.0
125.02472	1.4
127.04028	1.9
129.01968	2.7
132.02177	2.3
133.02913	1.8
134.03752	19.9
135.04543	17.9
136.04852	3.0
137.02438	1.7
137.05078	1.0
151.04042	1.9
152.99635	0.9
155.03540	2.2
160.01646	5.9
161.02464	4.0
162.03223	5.8
170.94337	0.9
171.00670	2.1
171.10289	1.4
171.92427	1.0
173.04564	67.8
174.04947	2.7
175.01079	1.1
179.03502	3.6
180.04095	1.2
191.05630	57.8
192.05972	2.3
195.13919	1.6
195.21906	1.1
209.11778	1.3
273.14825	2.1
284.03174	1.0
295.22778	13.3
299.12848	4.0
308.09167	2.6
317.13962	15.0
318.14346	1.7
324.89847	0.9
351.07452	1.9
491.19406	42.1
491.26270	5.4
492.19745	4.6
492.27487	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	491.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	7.1
58.99613	4.3
59.01385	100.0
61.98843	19.2
69.32813	24.2
69.33244	6.6
71.01384	50.0
72.99322	4.0
73.02956	24.2
74.99097	3.8
83.01396	7.2
85.02952	14.7
87.00879	8.0
89.02451	17.0
93.03475	21.5
96.96012	37.3
98.95602	16.9
99.00875	5.1
101.02455	37.9
102.98605	22.8
113.02470	18.5
115.07746	3.9
116.92889	4.2
119.03516	10.0
120.01238	11.1
131.03542	4.1
135.04526	5.7
137.02434	8.9
143.03468	4.8
146.08218	5.5
149.09698	13.6
151.00357	4.2
153.01909	7.1
161.04561	15.7
164.03529	6.3
166.05116	3.8
167.10802	27.0
173.04549	6.1
177.01935	7.0
183.06561	4.9
191.05652	27.0
210.03992	5.7
225.14835	4.5
247.78281	3.9
249.06148	4.1
277.12354	5.3
283.04965	19.6
284.03397	5.4
285.04007	16.7
285.11316	3.7
311.10190	10.3
329.06558	7.1
329.16074	5.1
446.62918	4.1
491.08853	14.5
491.16660	28.7
491.22772	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	491.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	7.1
58.99613	4.3
59.01385	100.0
61.98843	19.2
69.32813	24.2
69.33244	6.6
71.01384	50.0
72.99322	4.0
73.02956	24.2
74.99097	3.8
83.01396	7.2
85.02952	14.7
87.00879	8.0
89.02451	17.0
93.03475	21.5
96.96012	37.3
98.95602	16.9
99.00875	5.1
101.02455	37.9
102.98605	22.8
113.02470	18.5
115.07746	3.9
116.92889	4.2
119.03516	10.0
120.01238	11.1
131.03542	4.1
135.04526	5.7
137.02434	8.9
143.03468	4.8
146.08218	5.5
149.09698	13.6
151.00357	4.2
153.01909	7.1
161.04561	15.7
164.03529	6.3
166.05116	3.8
167.10802	27.0
173.04549	6.1
177.01935	7.0
183.06561	4.9
191.05652	27.0
210.03992	5.7
225.14835	4.5
247.78281	3.9
249.06148	4.1
277.12354	5.3
283.04965	19.6
284.03397	5.4
285.04007	16.7
285.11316	3.7
311.10190	10.3
329.06558	7.1
329.16074	5.1
446.62918	4.1
491.08853	14.5
491.16660	28.7
491.22772	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	491.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84455	8.4
56.28127	8.0
59.01379	31.6
69.87769	14.4
69.88173	34.8
76.69413	7.2
96.96009	15.8
98.20548	16.1
115.20673	8.0
116.07173	67.7
121.02964	11.6
128.03549	100.0
152.91640	9.5
162.28400	7.9
167.03497	9.9
191.05641	23.6
194.87466	8.0
245.11427	79.3
302.02753	9.0
325.59979	8.6
337.66400	7.9
341.10718	17.0
468.02573	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	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01743	0.4
57.03445	0.9
59.01385	100.0
60.01706	0.8
61.98841	0.6
71.01391	12.0
73.02953	14.7
73.59814	0.5
75.00887	0.6
83.01392	4.7
85.02969	3.4
87.00891	1.5
89.02453	4.5
91.32123	0.6
92.79755	0.5
93.03481	2.3
95.01398	0.7
96.96052	1.7
97.02933	0.6
98.19879	1.2
99.04581	0.6
101.02455	18.7
101.72706	0.5
111.04545	0.6
113.02450	7.2
119.03536	1.8
119.05092	0.5
125.02481	1.6
126.75748	0.5
131.03534	1.5
135.04567	1.3
137.02519	1.1
140.78255	0.5
143.03519	2.2
149.04585	3.7
153.09213	5.7
155.03624	0.7
155.10776	0.8
161.02475	1.6
161.04535	5.1
167.03516	0.8
173.04529	2.7
176.04039	1.0
179.03564	0.7
180.88306	0.6
191.05615	9.0
203.05714	0.8
206.48801	0.6
209.15437	3.8
221.06781	1.5
227.16542	1.2
229.10329	0.7
285.04126	0.5
291.30728	0.5
299.05634	0.7
314.64484	0.5
322.12759	0.7
343.93155	0.6
371.20685	4.1
389.22134	1.9
431.22748	8.4
432.22870	0.7
491.29074	1.7
509.58954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03452	2.6
58.00586	2.1
59.01387	100.0
69.03437	2.1
71.01391	41.8
71.54565	1.8
72.99303	3.4
73.02955	15.0
75.00945	1.4
83.01397	4.7
85.02968	19.5
87.00886	5.4
89.02454	13.1
91.04004	3.2
91.91724	1.6
93.03470	10.5
95.01394	3.6
96.96026	4.5
97.02982	3.0
101.02443	19.0
111.08157	1.5
113.02464	23.3
119.03507	7.0
124.01668	1.9
125.02452	3.0
127.04038	2.0
129.01965	3.1
129.09306	1.7
133.03015	1.9
135.04500	3.5
137.02452	4.7
143.03485	3.8
161.02480	3.3
161.04613	4.9
173.04573	7.5
176.04041	1.9
191.05629	31.6
192.05965	4.4
193.06163	3.8
195.13913	24.1
205.03485	1.6
209.15479	3.2
213.14961	7.2
237.14986	5.0
285.03949	2.8
329.23300	5.7
350.00449	1.7
357.19214	40.7
358.19623	3.0
375.20197	11.5
399.20233	15.9
417.21262	17.8
491.28662	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21760	0.7
55.96008	0.6
56.49095	0.6
59.01384	100.0
60.01728	1.0
61.03094	0.7
69.26845	0.7
71.01393	9.4
71.55326	0.8
73.02952	12.8
73.03312	1.0
83.00995	0.7
83.01378	4.0
85.02968	1.0
85.04537	0.6
85.31083	0.7
87.46777	0.7
89.02469	3.1
93.03488	1.6
96.33302	0.7
96.96067	1.7
101.02454	15.3
111.08131	0.8
113.02447	4.5
119.03524	2.4
120.99718	1.5
125.02477	0.7
131.03516	1.6
134.03760	0.8
135.04564	1.3
143.03505	1.7
145.28839	0.8
149.04544	3.9
153.09187	3.7
161.02499	2.0
161.04572	6.4
173.04590	2.4
179.03517	0.9
191.05637	5.0
193.05197	1.0
203.05594	0.9
209.15463	4.9
221.06744	1.9
257.08328	1.3
272.96680	0.7
371.20959	1.4
389.21808	1.2
431.22937	4.3
450.15973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2662
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01384	3.9
66.03478	1.2
69.21930	0.4
70.96760	0.3
71.02515	3.0
82.01723	0.9
93.03445	0.8
97.00453	0.4
98.01221	1.0
98.20736	1.0
99.01989	0.7
110.03611	1.4
111.02000	0.8
115.08786	11.3
116.05063	1.5
118.06641	3.8
119.71986	0.4
125.07221	2.7
126.05612	1.8
127.57874	0.4
131.05098	0.5
141.06726	4.9
146.06137	9.3
152.05881	0.4
152.08296	1.2
153.06699	0.9
153.09050	0.6
157.05322	0.6
163.08733	1.2
168.07806	0.9
169.13457	0.9
170.09372	2.1
173.04564	0.6
173.07227	1.2
174.05603	0.5
179.11890	3.8
191.05669	1.0
194.13014	0.7
196.14529	1.1
197.08031	0.4
197.12909	1.0
200.10789	1.4
201.21918	0.4
202.12370	1.0
209.11874	0.4
212.13963	0.4
214.15681	4.7
217.13457	1.8
218.17857	0.4
222.12343	0.6
227.11929	2.7
228.10251	2.8
240.07841	0.9
240.13425	0.5
245.12927	2.6
248.10808	0.9
262.15573	3.1
269.16327	0.8
276.10474	0.7
279.42203	0.4
293.20895	0.4
299.17584	0.8
309.10596	0.4
326.18768	5.6
344.19733	2.7
345.20184	0.6
429.77908	0.5
473.25272	0.9
491.26660	100.0
492.26923	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	491.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
59.58650	11.1
61.98791	13.7
69.24391	93.9
78.95924	18.6
98.19826	23.2
126.08118	9.4
145.68373	10.3
152.99619	11.9
181.12358	20.5
191.05466	12.3
199.13390	12.8
277.21725	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	491.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
57.03436	0.8
58.00579	0.9
59.01384	34.4
61.98835	3.2
63.40686	0.5
66.53030	0.5
69.17234	1.5
69.17634	3.6
71.01386	16.2
71.05024	0.6
72.99311	1.6
73.02956	2.7
74.20304	0.5
83.01386	1.8
83.05017	0.7
85.02957	8.6
85.06622	0.4
86.00087	0.4
87.00884	2.7
89.02449	8.6
93.03466	6.5
95.01414	1.1
96.96022	1.1
98.20707	0.7
99.00893	0.7
99.04535	0.5
99.08172	1.0
101.02450	8.0
109.02948	0.5
111.04525	1.4
113.02471	4.9
119.03535	2.4
127.03957	0.9
133.02971	1.6
134.03741	2.2
135.04518	2.0
137.02432	1.3
140.10812	0.8
142.49841	0.5
155.03561	0.7
161.02451	3.2
163.03900	0.6
165.80600	0.5
167.14452	0.5
171.10248	1.8
171.14116	0.5
172.05188	0.5
173.04575	7.2
173.05960	0.7
176.04073	1.2
179.03455	1.2
183.13918	0.9
191.05620	31.6
192.05910	1.3
193.05145	0.7
201.05595	1.1
202.06410	0.7
211.13431	6.9
228.11986	0.5
229.12331	2.0
229.14465	3.8
233.06801	0.8
249.22070	0.6
255.13907	1.8
257.11960	0.5
271.13501	0.8
273.15015	2.2
285.04108	0.5
287.22281	0.8
293.21216	7.9
299.12854	2.1
309.13940	0.6
311.22345	4.5
316.13791	0.5
317.13806	2.4
326.38135	0.5
329.23395	7.7
330.23770	0.7
335.07761	0.8
389.54276	0.6
429.11942	2.1
431.26160	0.7
449.27374	1.1
483.52179	0.5
491.28622	100.0
492.28961	9.5
502.83783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56458	0.5
55.01873	0.9
57.03439	1.2
59.01385	8.3
61.98829	0.6
63.09121	0.4
65.52557	0.4
71.01389	6.4
71.05043	0.7
72.99287	0.4
73.02939	2.1
83.01396	0.7
83.05032	0.9
85.02957	6.9
87.00867	1.9
89.02453	1.3
89.54307	0.4
93.03474	2.9
97.06630	0.7
99.00912	0.6
99.08172	1.6
101.02468	2.6
111.04527	0.6
113.02448	1.9
115.10117	0.4
116.54981	0.5
118.45602	0.4
118.92531	0.4
125.09743	2.1
127.04062	0.8
127.11314	2.9
129.09258	0.5
129.78406	0.4
135.04491	0.6
139.11328	2.1
155.14447	0.5
161.02463	0.5
165.12846	1.2
167.14438	1.5
171.10274	7.7
173.04572	2.2
173.05899	0.5
183.14012	2.3
184.65125	0.4
185.11792	0.7
191.05632	36.8
192.05942	1.0
193.12430	0.6
197.11641	0.5
199.03958	0.5
201.14909	0.4
209.11792	2.1
211.13411	14.8
212.13652	0.5
213.15022	0.7
229.12389	2.6
229.14449	36.3
229.30121	0.5
230.14725	1.7
255.14005	0.9
257.11996	0.6
270.03860	0.5
293.21249	4.8
299.12982	3.1
311.22400	4.0
313.23880	2.0
329.23349	16.9
330.23770	1.6
362.24857	0.5
373.90396	0.5
391.19650	3.2
407.71387	0.4
449.27588	0.6
473.27515	1.0
491.28653	100.0
492.28967	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	491.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03459	0.1
58.00603	0.2
59.01383	4.8
69.03446	0.1
70.57825	0.2
71.01388	3.9
72.99299	0.2
73.02956	1.0
81.37565	0.1
83.01379	0.7
85.02965	0.9
87.00879	0.6
89.02451	3.1
91.04014	0.1
93.18114	0.1
95.01386	0.3
97.02936	0.2
97.06616	0.1
99.00890	0.3
101.02451	3.6
103.04017	0.2
111.04438	0.1
113.02451	1.5
115.04041	0.1
119.03495	0.8
125.02453	0.1
131.03462	0.1
133.05067	0.4
138.68039	0.1
143.03494	0.3
157.05083	0.2
161.04593	1.3
179.05594	0.5
226.85651	0.1
235.08253	1.4
237.22243	0.2
253.09311	12.0
254.09525	0.4
255.23309	100.0
256.23648	6.8
256.27609	0.1
321.59485	0.1
364.75092	0.1
401.57706	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	492.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43149	1.2
57.02525	1.4
59.01389	5.4
61.98838	100.0
70.28880	3.6
70.29239	2.0
71.01385	2.0
85.02953	1.4
98.19915	1.5
109.08839	1.4
117.03454	3.2
133.02959	5.2
134.03764	34.8
135.04532	15.4
137.02455	2.2
149.06068	4.4
153.55815	1.2
160.01720	2.7
161.02483	19.2
162.02740	1.3
164.34021	1.2
175.03992	4.1
179.03514	4.9
191.05603	3.3
193.05077	22.2
220.35381	1.6
235.06105	4.3
253.07246	13.7
312.22955	1.4
367.21085	1.7
429.11945	75.6
430.12326	8.3
491.28644	3.9
492.28784	7.8
519.93457	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	493.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
59.01385	4.4
61.98825	0.5
65.00333	0.5
67.01881	0.5
69.62199	2.6
73.02950	0.5
85.02955	0.8
93.03469	1.5
96.70174	0.4
96.95992	1.1
101.02422	1.1
101.76362	0.5
111.00819	0.4
115.78315	0.4
116.29752	0.4
119.05087	0.5
120.99659	1.0
121.02956	1.2
125.02431	0.8
133.02974	1.6
134.68925	0.5
135.04547	0.9
137.02411	0.8
151.00394	1.6
152.01241	0.4
161.02448	1.7
173.04579	2.7
175.04097	0.8
177.01917	1.2
191.05634	3.5
193.05125	0.5
216.90018	0.5
237.05603	0.5
241.05205	0.5
255.03018	1.0
256.03827	6.8
265.05118	2.1
267.02899	1.3
272.03305	1.5
279.02963	0.5
281.04449	2.1
283.02548	1.0
284.03311	16.5
285.04031	12.6
286.04532	0.7
293.04422	0.6
296.03177	0.8
299.02246	0.6
300.02652	0.4
307.02429	0.5
308.03384	1.1
309.04062	30.8
310.04358	2.0
325.03525	0.7
330.05429	1.0
331.06152	0.9
333.04001	0.9
334.04932	0.6
339.05124	7.3
340.05411	0.6
343.05994	0.7
347.05634	3.6
348.06412	1.6
359.05701	1.4
371.05569	0.6
373.07251	0.5
375.05283	1.1
377.06744	0.6
385.03116	0.6
386.04163	1.3
387.05466	2.0
401.06738	1.1
404.05261	1.0
405.06006	1.2
407.08203	0.5
412.17401	1.6
412.67075	0.5
414.03946	1.4
415.04703	3.7
416.05515	2.8
417.06223	4.1
429.06305	1.2
431.03372	0.8
431.08371	0.7
432.04849	11.2
433.05573	4.3
435.06927	1.0
445.09430	0.6
447.07211	13.2
448.07730	1.7
449.08829	13.6
450.08774	0.9
463.06702	7.7
463.11313	2.7
478.09186	5.3
489.27557	0.6
493.11465	100.0
494.11813	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	493.1148
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
59.01377	3.1
69.25780	2.6
69.26208	1.8
70.01558	0.4
71.01372	1.4
84.15897	0.5
85.02977	0.4
90.44844	0.4
93.03461	1.5
99.16920	0.6
101.02406	0.7
107.01420	0.6
111.00879	0.6
113.02452	0.6
121.02969	1.1
123.00883	0.4
125.02419	1.0
133.02991	1.8
135.04507	1.4
137.02399	0.5
151.00363	1.6
161.02492	1.4
173.04570	2.5
177.01915	0.9
179.03462	0.9
191.05618	3.6
229.05170	0.9
256.03751	5.2
265.05127	2.3
267.02979	1.1
272.03351	0.9
275.54401	0.6
281.04523	2.8
283.02924	0.6
284.03287	12.2
285.04089	11.1
286.04453	0.6
293.04355	0.9
299.01849	0.6
308.03299	1.0
309.04059	31.7
310.04495	1.9
330.05383	0.6
332.06210	0.8
333.04108	1.1
339.05096	6.4
343.05981	0.6
346.05069	0.6
347.05530	4.3
348.06314	1.1
359.05399	0.9
370.04636	0.7
371.05679	0.6
375.05106	1.4
377.62891	0.5
386.04462	1.3
387.04968	2.8
401.06735	0.5
403.04700	0.6
404.05380	0.9
405.06161	1.3
412.17261	1.0
414.03772	1.5
415.04684	5.2
416.05435	3.4
417.06189	4.8
429.06274	1.4
431.03802	0.9
431.99072	0.7
432.04852	12.5
433.05426	5.0
435.07224	0.9
447.07230	14.4
448.07617	1.1
449.08719	7.1
450.09048	1.0
463.06689	8.5
463.11310	2.6
464.06863	0.9
478.09036	5.6
493.11450	100.0
494.11734	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	493.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38770	0.6
57.03442	0.7
59.01383	1.8
60.84658	0.6
65.00334	1.5
70.03596	2.7
83.01388	1.6
85.03027	0.8
93.03474	1.6
102.77810	0.7
107.01427	4.0
119.05048	1.5
119.22118	0.6
125.02437	1.2
132.02129	0.9
133.02956	8.2
149.02411	3.3
151.00381	8.8
163.03996	3.0
173.04544	1.2
175.04024	2.4
183.04517	1.0
189.16116	0.8
199.04007	2.7
201.01991	1.2
209.11852	1.2
217.05063	1.9
227.03551	2.7
227.06981	1.1
229.08565	0.8
230.09660	0.8
243.03043	1.5
255.03014	42.9
256.03778	37.5
257.04202	2.5
274.64603	0.7
283.02502	62.5
284.03278	100.0
285.04041	88.3
286.04376	4.9
314.99722	2.1
316.00339	4.5
326.04227	1.4
381.09708	1.1
398.72159	0.7
413.07156	2.8
435.10806	1.1
463.10260	1.7
464.10611	0.9
475.10349	3.1
493.11224	9.0
494.11932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1145
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
56.04039	0.6
63.02431	0.7
63.15641	0.7
65.00332	1.7
69.72755	3.2
83.01418	1.0
96.95982	0.8
107.01395	3.1
120.67771	0.7
121.02985	1.1
125.02450	1.1
133.02965	11.8
149.02467	2.7
151.00380	8.4
159.04550	1.0
175.04001	4.4
183.04495	1.1
192.59845	0.7
198.03474	0.7
199.04004	3.4
215.03667	0.7
227.03539	2.1
229.04932	0.8
241.05176	1.5
248.76161	0.8
255.02997	52.9
256.03775	36.0
257.04218	2.1
283.02512	73.4
284.03262	94.4
285.04056	100.0
286.04395	5.9
326.04294	1.4
475.09915	1.4
493.11472	9.3
494.11502	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	493.1352
Annotation	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside
Peak:m/z	Relative Intensity
57.03450	1.4
59.01381	8.6
61.98827	2.0
71.01393	3.9
71.54498	1.3
72.99316	16.7
73.02952	1.5
75.00868	1.5
83.01421	0.8
85.02972	3.1
87.00900	1.0
88.37186	0.8
89.02446	2.2
90.98605	3.0
93.03472	14.3
95.01383	1.2
96.96024	2.1
96.99273	0.8
101.02457	3.9
108.02182	7.7
113.02454	3.0
119.05048	1.1
120.99619	1.1
121.02978	2.0
122.03784	1.4
123.04544	6.4
125.02521	0.9
134.03749	20.0
135.04517	1.5
136.01672	1.9
137.02461	28.5
147.04527	1.0
149.06081	5.2
150.03247	11.7
151.03972	2.8
152.01178	1.3
161.02490	1.0
165.05585	12.0
166.02776	1.0
167.03566	1.3
173.04552	2.1
178.02733	8.5
179.03471	0.9
181.05125	1.7
191.05653	4.0
192.04317	1.5
193.05063	32.0
194.05280	1.1
205.01491	1.0
211.06129	50.3
212.06497	2.0
281.06671	14.5
331.08276	1.8
373.11447	6.9
374.49396	0.9
429.90015	0.8
475.12347	1.8
493.13571	100.0
494.13940	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	493.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.0
61.98837	17.6
65.11938	1.2
69.27261	3.1
69.27670	8.1
70.41296	1.7
71.01386	14.7
73.02972	2.7
83.01410	2.0
84.79011	1.2
85.02970	5.3
87.00889	2.5
89.02454	5.8
93.02876	2.3
93.03467	36.1
95.01405	2.7
96.96006	1.6
96.99310	2.2
101.02448	12.2
108.02179	5.1
113.02458	9.7
119.03483	2.0
121.02956	3.2
134.03757	71.0
136.01674	96.5
136.07730	1.7
137.02463	79.8
138.02817	2.5
149.02542	1.7
149.06091	43.8
150.06407	1.6
151.04022	100.0
152.04337	3.2
161.04524	1.6
165.05669	1.7
166.82118	1.4
173.04585	4.1
178.02713	7.6
179.03490	3.7
180.04240	1.5
191.05597	8.7
193.05090	27.9
195.06581	2.1
211.06140	4.8
226.06313	1.5
252.47198	1.5
271.06378	1.3
281.06689	75.9
282.07132	4.2
284.03064	1.6
286.04361	1.7
287.04492	2.3
431.13568	5.6
433.11417	50.9
434.11734	4.6
475.12534	34.9
476.12769	4.5
493.13620	97.9
494.13986	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	493.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.0
59.01385	100.0
60.01750	4.7
61.98837	9.2
64.61576	3.9
69.22856	32.6
71.01389	32.3
73.02950	42.1
83.01389	12.2
85.02979	13.3
87.00916	5.0
88.98833	4.0
89.02463	12.1
93.03471	11.4
98.19937	6.4
101.02449	40.7
103.38071	4.2
109.02997	4.1
113.02441	11.6
119.91748	4.4
120.52171	3.7
125.02477	5.4
128.58771	3.7
132.04700	3.8
135.04503	8.8
137.02489	5.4
143.03531	7.1
151.00444	4.4
156.87326	3.8
161.02448	9.1
161.04454	6.6
167.03535	5.9
173.04555	17.6
179.03363	6.5
191.05644	32.0
199.59511	4.1
236.31877	4.2
239.01933	3.7
283.02466	4.7
332.06152	9.2
350.95334	3.7
412.17267	6.9
493.07693	9.0
493.30219	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	493.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15363	11.2
54.23333	10.7
55.75683	12.3
56.03981	12.3
69.39394	100.0
71.98065	11.5
84.10046	10.8
84.90916	14.2
88.27258	13.3
95.63480	11.4
96.72861	10.5
98.19939	23.4
174.44235	12.5
285.92377	12.4
323.30988	13.2
396.00800	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	494.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10789	1.2
58.22498	1.0
59.01374	3.5
59.98803	1.0
61.98835	100.0
62.06003	1.0
71.01393	1.6
71.54183	1.7
71.54556	1.3
89.02419	2.4
101.02481	2.3
111.44101	1.2
115.15551	1.1
119.03501	1.0
131.64354	1.1
152.99606	1.1
216.37410	1.2
269.18735	1.3
269.21201	6.8
431.26523	33.0
432.26718	3.0
468.73602	1.1
480.94357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
60.07325	0.8
61.98844	1.0
66.81176	0.7
70.08725	2.9
71.01378	2.3
78.95911	21.6
79.95744	4.6
90.97141	1.0
96.96014	100.0
96.96967	42.0
98.02472	1.3
108.02200	1.0
118.96691	1.5
123.04568	0.9
145.41725	0.7
168.10173	0.7
170.99582	0.8
183.19466	0.7
191.05540	1.3
210.23744	0.8
301.10809	1.0
333.08707	1.6
389.70526	0.7
397.17374	0.9
435.12027	4.9
495.14151	4.7
508.67142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68459	0.7
54.14710	0.7
59.01382	7.0
61.98816	1.2
68.42557	0.7
68.99531	1.7
68.99834	2.6
70.49123	1.2
71.01380	4.2
73.02950	1.1
80.91691	1.3
83.01389	1.0
85.02967	1.1
87.00897	0.8
87.89909	0.6
89.02454	2.9
93.03468	11.3
95.01395	1.5
96.96002	1.3
101.02457	3.5
109.02952	1.5
110.40197	0.6
112.98569	2.6
113.02478	2.0
117.03489	7.8
119.05042	51.8
120.05363	1.7
125.02483	0.8
129.59789	0.7
133.02936	1.2
135.04533	0.9
137.02455	16.8
145.02966	30.6
146.03352	0.9
149.06105	0.8
151.04048	0.9
158.03723	2.0
159.04514	4.8
161.02472	1.4
163.04021	42.8
164.04369	1.0
172.05315	17.7
173.04691	1.0
173.06070	4.9
174.03185	1.1
174.06813	0.7
175.04022	2.5
175.07668	0.8
179.03537	1.9
183.04515	4.1
185.06090	2.4
186.03294	1.5
186.06894	1.5
187.04097	10.8
187.07657	100.0
188.04671	1.0
188.08011	5.0
189.01990	1.2
189.05560	9.4
191.05650	2.9
195.13875	2.3
197.05853	0.9
199.03963	4.9
199.07764	1.6
200.04802	9.9
201.05547	5.1
201.09146	1.6
202.06404	3.3
203.07257	0.9
203.10831	0.8
204.04297	2.0
211.04027	1.9
211.07625	1.5
213.05588	2.8
213.09215	10.7
213.14931	0.8
214.06404	1.2
215.07130	34.6
216.07607	1.8
219.06627	4.5
227.03555	8.7
228.04271	8.2
228.07907	1.0
229.04837	1.1
229.08716	9.8
230.09155	0.9
231.06667	15.4
231.10233	12.7
232.03822	1.1
232.07082	1.0
237.07695	13.8
242.05768	0.9
243.10457	0.9
255.06604	1.1
257.08215	67.9
258.08652	3.7
263.05704	0.8
275.09222	7.7
287.09271	16.2
288.09811	0.9
305.10352	4.4
307.08240	1.4
331.11902	11.6
349.12918	8.5
350.13556	1.1
375.20242	19.7
376.20627	1.2
381.09732	1.4
451.14005	57.6
452.14313	5.3
477.15659	2.8
495.16568	43.8
495.22653	19.5
496.16943	6.8
496.23032	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	495.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88009	0.4
57.03449	0.9
59.01388	4.5
60.62803	0.5
61.98838	4.9
65.00346	0.5
67.01887	1.8
69.03453	0.8
71.01399	3.8
73.02962	1.2
81.03438	0.7
82.39003	0.4
83.01372	0.9
83.05048	0.6
85.02972	3.4
86.31793	0.5
87.00901	4.0
89.02464	1.1
93.03475	14.5
94.03806	0.5
95.01374	0.8
96.20401	0.5
96.96027	1.6
99.00881	0.6
101.02457	1.7
108.02190	25.8
109.02962	1.9
111.04539	2.7
113.02470	1.7
115.34354	0.4
119.05028	0.9
120.99650	0.8
121.02943	0.5
123.00915	0.6
123.04545	10.6
124.01623	0.6
125.02463	1.4
127.04072	0.8
129.02034	0.6
133.02974	4.2
134.03815	1.2
135.04564	4.7
137.02454	3.0
145.03032	0.7
149.02477	0.5
151.00368	1.4
151.04039	1.0
151.55760	0.5
152.01173	50.3
153.01955	1.3
155.03494	1.5
161.02473	8.0
163.04001	0.5
167.03517	100.0
168.03859	3.2
173.04559	12.9
174.04922	0.7
176.03989	1.3
177.01837	0.6
179.03586	2.9
191.05637	26.4
192.06007	1.2
193.05019	0.9
197.11902	0.8
221.09534	0.5
225.94673	0.4
236.05086	1.9
255.02977	2.6
256.03745	0.9
268.59631	0.5
271.06207	0.8
283.02548	1.4
284.03320	4.0
285.04050	13.1
286.04453	1.5
297.03848	0.5
310.05865	0.7
311.07779	1.1
317.07819	0.8
332.06345	0.9
332.56277	2.2
333.06830	0.6
363.07306	0.6
375.27664	0.8
392.08234	0.9
392.58493	1.0
413.68237	1.1
414.18933	1.1
414.69376	0.8
431.07840	3.5
432.08371	0.8
447.09448	4.6
448.09503	0.8
495.18845	0.8
499.12799	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01385	13.7
61.98819	1.5
63.09573	0.5
68.99515	4.4
68.99850	2.3
69.03453	1.0
71.01389	9.0
71.54417	0.7
73.02947	1.2
80.91694	2.3
82.92461	0.5
83.01404	1.1
85.02953	3.3
87.00888	1.1
88.24035	0.6
89.02449	5.8
93.02868	1.1
93.03468	21.8
94.03799	0.9
95.01409	1.2
96.96036	0.7
100.47877	0.5
101.02460	6.4
107.01396	0.7
107.05048	0.7
108.02168	1.0
109.02987	1.0
112.98576	5.4
113.02470	3.1
117.03480	7.9
119.03575	2.4
119.05039	52.9
120.05369	1.5
120.74410	0.5
121.02970	1.4
123.04530	0.8
125.02480	0.9
130.04227	0.8
133.02991	1.2
135.04535	2.1
136.01651	2.3
137.02460	33.4
138.02814	0.8
143.04970	0.8
145.02969	30.5
145.06612	0.8
146.03392	1.0
147.04503	0.9
149.06079	1.1
151.00374	1.1
158.03726	1.7
159.04520	5.2
161.02437	1.3
161.06119	0.6
163.04027	42.7
164.04381	1.4
171.04593	1.1
172.05312	17.2
173.04510	1.3
173.06046	5.1
174.03313	1.1
175.03990	2.1
175.07608	0.7
179.03548	5.2
183.04536	4.3
183.13933	0.9
184.05359	0.5
185.06093	2.9
186.03238	1.0
186.06857	2.0
187.04112	8.8
187.07660	100.0
188.04558	0.9
188.08018	4.7
189.01978	1.9
189.05582	10.8
191.05627	3.9
195.13950	5.6
197.06062	0.7
198.06947	1.0
199.04025	6.1
200.04791	8.9
201.05565	6.0
201.09238	1.3
202.06355	3.4
203.03629	0.7
203.07152	1.7
203.10818	0.7
204.02638	0.5
204.04240	3.1
211.03993	1.5
211.07617	1.9
213.05580	2.4
213.09247	10.5
213.14922	3.2
214.06404	1.1
215.02005	0.9
215.07130	34.8
216.07579	2.0
219.06596	4.6
227.03517	8.4
227.07045	1.2
228.04301	8.2
228.07889	1.3
229.04846	0.6
229.08705	9.8
230.09198	1.1
231.06664	15.4
231.10233	11.3
232.03812	1.9
232.07166	1.1
232.10535	0.8
237.07689	12.1
238.08038	1.0
239.05458	1.3
239.07491	1.0
255.06541	1.0
257.08212	67.5
258.06161	0.7
258.08511	4.3
263.05545	1.2
275.09253	6.3
287.09253	14.3
305.10300	4.4
307.08344	1.2
331.11850	12.0
332.12238	0.8
337.07065	0.6
349.12933	9.8
350.13287	0.8
357.19159	2.1
375.20236	38.1
376.20825	2.7
381.09796	3.4
451.14011	54.0
452.14294	6.1
477.15521	3.2
477.21582	1.0
495.16504	34.5
495.22556	40.3
496.16977	4.5
496.22708	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	495.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78440	0.7
57.03453	4.4
58.00599	3.7
59.01385	57.7
61.98832	1.3
69.03483	0.9
71.01389	50.9
72.99305	3.0
73.02951	13.6
83.01402	6.2
85.02962	22.4
87.00883	4.7
87.04513	7.6
87.82100	0.9
89.02452	24.3
89.62566	1.0
93.03478	5.2
95.01403	4.0
96.96014	1.7
99.00876	4.7
101.02451	43.6
102.02802	1.2
108.91352	0.9
109.02951	1.2
111.00898	1.5
113.02463	22.3
119.03503	12.1
120.99670	1.1
123.04507	1.1
123.41097	1.0
123.57745	0.9
125.02419	1.5
128.03566	1.3
129.01927	1.2
133.02962	1.8
135.04549	2.3
137.02478	1.8
143.03526	2.6
148.15324	1.0
151.00412	0.9
152.01169	1.9
159.02983	2.9
161.02438	3.5
161.04556	11.6
163.03970	1.2
167.03448	3.0
173.04562	5.7
177.01878	1.0
179.03488	1.0
179.05627	3.6
185.09628	2.0
185.29361	0.9
191.05611	10.3
271.16992	3.0
285.03912	3.1
289.18109	83.4
290.18433	5.8
311.04614	1.4
315.38806	0.9
414.18768	1.9
451.23199	5.8
495.11945	7.3
495.22348	100.0
496.22565	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	496.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53976	0.9
78.95911	62.0
79.17413	0.4
96.96970	5.9
150.98016	1.6
152.99597	100.0
153.99962	1.3
171.00661	1.8
240.40581	0.6
255.23389	3.0
283.31006	0.5
409.23611	42.2
410.24094	3.2
417.74640	0.6
463.07291	0.6
482.47708	0.6
496.26978	5.5
497.27234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23602	0.2
57.01928	0.2
59.01382	0.5
69.45383	1.5
70.51459	0.3
70.59776	0.2
73.68639	0.2
79.95753	3.2
93.03482	0.3
96.96023	100.0
97.95941	0.3
98.20626	0.5
119.05091	0.5
135.04535	0.4
161.02394	0.3
163.04041	0.3
173.04483	0.4
185.18987	0.2
191.05605	1.2
325.14670	0.4
399.10950	0.9
469.04523	0.2
497.07318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
71.01384	0.7
71.54052	0.4
78.95915	2.2
79.95744	3.4
85.02984	0.7
90.24615	0.3
93.03478	1.2
94.98862	0.3
96.96022	100.0
96.96907	3.8
97.95974	0.3
99.18768	0.3
101.02406	0.4
103.31113	0.3
111.04489	0.4
119.05033	0.4
128.03612	0.4
137.02461	0.4
145.02982	1.3
146.03740	0.4
149.02438	0.4
150.03241	1.6
151.04079	0.7
152.01163	0.4
161.02498	0.3
163.04066	0.5
165.05566	1.1
165.40546	0.3
167.03525	0.7
173.04539	1.2
179.03575	0.4
179.07077	0.3
181.05045	0.4
181.09770	0.4
191.05620	6.6
193.05173	0.4
195.06665	0.4
201.11391	0.4
299.05679	2.1
300.06122	0.4
335.07837	0.4
351.06015	0.7
399.12921	1.3
437.07449	0.6
461.11057	0.6
483.99628	0.4
497.15555	0.8
497.22440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.9
68.99581	83.2
69.99919	0.7
71.01391	1.5
73.02942	1.4
78.95910	1.0
85.02946	0.8
87.00887	0.6
93.03487	1.3
96.96008	4.0
97.02981	0.4
101.02470	0.8
105.11790	0.4
105.20789	0.4
112.98581	100.0
113.98916	0.8
117.16364	0.5
119.05029	0.7
135.04578	0.7
152.99574	1.1
156.05052	0.5
163.04030	0.5
173.04555	2.9
179.61942	0.4
191.05600	3.7
192.06001	0.8
283.08023	0.5
305.14355	0.5
335.07407	0.5
347.32178	0.5
383.11523	0.8
449.25217	0.7
456.46359	0.5
497.06393	1.3
514.24335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.3
61.98823	1.9
71.01398	3.7
71.54856	1.4
73.02958	2.0
78.95914	3.3
79.95740	2.5
85.02949	1.5
87.00860	1.1
93.03475	3.5
96.96021	100.0
96.96912	4.7
97.93108	1.2
101.02470	2.0
105.46416	0.8
109.60955	0.7
113.02467	1.0
114.93437	4.5
128.60510	0.8
135.04533	1.8
139.46349	0.8
145.78854	0.7
152.99538	1.0
161.04434	0.8
173.04561	4.1
173.05870	0.7
191.05652	9.8
192.06143	0.9
215.07220	0.9
217.00276	0.9
241.00272	1.2
253.12296	0.8
325.14084	1.6
404.99463	0.8
411.13266	2.7
497.08514	1.1
497.18094	2.8
497.27319	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	497.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.7
57.03449	3.8
58.00592	2.7
59.01387	65.4
60.90926	1.1
66.27587	1.1
71.01392	73.9
71.05035	1.4
72.99303	4.0
73.02961	17.2
75.00882	1.1
78.82495	0.9
79.95753	2.2
80.96523	1.7
82.81000	1.0
83.01395	9.1
85.02962	28.3
87.00898	5.3
89.02454	36.6
93.03474	6.9
95.01406	6.2
95.95248	1.6
96.96020	20.7
97.02959	1.5
99.00888	5.8
101.02455	54.1
102.05629	1.7
109.02977	8.3
111.04562	1.4
112.28796	1.0
113.02467	34.4
119.03506	15.5
125.02467	3.9
128.03513	1.3
129.01958	1.6
131.03456	1.4
133.02977	2.0
135.04547	2.3
137.02417	2.0
143.03519	5.5
146.04607	1.3
153.01953	8.8
155.03491	1.1
159.02992	4.4
161.02438	3.9
161.04576	24.6
169.01416	3.5
173.04561	9.5
177.01915	1.3
179.03542	1.1
179.05641	4.3
191.05617	11.4
192.04378	1.3
192.06003	1.2
193.04982	1.6
207.10310	1.6
213.67625	1.2
224.41170	1.0
231.17513	3.9
284.03329	1.5
288.02890	1.5
288.06735	0.9
291.19693	10.4
299.05643	1.7
323.12735	1.5
335.07535	2.3
407.71973	1.1
453.24979	16.4
454.24951	1.9
497.07864	9.4
497.24005	100.0
498.08044	1.5
498.24173	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	497.2761
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01863	1.1
57.03446	1.0
58.00588	2.1
59.01383	87.8
61.98821	0.9
65.07065	0.7
65.11598	0.9
69.03469	1.6
70.82157	1.9
71.01389	50.0
71.58096	0.9
72.01714	1.4
72.99316	2.6
73.02951	54.3
78.95904	1.0
81.03454	1.7
83.01394	18.0
85.02958	7.4
87.00887	2.5
89.02454	10.6
91.39872	0.9
93.03473	2.0
95.01362	1.2
96.36276	0.8
96.96029	1.0
97.02986	0.9
99.00900	1.0
101.02449	45.4
108.62815	0.9
113.02470	12.1
115.30508	0.8
119.03506	3.6
125.02457	2.1
131.03513	3.3
133.02989	1.1
143.03499	2.0
149.04559	3.2
151.11295	1.0
155.03424	1.3
161.04544	6.1
169.12363	1.0
173.04568	1.1
183.86398	1.2
191.05603	5.1
196.18739	0.9
205.17484	0.8
213.11169	1.2
223.17027	2.3
275.20160	33.2
276.20566	1.7
277.21741	2.4
293.21149	5.9
306.02643	1.0
358.41479	0.8
400.10532	1.2
437.25372	8.9
438.26102	1.1
455.26489	19.4
456.26840	1.6
466.02939	1.0
497.27588	100.0
498.27814	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	499.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.76722	0.5
59.01394	2.6
71.01383	1.9
71.54319	0.7
79.95745	9.3
80.76032	0.5
80.96521	2.2
85.02951	1.1
93.03458	2.2
94.98100	0.7
95.95232	7.4
96.96021	100.0
101.02429	0.6
102.05634	1.3
105.03476	2.1
115.95103	0.5
121.02940	0.7
122.97600	29.2
123.04528	0.7
124.28385	0.6
125.09742	0.6
128.03572	0.8
133.02965	2.0
135.04535	0.9
143.01414	0.6
151.04030	9.2
155.03505	0.6
161.02457	29.8
162.02847	1.2
163.04002	0.8
173.04552	1.7
176.04791	20.9
179.03514	52.8
180.03864	2.6
187.09830	0.7
191.05592	4.3
191.07185	7.5
193.05017	1.1
194.05859	54.2
195.06247	2.7
207.10162	1.0
209.08206	60.5
210.08514	2.2
221.59109	0.6
239.56319	0.6
255.03011	2.0
260.40936	0.6
269.04465	0.6
283.02444	1.3
284.03296	6.7
285.03629	0.7
289.03912	44.4
290.04230	1.9
297.04074	2.7
298.04852	2.1
299.05634	8.4
300.06155	0.8
301.06387	1.0
354.07755	0.6
384.87900	0.7
461.10913	5.7
463.11993	0.7
499.12668	12.1
499.28284	1.0
500.13306	1.7
500.28705	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	499.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61575	0.6
57.03456	21.2
58.03801	0.6
59.01382	2.0
69.63961	3.6
71.01389	1.2
78.95922	0.6
79.95741	2.3
80.80009	0.6
81.03463	0.6
83.26799	0.6
93.03473	1.4
96.96021	19.5
98.19927	1.2
98.95609	4.5
99.04533	15.0
101.02466	5.9
110.98501	0.7
115.91338	0.6
121.02969	1.1
125.02457	12.7
127.18489	0.6
128.03548	0.8
133.02954	0.8
134.03758	38.5
135.04137	0.9
137.02457	6.3
139.04021	1.2
143.03464	0.7
149.06099	13.6
150.03276	1.0
150.06395	0.6
173.04565	1.6
178.02734	27.3
179.03088	1.0
191.05640	5.8
193.05074	100.0
194.05394	4.6
236.88611	0.6
337.09747	1.2
355.10349	2.9
382.85120	0.6
389.44247	0.5
397.11240	1.4
458.19095	0.6
499.09180	2.0
499.15042	1.0
502.05865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.9
59.91804	1.2
65.57645	1.2
68.98167	1.0
71.01376	1.8
74.59504	1.0
76.38989	1.0
78.95914	5.1
79.95735	4.2
85.02963	1.0
87.22586	1.1
96.96021	100.0
96.96923	9.0
113.92618	1.6
114.93423	7.2
122.28713	1.2
162.64674	1.1
182.77708	1.1
229.10330	1.1
259.48376	1.2
265.12457	5.6
265.14923	1.2
282.66965	1.2
293.11838	2.9
402.34290	1.2
487.62125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.192
Annotation	Maculalactone F
Peak:m/z	Relative Intensity
59.01374	2.3
59.61139	0.8
60.67337	0.9
71.54269	1.0
71.92220	1.0
77.05727	0.9
91.12639	1.1
153.39462	0.9
249.08968	1.4
286.08917	1.0
471.19427	1.1
479.16547	11.0
481.18262	10.2
482.18460	2.0
499.19208	100.0
500.19669	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	499.1922
Annotation	Maculalactone F
Peak:m/z	Relative Intensity
59.01377	1.7
61.98810	1.2
67.06775	1.1
71.53682	1.2
88.90150	1.2
96.96053	1.3
190.43706	1.2
193.06563	3.3
207.08145	1.7
232.05374	6.1
233.06076	3.9
234.06888	8.4
235.07677	10.0
236.08389	1.8
237.09270	1.4
247.07642	10.0
248.08437	12.5
249.09261	9.4
250.09973	6.0
251.10806	5.5
262.09937	3.0
263.10773	5.1
305.11765	2.1
350.43430	1.4
363.32755	1.2
437.15582	2.0
439.17010	1.7
450.12585	2.2
451.13284	4.7
457.18063	2.3
465.15012	15.4
466.15723	8.8
467.16528	31.5
467.22888	2.4
468.17105	3.1
479.16061	1.4
481.18167	28.6
482.18567	3.8
483.16232	7.6
484.16846	47.4
485.17197	6.7
499.19205	100.0
500.19571	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	499.2918
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
53.28916	0.4
55.01872	0.7
57.03451	0.6
58.00595	1.0
59.01384	37.3
59.91488	0.5
66.37666	0.4
69.03466	1.2
69.36211	4.1
71.01389	22.2
72.99305	1.7
73.02951	16.9
79.82751	0.4
83.01402	5.5
85.02964	4.9
87.00887	3.1
89.02439	6.0
95.01398	1.2
97.02952	1.2
99.00866	0.9
101.02446	14.3
113.02460	5.9
119.03521	2.2
125.02466	1.2
131.03540	0.8
141.24066	0.4
152.99675	0.5
161.04587	0.6
162.70105	0.6
223.17004	1.1
225.15027	1.1
277.21744	10.1
278.22128	1.0
295.22763	5.7
296.23108	0.6
439.27023	9.6
440.27075	0.6
457.28104	21.6
458.28314	1.8
481.28485	0.5
499.29144	100.0
500.29532	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	499.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52689	0.4
51.28985	0.4
54.59945	0.5
55.01878	1.1
57.03439	1.5
58.00590	1.7
59.01385	48.2
69.03459	1.4
69.26530	1.3
69.26948	2.7
71.01389	28.8
72.99303	1.5
73.02953	20.4
81.03477	0.5
83.01395	7.1
85.02968	6.8
87.00887	3.0
89.02451	6.7
95.01392	2.2
97.02929	0.7
99.00886	1.5
101.02454	18.3
113.01725	0.7
113.02459	8.2
119.03498	2.6
120.34542	0.5
125.02451	1.3
127.04020	0.6
131.03532	0.9
143.03470	0.9
161.04567	1.1
191.05496	0.7
223.17032	4.4
233.84108	0.5
271.22998	0.6
277.21738	14.1
278.22021	0.7
295.22809	8.7
439.27045	14.5
440.27316	1.8
457.28110	34.5
458.28482	2.8
481.27927	0.8
499.29156	100.0
500.29459	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	499.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62622	1.0
59.01384	100.0
61.36473	1.1
71.54447	1.3
86.17148	1.3
91.03987	1.9
95.47615	1.1
180.49664	1.2
198.55032	1.1
298.70520	1.2
309.63806	1.6
365.26907	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	500.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53326	2.1
59.01385	27.8
61.98828	6.9
63.78051	2.3
66.49419	2.4
69.21707	11.8
69.22122	8.7
70.09542	2.2
71.01389	10.0
80.96529	3.0
82.03003	2.8
85.02975	7.3
87.00883	4.2
89.02457	3.5
93.03474	17.5
96.96019	29.5
101.02435	4.4
102.05626	20.4
108.02142	4.5
109.02969	2.7
111.04536	3.6
113.02442	3.2
121.02954	6.6
123.04528	2.6
128.03558	94.3
129.01898	2.3
129.03957	3.0
133.02974	5.5
134.03766	3.2
135.04524	6.1
136.04918	3.5
137.02425	6.5
145.02977	5.4
146.03470	2.7
146.04614	42.8
147.04530	6.0
148.05301	8.7
150.03229	2.6
152.01204	2.5
161.02489	13.6
161.04651	2.9
162.02991	3.7
165.05475	2.8
172.02544	26.6
173.02516	2.2
173.03020	2.6
173.04558	22.7
174.03265	6.5
176.04761	5.5
177.02087	2.6
179.03462	6.9
180.04059	2.4
191.05623	35.6
191.07185	22.7
192.05943	3.4
194.05832	4.5
195.08139	2.1
209.06125	2.4
211.07689	3.3
223.07603	4.8
236.05225	2.5
237.05667	4.6
239.07146	10.7
249.05618	6.1
251.07149	19.5
256.03290	3.1
257.08170	2.8
262.06351	2.6
263.07095	4.1
264.07834	3.5
267.06659	64.8
268.07169	5.7
277.05057	6.0
279.06650	45.5
280.07162	7.3
282.09033	42.3
283.09659	6.6
293.08084	5.1
294.08920	34.0
295.09537	4.5
297.11346	39.2
298.11719	3.0
305.04694	2.9
306.05222	5.5
308.06750	6.4
309.07584	5.9
309.11328	8.9
321.07761	8.8
322.08249	4.6
323.09192	21.0
324.09262	2.7
327.12354	15.8
335.09235	9.2
336.12732	2.8
338.07889	5.2
341.10336	12.9
352.11862	3.8
353.10336	95.4
354.10544	6.7
371.11441	4.3
380.15085	3.5
406.13058	4.3
423.13144	6.4
426.15549	4.3
438.15567	18.2
462.11298	5.8
464.13556	7.3
470.14655	29.3
471.15341	2.7
482.14667	38.1
483.15240	4.0
500.15701	100.0
500.28799	12.2
501.15656	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	500.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01386	5.0
62.97330	0.7
69.19653	3.5
69.20073	4.9
70.36294	0.8
71.01398	0.9
71.05024	1.2
71.64237	0.7
84.04547	3.7
85.02957	1.7
97.06607	1.5
102.05625	15.8
114.09254	1.5
123.08105	0.9
128.03557	34.0
128.98959	0.9
133.32628	0.8
137.02452	1.2
139.11314	3.1
146.04602	3.3
156.57578	0.8
162.51883	0.8
167.03583	1.1
171.10225	1.4
173.04593	2.1
185.11819	5.0
185.13281	0.9
191.05650	2.5
198.18677	2.0
210.93552	0.9
217.90918	0.8
226.18193	2.7
227.16595	2.7
229.14388	1.2
232.70058	0.8
243.16023	1.7
255.16245	1.0
268.22745	1.8
311.22534	1.4
327.21838	4.3
341.23318	2.5
353.23236	1.6
371.24380	41.6
372.24670	3.8
456.29721	5.5
482.27625	6.3
500.28702	100.0
501.29019	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	500.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
57.66324	0.5
59.01385	6.0
68.09648	0.6
71.01369	0.8
71.05026	1.7
83.05016	1.1
84.04564	2.6
85.02944	0.8
93.03477	1.0
93.07098	1.4
96.96001	0.9
97.06599	1.4
98.19935	1.3
99.34189	0.7
100.04026	0.6
101.02414	0.9
102.05618	14.9
103.05975	0.5
113.76791	0.6
114.09259	0.9
128.03549	32.1
129.03860	0.7
137.02444	0.8
138.39352	0.5
139.11394	0.6
142.01224	0.5
142.27602	0.5
146.04581	3.9
153.12857	2.4
161.02431	0.8
163.03989	1.2
164.04428	0.6
173.04553	1.7
185.11877	0.6
191.05659	2.1
198.18660	0.8
199.13358	1.3
208.06149	0.5
212.20265	1.1
213.14955	2.3
226.18121	0.6
227.16563	4.4
238.18086	0.7
240.19673	0.7
241.14494	3.6
242.27513	0.7
243.16049	1.8
254.21259	1.6
268.22672	1.2
279.19559	0.6
293.21277	0.8
312.21808	0.9
341.23285	2.1
353.23404	1.9
356.20697	1.2
371.24405	34.3
372.24603	3.2
456.29684	6.6
482.27609	7.1
500.28680	100.0
501.29086	11.3
510.52463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81841	0.5
59.01386	82.5
62.73399	0.6
69.46170	4.3
90.97153	1.0
103.46571	0.6
106.90436	0.5
107.58150	0.5
118.70846	0.6
118.96616	0.6
132.98198	1.4
134.97052	1.5
145.78491	0.6
157.03578	4.7
159.01488	0.7
174.99261	22.5
186.88181	0.6
201.02568	33.5
202.02753	1.9
217.00319	100.0
218.00575	2.7
250.95409	0.6
258.15250	0.8
260.14334	0.5
276.98184	1.8
292.96143	1.5
334.97195	1.0
343.03726	2.3
359.01492	58.1
360.01514	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	501.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	2.2
63.99753	0.4
71.54837	0.5
73.02956	1.1
73.93220	0.3
81.76830	0.4
85.02927	0.4
94.45471	0.3
96.96019	2.0
98.95610	1.7
98.96322	0.4
99.00890	0.6
99.92597	13.7
100.86774	0.4
100.93394	1.5
103.00388	0.4
106.52151	0.4
111.00901	0.7
115.92096	19.0
116.92876	100.0
117.01947	1.9
117.92890	4.0
140.92923	0.4
141.93660	0.6
142.94427	0.5
156.92383	0.5
158.93858	0.5
173.04564	0.6
184.91875	0.7
191.05594	0.5
267.31949	0.4
274.83698	0.4
379.08344	0.6
397.09259	2.2
415.10544	2.5
439.10822	1.4
457.11740	3.6
465.08600	1.1
501.10718	8.9
502.10730	1.1
504.87482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
59.01152	0.8
59.01386	8.4
61.91888	0.8
62.27412	0.8
71.01387	6.0
72.99299	0.7
73.02972	0.7
75.00867	2.2
79.95744	7.6
80.01308	0.7
80.96532	1.2
85.02972	2.1
87.00871	1.8
89.02456	4.7
93.03457	4.1
95.95251	4.6
96.96022	100.0
98.95583	3.2
101.02451	2.2
108.02219	1.2
111.04506	1.3
112.93716	0.9
112.98599	1.4
113.02480	2.5
119.03503	2.3
122.97590	1.7
125.02463	1.4
128.03552	2.2
134.03781	1.2
136.01775	1.1
137.02458	6.0
151.04071	1.1
152.01160	2.2
161.04652	0.7
162.03212	1.0
165.01949	16.5
165.05490	0.9
167.03484	3.8
173.04585	3.2
177.03143	1.6
177.05565	0.9
179.03497	1.3
179.05727	1.0
180.04309	27.9
181.04829	1.4
191.05614	8.7
193.05054	1.4
194.05801	0.8
195.03003	15.0
195.06651	26.2
199.10959	1.1
204.67079	0.8
210.05353	19.0
225.07710	49.0
226.08066	2.1
260.63403	0.7
274.01581	0.8
275.02310	4.9
309.10007	1.0
444.59427	0.7
469.04559	0.8
481.20276	0.8
483.15213	2.5
501.10437	16.6
501.17050	1.6
501.26202	1.4
502.10889	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	501.2075
Annotation	Maculalactone E
Peak:m/z	Relative Intensity
59.01382	0.6
63.60418	0.4
70.66160	0.5
70.66502	1.4
73.61983	0.4
92.05034	1.3
96.96011	8.0
98.54911	0.5
105.67716	0.5
114.09248	0.7
123.84930	0.6
136.04004	1.3
152.85106	0.4
222.09236	1.0
249.09061	0.6
250.10051	0.5
256.97406	0.5
359.96591	0.5
381.18271	3.2
413.13043	0.5
457.26840	0.5
465.15054	1.1
466.15314	1.5
467.16556	2.5
468.17273	1.9
479.16290	1.5
481.18124	12.5
482.18408	2.0
483.19739	16.3
483.26825	0.8
484.20071	2.0
485.17490	1.1
501.20746	100.0
502.21036	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	501.2076
Annotation	Maculalactone E
Peak:m/z	Relative Intensity
59.01374	0.6
59.58155	0.3
64.46369	0.3
66.69740	0.3
67.58272	0.3
69.79057	1.1
69.79461	0.8
78.12259	0.4
78.95897	0.4
79.02051	0.4
93.11904	0.3
108.55290	0.3
169.07083	0.3
176.31696	0.3
190.70238	0.3
204.43843	0.3
227.20200	1.1
248.08449	0.5
249.09091	0.5
250.09976	0.3
251.10797	0.5
277.21790	1.8
421.02863	0.3
452.27774	1.0
465.14658	0.6
466.15631	0.4
467.16620	1.3
468.17249	0.5
479.16495	1.6
480.17117	0.4
481.18091	13.9
482.18723	1.8
483.19699	9.2
484.20007	1.1
492.88135	0.4
493.41147	0.4
501.20758	100.0
502.21100	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	501.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.3
56.58945	3.3
57.03437	4.3
59.01163	2.8
59.01388	33.7
59.17434	3.2
61.98833	7.0
70.43932	3.0
71.01386	57.9
71.53403	5.4
73.02943	12.7
78.95885	3.3
83.01385	6.1
85.02962	22.9
87.00898	3.9
89.02449	13.9
93.03469	4.9
95.01400	4.2
96.96025	73.5
96.96974	5.4
99.00925	7.2
101.02459	52.2
113.02478	19.6
118.96653	3.5
119.03514	5.4
119.05024	4.3
120.86812	3.5
143.03540	4.3
151.03946	3.8
159.03036	3.3
159.05627	6.5
161.04559	21.6
170.25223	3.4
171.64645	4.5
173.04498	7.5
177.01904	11.5
177.06810	4.1
179.05586	9.2
191.05652	6.8
205.06165	14.4
208.03360	3.2
219.07771	5.3
220.06667	3.5
223.06161	11.2
225.74300	3.1
279.14539	31.2
327.00809	3.4
376.91608	3.4
441.14023	5.4
441.19772	100.0
442.19931	6.5
501.10364	6.4
501.17780	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	501.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61687	15.6
59.25662	14.7
69.74826	58.6
69.75251	35.2
71.01394	27.3
74.02494	16.9
87.92574	27.8
89.02433	16.8
96.96015	27.4
98.20718	13.8
103.92039	58.4
104.92793	36.4
128.03517	100.0
140.98257	15.3
142.30818	16.9
159.03041	27.6
160.06145	19.6
191.05579	24.0
199.10912	52.8
213.12498	52.5
223.06134	55.4
251.02379	20.3
256.01663	19.2
269.06494	15.9
284.04651	63.4
312.33478	16.5
327.63010	16.6
341.11008	37.0
388.83328	17.8
425.19855	17.1
501.10837	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81458	43.7
74.56496	16.9
77.85632	21.2
96.96009	74.4
123.94599	20.0
128.03529	100.0
198.99252	17.8
199.10841	94.5
213.12447	70.2
215.80411	18.3
278.60208	19.4
418.18893	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61687	15.6
59.25662	14.7
69.74826	58.6
69.75251	35.2
71.01394	27.3
74.02494	16.9
87.92574	27.8
89.02433	16.8
96.96015	27.4
98.20718	13.8
103.92039	58.4
104.92793	36.4
128.03517	100.0
140.98257	15.3
142.30818	16.9
159.03041	27.6
160.06145	19.6
191.05579	24.0
199.10912	52.8
213.12498	52.5
223.06134	55.4
251.02379	20.3
256.01663	19.2
269.06494	15.9
284.04651	63.4
312.33478	16.5
327.63010	16.6
341.11008	37.0
388.83328	17.8
425.19855	17.1
501.10837	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65731	0.3
57.03447	1.0
59.01387	3.8
60.25423	0.3
60.99300	0.8
65.03977	0.3
67.01900	4.6
67.70457	0.3
69.03466	1.4
70.01792	0.7
70.02176	0.9
71.01389	4.4
73.02946	0.4
81.03468	1.0
83.05002	0.8
85.02956	1.5
87.00921	0.4
89.02444	0.4
93.03471	30.3
94.03793	0.6
95.05009	0.4
97.06589	0.8
101.02461	0.4
109.02964	1.2
111.00884	0.8
111.04539	5.1
111.66249	0.4
113.02435	0.7
127.03996	0.4
128.03545	1.0
137.02466	5.5
155.03546	5.1
171.10240	1.4
173.04561	100.0
174.04930	2.4
183.13918	0.6
191.05650	1.5
202.58055	0.3
209.11792	0.5
211.13405	5.5
221.11844	1.1
229.14452	3.7
239.12758	0.6
291.19806	0.9
295.80954	0.4
327.21771	23.9
328.21954	1.6
331.54504	0.4
501.27094	15.6
502.27582	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	501.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94589	0.7
62.48715	0.7
67.76152	0.7
72.65243	0.7
79.15336	0.8
101.16707	0.7
135.66750	0.8
149.09727	28.2
149.10905	1.6
163.11301	100.0
164.11615	4.0
325.21744	27.8
326.22043	2.2
337.21716	14.3
338.22177	1.5
501.33786	90.7
502.34146	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	502.2946
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
53.78878	0.1
57.35488	0.1
59.01383	0.9
62.96389	0.1
71.01403	0.4
71.45333	0.1
78.95914	24.9
83.05048	0.3
96.96973	0.4
104.97488	0.1
105.63276	0.1
122.98547	0.2
127.07682	0.2
134.98535	0.2
141.41757	0.1
152.99612	2.6
168.04333	3.8
194.05859	0.2
205.19690	0.2
224.06946	11.1
225.07266	0.4
227.20137	0.3
233.22748	0.4
242.08032	2.7
253.94308	0.1
259.20630	0.4
275.20013	0.4
277.21738	100.0
278.22073	6.3
406.34311	0.1
413.20862	0.2
482.18375	0.4
484.19977	0.5
502.21100	4.2
502.29306	25.2
503.21619	0.4
503.29587	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	502.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15052	0.1
59.01388	0.8
69.24558	0.6
69.61300	0.1
71.01392	0.3
78.95913	6.3
81.01014	0.1
83.05032	0.2
89.42429	0.1
96.96980	0.1
97.06613	0.1
99.04539	0.1
101.15842	0.1
102.42158	0.1
110.26888	0.1
122.98591	0.1
127.07665	0.2
152.99585	0.7
168.04323	1.9
197.11905	0.1
205.19478	0.1
224.06926	1.2
233.15451	0.1
233.22806	0.3
234.22997	0.1
242.08012	3.3
243.08301	0.1
259.20627	0.5
275.20132	0.4
276.47177	0.1
277.21732	100.0
278.22076	6.7
340.58539	0.1
463.65036	0.1
502.21539	0.2
502.29416	6.7
503.29614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19225	0.5
57.03450	1.8
58.00602	0.6
59.01385	5.9
62.63877	0.4
69.19668	4.0
69.20074	1.1
69.21871	0.5
71.01379	1.4
71.05030	2.7
72.04548	0.8
73.02959	0.8
83.05033	0.6
84.04563	5.0
85.02970	1.3
87.04527	0.9
93.03477	2.3
96.96009	7.0
97.06612	2.8
102.05618	16.7
111.04523	0.6
114.09243	1.4
115.09366	0.5
121.10262	1.3
125.09706	1.2
128.03552	35.2
129.03906	0.7
133.03006	1.4
134.03769	0.6
135.04555	2.5
137.02432	1.0
137.09782	0.9
139.11295	0.9
142.12370	0.5
145.02925	0.8
146.04613	2.9
153.01970	0.5
155.10823	1.1
157.12375	0.6
161.02470	4.4
161.29407	0.7
165.05640	0.7
169.12332	1.0
171.08904	0.7
171.10255	3.8
173.04559	3.4
176.04080	0.9
179.03461	1.6
184.13428	0.5
185.11859	3.0
191.05629	4.9
193.05074	1.1
194.05521	0.7
198.18678	2.4
215.12872	2.7
226.18153	1.5
235.93364	0.5
256.15491	1.5
256.19040	0.7
257.05692	0.9
257.17633	2.6
280.11356	0.8
281.06665	0.6
284.03226	0.7
285.03427	0.6
300.14569	2.5
307.22824	0.5
325.23923	1.2
335.07932	0.8
337.24109	1.0
343.24930	4.0
343.28735	0.6
355.24939	10.0
356.25284	0.9
358.28015	0.5
371.24359	0.7
373.25958	32.6
374.26373	2.8
386.33688	0.5
428.30228	1.2
440.30133	1.8
458.31250	5.4
459.31238	0.7
484.22382	0.6
484.29199	9.2
485.29489	0.9
502.30270	100.0
503.11700	0.6
503.30722	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	502.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00951	0.5
57.03457	3.0
59.01125	0.5
59.01390	9.1
61.98835	1.2
67.01904	0.9
69.03458	1.3
69.58866	3.5
71.01385	3.4
71.05024	0.7
73.02958	0.7
79.96690	0.5
82.02995	0.8
83.05027	2.0
84.04555	4.7
85.02974	2.9
87.00877	2.1
89.02460	1.7
91.28435	0.6
93.03468	9.5
94.03822	1.7
95.50148	0.6
96.96004	0.8
97.06602	1.1
99.04564	0.8
99.08184	2.0
101.02450	1.9
102.05618	16.7
102.06270	1.1
111.04519	2.0
113.02480	1.9
114.01730	0.6
114.09261	1.1
119.05064	1.6
119.08632	1.2
123.08176	0.9
125.02465	0.8
125.09735	1.2
127.11273	0.9
128.03552	52.3
129.03917	1.5
129.09222	0.7
133.02998	0.8
135.04526	0.9
136.01714	0.7
137.02448	1.2
137.09753	2.1
146.04617	2.6
150.03188	1.1
153.12851	2.0
155.03519	2.7
161.02431	1.8
161.04692	0.7
163.03999	0.8
171.10284	1.3
173.04564	11.5
173.96921	0.6
174.04893	0.9
179.03577	1.1
183.13939	2.5
187.02512	0.7
191.05650	6.1
192.05861	0.6
193.12363	1.1
199.13420	5.5
211.13396	13.8
212.20230	1.8
223.13393	8.5
229.14461	10.1
240.19719	1.1
253.09406	1.1
263.10925	0.9
268.22778	1.4
281.11914	2.3
295.22632	0.7
311.22302	1.2
313.23874	8.8
325.23813	4.5
326.24023	0.7
327.21991	0.6
328.22043	0.7
329.23328	37.1
337.23965	0.9
355.24841	4.0
358.18707	1.1
373.25952	27.0
374.26419	2.8
391.27032	5.7
398.29153	1.3
410.29205	1.4
458.31390	3.2
484.29227	5.4
502.30322	100.0
503.21326	3.0
503.29681	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	502.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73945	0.8
52.11981	0.6
57.03447	2.2
59.01369	2.2
69.26527	6.6
71.01399	0.7
71.05029	1.6
84.04543	2.7
87.04504	0.9
97.06582	1.0
102.05619	15.2
107.28387	0.7
107.94559	0.6
109.43777	0.6
114.09254	1.6
121.10210	1.4
125.09711	1.1
128.03557	32.3
139.11340	1.4
146.04683	3.5
146.05620	0.7
148.74150	0.9
153.12880	0.7
185.11839	0.8
191.05551	0.8
198.18640	2.1
199.13329	1.7
210.45207	0.7
215.12842	4.1
226.18202	2.3
285.20740	1.0
290.18765	0.7
313.23987	1.0
325.23880	2.3
343.24951	5.1
343.28519	0.8
355.24973	3.4
373.25974	41.9
374.26379	3.4
428.30359	1.7
458.31332	5.9
484.29242	6.1
502.30280	100.0
503.30591	12.7
523.86438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.3
59.01374	1.4
71.05029	0.8
71.31329	1.0
83.05019	0.8
84.04543	2.5
85.02956	0.7
87.04525	0.8
93.07076	0.7
97.06606	5.1
102.05620	15.8
111.08151	0.6
113.09755	0.9
114.09272	0.7
123.08186	1.1
128.03554	31.4
129.03845	1.0
137.09729	1.1
139.11310	0.7
143.10825	1.0
146.04590	2.6
183.13937	1.2
185.11800	2.1
198.15009	0.8
198.18637	1.0
199.13411	15.6
200.13652	0.6
211.16843	0.8
212.20146	1.5
215.12895	0.7
225.14925	0.9
239.16518	2.5
240.19658	1.5
284.18680	1.6
328.22043	0.9
343.24963	2.8
355.24826	1.7
373.25946	34.9
374.26279	2.5
378.14334	0.6
388.36700	0.8
394.52670	0.6
423.81418	0.7
428.29794	1.3
440.29987	0.8
458.31293	6.8
484.29276	4.7
502.30228	100.0
503.30573	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	503.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.9
60.99307	14.5
65.27676	2.3
70.08138	8.5
71.01385	5.2
74.02467	3.5
85.02962	6.9
88.98814	100.0
93.03453	11.6
111.00903	2.9
111.04552	2.6
116.18668	2.6
116.29173	2.9
127.04066	2.9
158.54825	2.3
159.82767	2.3
173.04562	17.5
180.93689	3.3
185.11685	2.5
191.05602	37.0
207.10330	2.9
211.13348	3.0
222.92557	5.8
226.92035	5.9
246.98018	3.2
283.13327	4.0
310.50119	2.8
311.66061	2.7
329.22913	3.5
367.69040	3.0
487.99817	5.6
495.22449	2.8
503.02328	15.4
504.28043	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	503.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55646	1.8
55.66508	1.9
57.03436	3.7
59.01390	31.9
71.01382	28.4
71.53334	3.4
71.53719	2.2
79.95724	6.8
80.96524	2.8
83.01364	2.1
85.02942	4.6
86.51750	2.2
87.00887	2.8
89.02460	13.5
91.04013	22.5
93.03466	12.3
95.95226	9.5
96.42030	2.3
96.96021	76.3
96.99283	5.0
98.95570	2.7
101.02448	6.8
103.95524	2.2
108.02158	5.1
109.02996	3.0
113.02458	3.1
115.00379	10.7
115.04028	3.9
119.03510	2.7
119.05011	11.3
121.02963	2.7
123.04501	3.2
128.03520	2.3
130.04245	2.5
131.04951	3.0
132.04529	2.9
133.02968	6.5
134.03789	13.6
135.04503	2.1
136.01642	11.6
137.02475	14.1
139.69899	2.3
143.05013	5.9
145.02991	4.6
145.06705	2.2
146.03738	4.3
147.04578	3.4
150.03229	8.0
151.04013	10.6
152.01082	2.4
152.04811	5.0
158.03783	4.8
159.04453	7.0
161.02408	2.8
162.03183	6.1
163.04065	9.8
165.01941	3.8
171.04523	7.5
173.02385	2.8
173.04619	4.0
174.03178	3.9
175.03987	5.2
176.03557	2.4
177.01936	4.0
178.02701	2.4
179.03474	2.4
179.05617	3.0
187.03987	8.6
189.04073	25.8
189.05614	4.8
191.05663	15.4
193.05043	4.6
197.04547	3.8
197.06163	2.9
212.06908	8.3
221.06285	3.0
225.05533	7.8
226.06374	100.0
227.06693	6.8
227.09071	4.9
233.06023	2.4
237.05632	4.0
238.06340	6.3
239.07153	4.9
241.08719	29.4
242.05823	2.3
251.07162	21.7
252.07869	9.7
253.08821	16.1
254.05824	61.6
254.09358	9.3
254.11711	3.0
255.06319	6.0
263.07257	3.4
266.05865	9.1
267.06546	8.1
267.10144	8.7
268.07297	2.6
269.08215	80.5
269.11493	4.6
270.08514	4.7
275.02298	9.2
279.06628	30.9
280.07431	25.7
281.08234	58.3
282.08939	26.4
283.09802	6.7
295.06619	3.4
295.09738	22.2
297.11386	28.7
299.05591	3.8
307.06183	5.2
308.06909	16.1
313.07236	7.8
313.10742	2.3
323.09320	43.8
324.09479	5.2
339.08585	4.2
341.10312	4.3
367.08270	21.9
383.13556	2.8
385.09274	7.0
400.11539	2.9
411.07288	4.1
415.14017	31.0
436.07828	2.6
467.25159	2.4
503.12006	79.0
504.12183	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	503.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
57.03448	1.7
59.01382	6.6
61.96771	0.5
64.07333	0.6
67.01911	0.6
69.79528	2.6
71.01388	2.4
73.02956	1.1
79.02400	0.6
79.95740	3.9
81.03498	0.9
84.04578	1.1
85.02973	2.1
86.36491	0.6
90.98624	0.7
93.03465	8.3
93.41703	0.6
96.96024	100.0
99.04544	1.3
101.02468	1.6
102.05618	2.9
113.02468	0.9
114.93420	2.0
121.02965	1.3
122.03719	0.8
125.02406	0.8
127.04050	1.1
127.05035	0.6
128.03569	7.2
133.02946	1.7
134.03796	3.6
135.04553	6.6
137.02437	6.9
149.02490	2.3
149.06116	1.0
150.03230	3.4
155.03496	0.8
160.04466	0.6
161.02454	9.2
165.05560	6.0
171.10320	0.7
173.04562	14.3
174.04932	1.0
178.02795	1.3
179.03508	6.0
183.30534	0.6
191.05640	5.2
193.05132	3.1
193.06593	0.6
195.06635	1.9
240.08247	0.7
257.05695	0.6
281.06717	6.2
300.14856	0.8
335.07779	6.9
336.08209	0.9
341.10437	2.2
355.24780	1.4
356.25204	1.0
359.10397	1.0
373.25949	4.9
374.26379	2.2
375.27625	0.8
402.11176	0.7
405.17865	0.7
438.86340	0.6
443.17529	0.9
458.31763	0.7
459.31995	0.9
484.29379	1.0
485.30054	0.8
502.30307	9.3
503.11551	0.9
503.30743	9.4
504.31906	1.6
514.09143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.242
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33336	0.6
78.95909	38.8
80.27631	0.5
96.96980	3.2
98.19910	2.2
98.20621	3.0
104.82901	0.6
129.23050	0.5
152.99596	43.8
154.97127	0.6
168.04321	1.7
170.99265	1.0
171.00647	12.8
210.99307	0.7
214.48158	0.6
224.07042	1.1
227.03278	1.8
229.34663	0.7
231.21194	25.7
232.21516	2.3
242.07968	2.1
245.04320	76.4
246.04729	1.8
275.20172	33.4
276.20648	2.9
279.23303	100.0
343.44986	0.7
368.42447	0.7
388.41748	0.6
503.24194	18.1
504.24307	2.2
504.31067	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	503.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02321	0.2
50.16558	0.2
57.03459	0.7
59.01379	1.6
60.99325	0.4
63.18720	0.2
67.01897	5.2
67.79081	0.3
69.03455	1.0
71.01392	3.0
76.00240	0.3
77.88065	0.3
79.91140	0.2
81.03469	0.9
83.05033	1.1
85.02963	0.8
87.00892	0.3
93.03468	26.1
94.03794	0.5
99.08167	1.0
108.47572	0.3
109.02950	0.7
111.00893	1.0
111.04539	4.9
113.02438	0.4
113.57553	0.3
127.04029	0.4
127.11231	0.5
137.02469	4.9
155.03514	5.5
167.14371	0.4
171.10292	0.6
173.04564	100.0
174.04871	2.4
180.43813	0.3
183.13911	1.0
191.05620	0.9
209.11893	0.8
211.13406	6.8
229.14444	4.4
329.23343	23.9
330.23764	1.1
503.28677	17.3
504.29077	1.3
512.28125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03480	1.0
59.01376	1.8
67.01925	0.4
69.03490	0.4
69.26838	0.8
69.27245	2.6
69.78557	0.4
71.01424	0.8
81.03499	0.8
83.05031	1.9
85.02998	1.3
87.00916	0.7
93.03464	5.0
99.08169	4.9
99.81184	0.3
102.74290	0.3
109.03019	0.5
111.04530	5.3
111.05225	0.4
112.15710	0.3
125.02483	0.6
125.09808	1.1
127.04074	0.7
127.11294	2.4
128.03571	1.2
129.02028	0.4
137.02524	1.0
150.31772	0.4
155.03519	5.3
155.04602	0.4
155.10805	0.3
155.14532	0.7
165.12868	0.7
167.10851	0.5
167.14468	1.4
168.54480	0.3
171.10316	2.5
173.04558	16.8
183.13905	5.9
189.77634	0.3
191.05676	3.2
193.12317	2.2
199.13460	0.6
209.11874	1.7
211.13402	37.3
212.13757	2.3
223.13435	1.5
229.14447	22.0
230.14815	1.3
288.44586	0.4
293.21362	0.9
311.22266	1.1
329.23352	100.0
330.23740	7.9
374.26218	0.5
503.28619	33.1
504.29163	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	503.302
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
54.51213	0.8
57.03432	3.0
58.64811	0.8
59.01392	4.3
60.99290	1.1
61.98845	4.4
67.01887	1.2
69.03457	7.0
69.19300	8.1
71.01388	2.1
80.08116	0.7
80.34629	0.9
81.03458	1.1
83.05013	1.2
85.02944	2.2
87.00880	1.0
90.63387	0.8
93.03474	4.7
96.95938	0.9
101.02409	1.0
106.71172	0.8
107.05022	3.7
109.02970	1.6
109.06602	53.7
110.06902	1.2
111.04514	1.0
114.34118	0.8
115.54813	0.8
125.09735	5.2
133.02962	4.4
135.04491	2.5
137.02472	1.3
145.02922	0.9
150.70161	0.7
153.67455	0.8
155.03511	0.9
155.28307	1.0
161.02460	1.4
161.32202	0.8
172.05275	0.9
173.04607	7.8
174.28603	0.9
175.07478	1.2
177.01913	1.3
177.09218	0.9
178.02620	1.1
179.03526	1.1
187.07764	0.9
187.09776	2.6
191.05623	13.7
207.10246	2.9
209.11868	7.1
211.13419	5.8
215.05597	1.6
225.11296	1.4
227.12929	1.5
228.04642	1.1
261.13416	2.2
289.21823	2.5
311.23862	2.6
325.25589	1.0
327.23285	2.2
329.24869	22.9
330.24951	0.9
339.27051	1.5
351.07089	2.0
355.26550	1.3
357.28000	14.5
358.28323	1.8
361.30215	0.9
365.24652	1.4
383.25922	11.8
386.27539	0.9
401.26984	42.4
402.27414	3.9
406.12320	1.0
445.25940	17.2
446.26093	0.9
459.31204	26.4
460.31458	2.2
471.26044	1.8
503.30161	100.0
504.30505	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	504.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
59.01374	2.8
61.98859	0.9
68.55672	0.9
69.40580	1.8
69.40984	4.2
84.04556	2.1
85.02985	1.4
87.04543	0.9
87.71325	0.7
96.62792	0.8
98.19868	1.5
99.05008	0.8
102.05621	14.8
109.06599	0.9
114.09251	1.8
123.08178	0.9
128.02591	1.8
128.03551	34.1
135.04605	0.9
139.11281	0.8
146.04588	2.2
161.02428	1.0
165.05551	0.9
169.12378	1.0
173.04495	1.7
185.11856	1.1
191.05603	3.2
198.18683	3.1
212.16591	0.9
226.18045	1.3
256.03339	1.0
311.22235	0.8
329.23309	2.6
357.26599	6.5
373.25931	1.8
375.27521	50.5
376.27924	4.0
460.32977	9.4
461.33160	1.3
486.30661	4.6
504.31827	100.0
505.32187	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	504.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42420	0.3
57.03453	3.8
59.01383	3.5
61.10223	0.3
69.03471	0.9
70.29886	1.0
71.01382	1.0
71.05018	1.3
72.04574	1.2
73.02969	0.7
74.02495	0.4
81.72884	0.3
82.02979	0.4
84.04544	3.0
85.02967	1.2
87.00921	0.4
87.04523	0.6
93.03472	1.1
96.96014	0.5
97.06603	0.9
98.20009	0.4
101.02496	0.5
102.05618	14.5
108.36450	0.3
111.08167	0.9
112.80195	0.3
114.09255	2.5
118.04592	0.4
123.08166	1.9
125.09761	0.8
125.86509	0.3
128.03552	33.7
129.03925	0.6
135.04514	0.4
139.11331	0.6
141.09195	0.5
142.12431	0.6
146.04630	2.6
152.10925	0.4
153.01996	0.4
153.09248	0.4
154.12383	0.3
155.10814	0.5
157.12360	0.9
161.02423	0.9
168.14056	0.3
168.22888	0.4
169.12358	5.1
171.10301	2.3
173.04622	1.6
179.03482	0.7
184.17114	0.7
185.11801	1.2
191.05598	3.7
195.99190	0.4
198.18671	1.2
210.18616	0.9
210.85556	0.3
212.16583	1.5
226.18143	1.5
240.81940	0.4
267.36057	0.4
281.11554	0.4
300.87787	0.3
311.22284	0.6
327.25522	0.8
329.23495	2.2
339.25467	0.6
355.25067	0.6
357.26456	4.4
375.27530	52.8
376.27875	4.6
460.32803	9.0
461.33127	1.2
471.29901	0.3
486.30658	4.2
504.31821	100.0
505.25641	0.8
505.32245	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	505.1356
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
52.13010	0.8
55.01884	0.9
57.62105	0.8
59.01389	9.7
63.17673	0.7
65.00328	1.0
67.01874	1.4
70.99508	1.6
71.01398	7.4
73.02946	2.4
76.19635	0.8
81.03478	1.8
83.01401	2.8
85.02962	3.4
87.00883	1.8
88.85509	1.0
89.02434	1.0
91.01918	2.7
93.03473	4.8
95.01387	2.4
95.80142	0.8
96.96027	5.9
96.99310	1.1
101.02438	4.1
107.01384	5.7
108.02195	7.9
109.02954	4.4
111.00902	2.5
113.02479	2.3
121.02959	3.2
122.03789	1.1
123.00893	5.3
123.04550	15.2
123.82691	0.9
124.01643	0.8
125.02451	4.5
133.02954	2.5
134.03760	53.8
135.04562	7.0
136.01630	1.1
137.02452	10.3
139.04037	3.6
148.04066	1.0
149.02473	2.0
149.04907	1.6
149.06100	21.5
150.03239	3.9
151.00378	11.1
152.01170	11.3
153.01944	9.0
161.02449	3.3
162.03154	1.3
163.00343	1.9
164.01108	1.2
164.04794	1.8
165.01953	3.4
166.02689	2.6
167.03511	28.3
168.03806	1.1
170.98587	0.9
173.04553	2.6
175.04002	1.2
177.01910	1.0
178.02721	42.8
179.03331	3.4
181.05066	1.2
185.66182	0.8
191.05615	14.2
191.07211	1.6
192.04301	3.3
193.01398	3.3
193.05067	100.0
194.05400	3.4
195.03030	1.2
201.01903	1.1
201.09404	1.2
204.04362	1.3
206.02036	1.4
207.06670	2.3
209.11836	4.6
223.06081	1.7
241.05185	1.0
243.03067	1.1
253.90518	1.0
261.09219	1.1
262.10086	2.3
283.13583	1.0
285.04059	1.4
296.05392	2.5
297.06085	9.6
299.05569	1.2
301.07141	1.4
311.07751	28.7
312.08188	1.7
313.11005	1.3
323.26453	1.0
328.05899	3.0
343.08212	35.1
344.08554	2.0
373.09268	2.5
374.19034	1.0
413.87958	0.9
445.11279	4.0
461.14612	1.3
505.13589	96.3
505.31430	2.9
506.13812	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	505.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48502	1.0
59.01386	96.2
61.50592	0.9
61.98827	1.2
71.01384	3.8
71.54724	1.4
73.32719	0.9
75.00894	1.4
85.02956	4.0
89.02460	3.0
93.03476	2.8
96.96014	8.7
98.95638	1.3
101.02460	3.0
120.01289	1.0
137.02493	1.0
140.35609	1.0
151.03984	2.8
152.01224	1.0
153.59853	1.0
161.02457	13.5
176.04868	10.3
179.03508	25.5
191.05608	7.0
191.07188	5.7
192.06006	1.3
194.05850	33.1
195.06241	1.4
201.64844	1.0
209.08200	100.0
210.08531	4.2
215.87453	1.1
227.03487	6.9
242.05859	9.3
257.08194	17.2
269.04779	1.3
343.11887	5.0
367.45721	1.1
401.85822	1.1
505.23965	1.1
506.18066	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	505.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65903	0.9
57.03446	0.8
58.25780	0.9
59.01385	21.7
61.98819	1.6
62.14665	0.8
67.01884	1.3
71.01383	6.0
71.54809	1.5
72.99284	1.2
73.02944	1.6
74.02481	2.2
79.95755	0.8
83.01382	1.0
83.05020	1.1
83.47879	0.8
85.02978	5.9
87.00874	3.2
89.02447	3.6
93.03470	8.2
101.02451	5.9
105.53825	1.0
109.02956	0.8
111.04536	1.8
112.01190	0.8
113.02454	3.1
119.03506	1.6
133.02977	1.4
135.04576	1.2
137.02454	1.0
143.16229	0.8
155.03505	0.8
161.02467	0.9
161.04549	1.7
173.04576	7.2
179.03412	1.1
187.65964	0.8
191.05635	21.2
192.05951	1.9
209.11838	100.0
210.12199	4.9
211.13313	2.4
215.07335	1.1
219.15630	0.8
235.08192	2.0
253.09270	10.1
285.20682	3.7
343.11215	0.9
358.26599	0.9
447.25928	8.0
449.14383	0.8
505.22678	4.2
505.28265	2.2
505.34323	1.6
505.96405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86062	0.7
59.01377	0.9
69.50205	3.4
69.50621	1.1
78.95914	28.8
96.96973	1.7
98.19950	1.2
108.27909	0.6
120.72075	0.6
152.99603	37.7
171.00616	1.6
227.03293	6.3
233.22600	0.8
236.40703	0.7
245.04271	2.1
259.20685	0.6
277.21750	100.0
278.22125	6.8
413.20932	1.3
505.25797	63.8
506.26202	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	505.2576
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.55126	0.4
54.95327	0.4
59.01390	1.3
70.99753	0.8
78.95912	11.7
93.19272	0.5
96.96983	0.9
101.74453	0.5
105.65859	0.4
106.67181	0.5
110.28771	0.4
152.99596	17.5
171.00638	1.4
227.03242	2.9
245.04318	2.3
275.20285	0.5
277.21735	100.0
278.22086	7.5
279.23282	0.7
280.23648	1.4
500.14502	0.5
505.25723	30.6
506.26022	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3024
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01900	0.9
57.03460	1.9
59.01385	13.0
59.34566	0.7
62.65485	0.7
64.44738	0.8
67.01903	0.9
68.99815	1.0
69.03465	1.0
71.01386	12.3
72.99317	5.1
74.51970	0.7
75.00874	16.8
78.95953	0.8
85.02962	17.3
87.00880	7.3
89.02461	2.8
92.43156	0.8
93.43152	0.8
95.01417	4.5
99.00895	10.1
103.00420	2.0
113.02460	25.0
115.00375	2.0
117.01945	1.5
129.01968	1.9
157.01413	1.0
159.09074	0.8
175.02478	3.4
182.29694	0.8
205.07092	2.1
216.66028	0.7
231.05066	2.4
249.06186	17.2
255.23312	100.0
256.23581	7.2
267.07239	2.8
445.28284	1.0
487.29056	3.7
494.95483	0.8
505.30225	95.7
505.82498	0.9
506.30615	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	505.3178
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
53.67673	0.4
57.03455	8.1
59.01395	2.5
61.98833	0.5
69.03461	3.1
69.18118	0.4
71.54653	0.4
80.02677	0.9
83.05022	0.6
85.02958	0.5
87.00894	0.8
93.03462	1.5
94.04192	0.4
94.40854	0.4
107.05019	2.5
109.06603	52.9
110.06932	1.7
135.04539	0.7
146.23723	0.4
173.04543	1.1
191.05661	3.3
192.05867	0.6
209.11852	0.7
210.12292	0.5
232.48364	0.5
273.22327	0.8
289.18112	0.7
303.55774	0.4
307.19189	1.4
311.23672	0.7
313.25385	9.2
314.25467	0.5
325.25287	0.5
327.26868	2.1
329.24799	0.9
341.28491	7.0
342.28665	0.5
343.26291	0.9
351.07291	0.5
355.30093	1.1
357.27957	1.9
367.26511	1.7
381.27859	0.5
389.30615	10.5
390.30994	1.4
417.40024	0.5
425.31244	0.5
441.89352	0.4
443.31830	4.9
444.31799	0.4
457.79147	0.5
461.32751	42.4
462.33142	3.8
469.24432	0.7
505.31750	100.0
506.32129	11.6
506.60144	0.4
506.68311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
59.01384	13.6
60.74928	1.7
61.98837	100.0
67.01902	4.6
70.72711	1.7
70.76939	1.7
71.01388	9.2
71.54721	1.9
71.55122	2.8
78.95910	3.1
83.01418	2.7
85.02962	7.2
87.00876	6.2
89.02463	2.3
93.03471	29.1
96.95988	3.0
99.00864	2.2
101.02445	6.1
109.02924	2.6
111.04539	5.8
113.02429	3.4
120.95740	2.2
128.60764	1.9
133.02957	2.7
134.03752	3.0
135.04517	10.9
137.02489	2.0
161.02426	2.2
173.04558	22.7
178.02802	2.4
178.70808	2.1
179.03542	3.6
191.05634	33.1
192.05980	2.8
197.11723	1.9
209.11829	5.3
210.12263	1.8
215.07080	2.1
220.43883	1.8
255.02963	3.1
284.03558	2.8
285.04105	2.1
309.20569	4.2
330.37753	1.9
489.17603	7.9
505.33838	8.0
505.96201	5.6
506.18210	2.6
506.25430	6.0
506.33923	5.2
507.18689	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	506.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	38.2
65.39384	1.4
69.11827	1.3
71.01012	2.3
71.01389	31.0
71.53214	2.2
72.00918	12.4
72.99316	2.9
85.02953	4.9
89.02454	38.2
93.03461	1.5
96.96062	2.3
101.02464	15.1
103.05590	1.5
106.91688	1.3
113.02479	11.6
119.03529	13.3
131.03554	1.9
133.40427	1.4
143.03503	4.1
147.04527	46.0
149.04518	2.5
157.33191	1.5
161.04570	7.6
164.07178	100.0
165.07501	3.7
176.92973	1.5
179.05621	29.1
341.10913	92.7
342.11160	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	507.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76867	0.8
56.87531	0.8
56.97781	0.9
56.98038	17.6
57.03433	0.8
59.01382	16.6
60.99250	0.9
61.66096	0.9
61.98825	1.6
69.43111	0.7
71.01392	5.8
71.09987	0.7
71.48591	1.0
72.99306	1.1
73.02956	1.5
73.98325	1.1
74.99104	100.0
79.06090	0.9
85.02953	5.0
87.00880	9.7
89.02457	2.4
93.03430	0.8
94.83254	0.7
95.01415	1.7
96.96004	3.5
99.00859	1.3
101.02447	3.0
113.02461	10.2
117.00182	1.6
118.98089	6.5
119.03538	1.5
121.02993	2.5
123.03374	0.7
125.02468	0.8
137.02333	1.0
139.51161	0.8
153.05467	1.0
161.04530	1.9
164.03592	1.0
165.01897	1.8
167.10797	2.7
177.01978	1.6
189.75446	0.8
191.05702	1.8
192.04285	1.1
234.77306	0.8
237.04382	40.9
238.04704	1.3
249.06236	1.4
281.03394	7.1
299.04437	29.5
299.07776	1.8
300.04678	0.8
387.04926	0.8
387.20291	1.2
405.14117	1.4
405.21384	0.9
447.22284	2.1
511.86313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05569	1.4
59.01386	2.3
69.18877	1.2
69.19011	2.9
69.19431	12.2
69.19746	1.7
72.99313	2.4
75.00896	8.7
87.00887	20.4
99.00901	2.8
105.01304	1.8
105.01952	18.2
109.65090	1.6
129.01953	2.7
147.03041	3.5
165.04050	100.0
166.04358	1.9
200.39450	1.3
278.40439	1.6
338.67090	1.6
509.03149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.96494	0.8
61.98845	4.8
71.01372	1.0
73.02966	1.0
75.00882	2.4
85.02950	1.6
87.00841	0.9
88.98810	2.9
89.02435	1.5
93.03470	3.0
96.96001	2.3
101.02448	1.3
137.02443	3.2
173.09856	1.1
179.03534	1.1
183.08157	0.9
191.05612	4.5
197.09677	1.9
201.09164	1.7
209.09714	1.8
211.07611	2.5
211.11375	2.1
212.08533	1.0
223.11316	12.3
223.13358	1.9
237.09131	2.7
237.12943	5.0
239.14430	4.7
249.12854	19.6
250.13176	2.0
251.10854	2.1
252.11444	0.9
267.13922	51.0
268.14288	3.3
276.43628	0.8
285.14972	87.9
286.15323	7.2
327.08554	1.4
407.18976	0.9
485.67749	0.9
490.38538	0.9
507.28461	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68503	0.6
57.03448	0.6
59.01384	19.9
60.99293	1.0
61.98825	1.3
63.05644	0.6
67.01919	3.0
69.03479	1.6
71.01389	6.3
71.21582	0.6
73.02944	1.4
80.69323	0.6
81.03463	1.2
83.01405	1.2
83.01958	0.7
83.04987	0.9
85.02979	2.9
87.00892	3.5
89.02443	2.8
93.03467	20.1
94.03795	0.9
96.96020	1.0
98.19939	1.5
99.00903	1.2
101.02451	3.9
104.37537	0.7
109.02937	0.9
110.80190	0.6
111.04509	2.3
113.02444	3.1
119.03542	0.7
119.05044	0.7
123.04738	0.6
133.02953	2.0
134.03741	1.5
135.04523	4.8
135.94421	0.6
137.02457	3.2
142.42558	0.6
155.03500	1.2
161.02448	4.6
161.04555	1.5
167.14355	0.9
173.04561	19.6
176.03925	0.7
177.01955	2.5
179.03465	3.3
183.13930	6.3
191.05632	15.6
192.05925	1.5
193.12404	1.4
211.13405	100.0
212.13747	4.7
235.08269	0.8
253.09322	11.7
265.12314	0.9
269.15549	0.8
275.09290	1.0
306.25409	0.6
335.07687	1.8
353.08847	0.9
374.06027	1.3
426.19135	1.4
426.68839	1.0
427.19662	6.1
435.12051	0.6
447.22424	4.1
449.14520	9.2
450.15475	1.1
475.90192	0.7
507.10480	3.1
507.18710	3.8
507.28693	1.4
517.30157	1.9
519.31873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.2
59.01387	100.0
61.98835	3.3
67.75859	0.7
69.03432	0.9
69.86709	2.8
71.01395	15.5
72.99315	1.3
73.02954	16.6
75.00903	0.8
83.01406	6.9
85.02972	2.8
87.00901	1.4
89.02443	6.1
93.03489	2.3
95.01396	1.2
96.96027	8.1
97.02950	0.7
99.04540	0.7
101.02459	19.9
111.04526	0.9
113.02454	9.1
119.03532	2.3
120.99672	1.3
121.02992	1.8
123.04595	1.0
125.02474	2.7
131.03557	2.4
134.07408	1.4
135.98398	1.1
136.66505	0.7
137.09743	1.2
143.03531	2.4
149.04599	2.8
149.09734	19.8
150.25421	0.7
161.04556	7.0
165.02039	1.1
167.10797	40.9
168.11186	0.8
172.03424	0.6
173.04559	2.0
181.05106	1.2
191.05611	6.8
196.07391	1.2
203.05649	0.8
207.13913	1.1
211.09741	2.9
221.06703	1.7
225.14984	7.8
243.15964	1.1
268.07446	0.9
270.05490	1.0
271.06113	1.7
283.10114	2.3
285.07837	2.3
285.11301	1.4
286.08624	2.0
301.10782	5.9
327.09195	0.8
345.09985	0.9
387.20294	7.5
405.21494	1.6
447.22433	12.4
448.22803	1.3
489.15399	1.1
507.16516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78819	0.4
69.46466	2.5
69.52814	0.3
78.95908	8.4
89.20351	0.3
89.76772	0.3
96.96937	0.8
103.08733	0.3
113.31841	0.3
152.99599	15.4
171.00636	1.1
200.63068	0.4
227.03307	2.7
245.04327	1.7
255.10173	0.3
261.22174	0.4
279.23297	100.0
280.23627	7.5
352.36182	0.4
507.27328	28.7
508.27823	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	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40682	0.5
59.01366	0.6
64.41119	0.5
65.92683	0.5
70.85252	1.1
78.95913	19.0
85.47301	0.5
96.96955	2.1
135.66818	0.4
152.99602	29.3
171.00630	1.3
227.03276	5.7
245.04352	0.9
279.23306	100.0
280.23660	7.3
415.22473	0.9
507.27319	57.7
508.27679	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	508.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46404	3.5
57.03445	5.4
59.01385	67.3
60.01734	4.3
61.98837	100.0
67.01845	4.2
67.28797	3.0
69.45786	26.0
69.97402	3.7
71.01395	14.2
73.02949	12.8
79.95731	3.6
80.96509	6.3
83.05073	3.6
85.02968	10.8
87.00900	7.5
89.02471	4.6
91.01862	3.8
93.03469	32.8
93.78131	4.1
96.96022	34.1
101.02439	9.4
108.02184	3.8
109.02982	13.7
111.00905	4.8
111.04549	5.9
113.02440	8.1
116.10163	3.4
119.05017	6.3
120.99670	31.4
121.02966	7.3
125.02483	7.7
129.03459	5.6
133.02951	4.4
134.03751	4.7
135.04509	15.7
137.02472	18.5
145.02974	14.2
146.03751	28.7
147.04552	59.9
155.03543	3.7
158.03758	7.1
159.04535	35.9
161.02426	11.9
163.03918	3.3
165.01900	4.8
173.02533	3.5
173.03229	3.8
173.04565	29.6
174.05000	4.7
179.03459	8.6
191.05620	62.2
192.05957	8.4
193.05096	5.7
199.07622	19.5
200.07918	8.0
202.02747	12.6
203.03577	4.3
209.11786	7.0
210.12134	5.7
229.01418	10.3
241.09746	4.1
249.05650	4.8
263.05698	3.7
265.05035	6.5
266.05899	18.3
267.06604	13.8
267.13928	14.5
268.07379	20.9
268.14294	13.2
277.07382	8.1
281.08218	15.5
283.09805	20.6
285.15091	9.9
286.15366	13.2
293.04617	6.2
294.05273	13.8
309.07632	18.6
321.10120	3.6
327.08746	6.7
353.06622	54.1
401.12463	84.0
402.12860	11.4
445.11517	41.9
482.40686	3.8
507.28253	21.8
508.28345	22.6
509.29633	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	508.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57494	1.0
58.02978	4.6
59.01389	3.8
61.98832	2.5
65.22607	0.9
70.70088	1.6
71.01379	2.0
74.99099	3.4
80.45419	0.9
81.52727	0.9
82.03000	1.7
85.02947	1.9
92.05077	7.6
96.96019	2.7
100.92037	1.0
101.02436	1.1
102.05629	3.9
128.03569	12.3
135.05679	1.1
136.04100	1.2
139.05154	1.0
146.04608	3.1
147.05663	9.0
147.09294	2.0
173.07253	2.5
175.08821	1.0
176.09483	1.0
177.10306	2.1
178.13554	1.1
189.10454	1.8
191.05618	2.1
203.08263	1.4
204.11430	5.5
206.13141	1.3
223.05919	1.0
232.10954	6.6
232.14662	1.4
243.59135	1.0
247.12048	1.3
248.10529	4.5
250.12035	1.1
275.11353	1.1
276.09915	28.3
277.10330	2.2
284.10312	1.1
289.16617	1.3
302.11591	2.5
315.14645	2.0
317.16049	1.1
318.14590	1.7
333.15817	3.2
345.37796	0.9
361.15234	6.6
375.70132	1.0
377.10349	0.7
377.14716	12.4
379.16162	1.1
387.13156	2.9
405.14169	100.0
406.14465	6.8
449.13284	1.3
509.13049	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	509.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	23.5
59.01384	31.7
61.98825	7.7
71.01398	13.7
71.54288	4.7
78.45673	2.3
80.96510	3.6
83.01393	3.2
85.02922	6.1
85.65630	2.5
87.00876	4.6
89.02444	4.7
90.98596	30.8
93.03455	24.1
94.78551	3.0
96.96024	6.6
99.04523	9.3
101.02439	9.3
102.65502	2.1
108.02191	6.2
109.02965	5.0
109.79177	2.1
111.04523	4.1
113.02415	4.9
121.02983	3.1
123.04557	3.4
125.02460	4.5
128.03569	6.1
133.02937	7.8
134.03772	2.6
135.04497	11.1
137.02467	7.9
145.07741	38.4
146.04622	2.5
147.00899	9.7
152.01212	6.1
153.01912	9.6
153.09111	2.3
155.03546	3.3
161.02487	23.0
161.04526	7.3
162.03270	23.7
167.03429	6.0
173.04562	42.7
177.01944	43.2
177.05551	28.2
178.00867	2.7
179.01837	5.4
179.03484	19.0
188.08325	20.5
191.05626	38.7
192.04320	12.7
194.05745	5.3
195.01254	21.1
196.01935	4.9
207.01247	11.8
207.06656	7.5
209.08067	3.1
210.03589	32.9
211.04301	7.7
213.29570	2.5
214.09911	20.9
222.03497	11.7
225.05928	100.0
226.06174	3.4
237.05804	5.1
250.43655	2.5
253.09348	10.3
256.10950	10.5
273.17126	48.2
285.03958	6.5
287.16605	3.1
304.13193	18.3
322.14081	57.9
323.14255	3.3
335.07617	3.4
347.10559	10.2
347.60550	3.1
429.06256	9.7
447.09250	3.0
466.17676	3.3
509.15948	4.7
509.22754	4.6
509.29813	5.8
521.16693	3.9
527.65887	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	509.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06180	0.6
59.93032	0.7
60.58570	0.6
69.36259	0.6
70.25789	1.7
74.99375	0.8
82.02977	1.4
126.09255	1.2
128.03534	4.3
150.00519	1.1
150.01746	0.9
152.02028	1.4
166.00021	0.9
168.01543	100.0
168.39352	0.7
169.01697	5.7
177.01544	8.1
183.00227	2.4
186.02588	2.3
193.01048	2.0
195.02655	1.7
205.44341	0.8
208.04652	1.4
212.14754	0.7
217.04779	4.4
221.09413	4.0
227.00584	0.7
231.05096	2.8
233.04259	4.9
235.05769	9.2
239.08768	3.5
265.06680	13.4
266.07028	1.2
279.04742	64.0
280.04889	5.1
286.10681	0.8
288.12076	7.5
297.05774	3.3
332.11060	19.2
333.11356	1.7
350.12152	9.3
385.17511	2.1
394.11057	4.5
403.18369	7.0
404.18826	1.0
421.19489	20.7
422.20016	2.5
429.16376	1.1
447.17520	3.6
465.18481	12.2
465.25159	0.8
466.18933	1.8
473.15433	0.8
491.16595	1.7
509.17679	25.9
510.17874	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	509.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67839	3.0
57.03441	3.2
59.01386	100.0
67.01894	3.0
69.32646	2.6
71.01384	15.2
71.53942	2.7
71.54352	2.9
73.02932	8.4
74.99074	3.2
81.11784	2.9
83.01411	2.7
85.02951	12.2
87.00842	4.0
89.02435	8.4
101.02454	14.0
102.99533	3.0
113.02444	9.0
122.69019	3.0
161.04628	4.1
173.04547	3.3
191.05624	18.6
197.11864	7.2
286.78668	2.9
297.42447	3.0
369.19189	5.9
387.20334	21.7
429.21509	5.7
477.20038	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	509.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73261	1.3
57.03455	2.0
59.01389	9.4
64.77056	1.2
67.01891	3.6
70.43559	2.0
70.43941	2.3
71.01397	3.2
75.23798	1.2
78.95933	1.5
80.02695	1.5
81.03464	3.5
83.05033	12.7
84.02213	1.9
87.00900	2.1
93.03461	20.5
95.05053	3.1
97.02978	5.0
97.06628	2.2
107.05015	1.3
109.02962	3.1
109.06606	18.4
110.03780	1.7
111.04549	12.7
121.06592	1.5
123.08167	2.1
125.09740	6.2
134.03743	1.5
134.82640	1.3
135.04578	2.3
135.08174	2.5
136.05312	1.7
142.02736	1.4
151.00438	1.4
163.11298	15.7
165.12823	4.1
171.10277	27.0
173.04591	11.1
181.12361	4.5
185.11876	9.3
189.09024	1.5
201.11334	3.2
207.10284	44.5
209.11850	100.0
210.12198	5.1
210.49609	1.3
213.09113	1.7
217.12302	4.1
219.10359	2.4
221.11818	2.1
223.13454	3.7
225.11351	19.9
227.12903	10.7
229.12257	1.5
231.10233	1.7
235.13385	1.8
237.11609	1.4
245.11815	2.5
247.13359	3.1
249.11351	3.5
251.12964	1.6
263.12866	6.2
281.14127	6.2
285.04202	1.6
299.15045	7.1
305.14240	1.7
310.03021	3.5
319.15533	2.0
337.16528	3.0
367.10065	2.3
373.23834	3.6
392.03241	1.7
399.21909	5.2
410.73566	1.3
417.22864	3.2
435.24020	1.9
447.23544	1.8
465.24701	5.3
473.25528	15.2
474.25922	2.3
491.19327	7.7
491.26550	17.7
509.18790	8.9
509.27536	44.5
510.27600	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	509.2885
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
52.60458	0.6
53.61492	0.6
59.85044	0.5
78.95910	19.0
90.33590	0.6
93.32883	0.6
98.20280	4.3
121.97106	0.8
138.74805	0.6
152.99603	30.6
171.00655	1.5
173.18633	0.6
177.52034	0.7
227.03230	3.5
245.04353	1.8
253.21573	0.7
267.41852	0.7
281.24869	100.0
282.25189	6.7
509.28851	51.4
510.29248	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58130	0.6
56.74355	0.5
59.01383	2.6
61.98833	8.6
76.57133	0.6
107.01384	1.4
133.02982	2.5
149.02481	1.0
151.00363	2.7
175.04033	0.7
191.05615	1.1
199.38368	0.6
200.04829	0.8
209.52963	0.6
227.03371	1.2
255.02831	0.7
256.03690	1.8
269.04776	0.6
284.00024	1.1
284.03281	46.0
285.04062	94.7
286.04504	4.5
299.05557	0.6
342.08615	0.6
428.91125	0.6
447.09329	100.0
448.09717	8.9
451.32910	2.7
457.58124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01159	0.7
59.01387	7.8
60.33587	0.8
61.98836	47.0
68.99814	1.8
71.01389	4.5
71.54482	0.9
73.02950	2.2
77.20278	0.9
83.01408	1.4
83.40229	0.9
85.02953	2.8
87.00883	1.2
89.02422	0.9
89.03973	0.9
93.03452	3.6
95.05032	1.5
96.96021	4.1
98.84402	1.0
101.02456	3.2
104.40983	0.9
105.03458	3.2
105.47414	0.9
107.01379	1.3
109.02942	1.0
113.02441	1.4
116.30130	0.8
119.05020	1.2
123.04506	1.0
133.02968	26.3
135.04514	2.6
137.02440	2.4
145.02931	1.7
149.02434	1.4
151.00386	4.1
152.01190	1.1
156.70834	1.0
158.03743	1.0
159.04459	2.8
161.02437	4.3
167.03595	1.0
170.08246	13.7
172.05304	2.9
173.04649	3.9
173.05830	1.1
175.04025	1.5
177.01952	12.4
178.02684	1.2
179.03523	2.3
187.07655	22.9
189.05591	3.1
191.05560	6.8
199.03957	1.6
200.04739	1.6
201.01796	1.0
201.05496	0.9
202.02716	2.2
203.03168	1.4
213.09167	1.8
215.07178	5.1
227.03473	2.0
228.04356	1.2
229.08632	1.1
231.04607	0.9
231.06509	5.1
231.10193	2.1
257.05646	1.3
257.08203	12.6
284.03333	6.4
285.04071	100.0
286.04471	6.0
287.09302	2.0
332.13394	1.5
335.08087	1.2
348.07397	2.1
399.09113	0.9
414.11490	2.8
447.09378	22.2
448.09598	1.3
467.15646	22.9
478.16550	1.0
498.88031	1.0
509.20963	1.0
509.29721	2.1
510.21558	1.4
510.29144	1.3
511.18390	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	511.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
65.44563	0.7
67.17027	0.9
68.89749	0.8
78.95924	7.6
79.95764	3.9
86.62264	0.7
92.26067	0.7
93.03416	0.8
96.96022	100.0
96.96925	8.7
98.20785	1.6
99.37280	0.8
112.12492	0.7
134.03773	0.7
135.04471	0.7
145.02951	1.1
158.59726	0.8
167.71161	0.8
191.05646	2.8
208.76605	0.7
209.11833	1.5
230.99695	5.3
234.99234	1.2
275.99426	4.8
312.00998	0.8
316.70285	0.8
324.87534	0.8
413.12476	1.8
436.04758	1.2
496.06766	4.1
511.09311	9.5
511.16223	1.4
512.09741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
61.98836	14.8
62.59641	1.8
71.01391	4.4
74.32863	1.5
78.95910	3.7
79.95749	3.7
80.44523	1.7
83.05015	1.6
85.02955	4.5
87.00912	1.8
93.03475	10.3
96.96022	100.0
96.96996	5.6
98.19908	4.7
101.02423	2.1
111.04440	2.2
117.03501	1.5
119.05038	3.3
133.02975	4.7
134.03680	1.9
135.04544	6.1
137.02477	3.4
145.02956	1.9
151.00337	1.7
161.02428	2.8
163.03983	2.6
171.04546	1.5
171.10309	6.5
173.04543	4.9
173.06038	3.0
178.02791	1.8
179.03481	2.1
191.05624	21.5
192.05875	1.6
197.11807	1.8
201.05583	3.3
209.11850	24.7
215.07198	3.7
218.99939	1.7
219.06697	2.6
227.12860	1.8
229.21455	1.6
230.99770	7.5
247.13293	2.0
251.09290	1.7
275.99472	8.1
285.20682	2.3
314.99612	1.9
316.00461	4.5
370.10657	2.5
431.08200	2.7
447.26028	7.1
448.26089	5.5
479.06580	1.6
496.06964	6.2
511.09113	11.7
511.16232	3.0
512.09784	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	511.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27411	0.2
52.63274	0.2
59.01383	1.5
60.99324	0.3
61.98824	0.8
67.01900	0.2
71.01374	1.0
71.54420	0.3
73.02958	0.4
79.95745	3.6
82.95454	0.2
83.01418	0.3
85.02963	0.8
87.00863	0.3
93.03469	1.1
95.95284	0.2
96.96023	100.0
97.09893	0.2
97.95944	0.3
99.00871	0.3
101.02425	0.2
102.05580	0.3
105.03464	0.3
107.01411	0.3
109.02946	0.2
110.97593	3.3
112.27920	0.2
113.02494	0.4
123.00867	0.3
123.04521	0.3
124.01662	0.5
128.03560	0.3
132.02135	0.3
133.02972	2.0
134.03758	0.6
135.04579	1.2
137.02455	1.0
142.06546	0.2
148.05287	0.5
149.02509	0.2
149.06010	0.3
151.00375	0.4
152.98610	0.5
161.02460	1.8
166.02740	0.4
166.99858	0.4
170.75867	0.2
173.04572	1.0
173.06003	0.2
175.04021	0.3
176.04819	0.3
177.02003	0.5
178.02631	0.5
179.03520	0.8
181.05074	0.3
187.07729	0.4
191.05602	2.9
193.05038	0.5
205.05174	0.3
221.04549	0.2
235.06235	0.3
241.00256	6.9
253.07256	0.5
257.08258	0.4
263.18634	0.2
269.04575	3.4
270.05005	0.3
284.03192	0.3
285.04080	1.0
286.04337	1.1
295.55859	0.2
357.13510	0.5
379.11859	0.4
400.62320	0.2
414.11703	2.4
448.10062	0.9
510.30261	0.6
511.09457	20.4
511.18280	2.0
512.09790	2.2
512.17358	0.3
512.98456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73536	0.5
59.01380	2.9
61.98848	0.7
70.71796	1.6
71.01389	1.1
71.34875	0.5
77.04000	0.6
79.95750	8.6
80.96040	0.7
80.96520	14.4
85.02962	1.4
93.03487	3.3
95.05024	0.9
95.95242	15.9
96.96023	100.0
105.03465	0.8
108.02171	1.0
109.02944	0.9
111.04589	0.6
121.02934	1.4
123.00922	0.8
123.04557	1.2
132.31897	0.6
133.02995	4.7
134.03754	2.7
135.04524	2.5
137.02484	3.7
138.03270	0.8
139.04060	1.1
148.05330	2.2
149.02463	4.7
150.03232	0.7
151.00368	0.8
151.04079	0.5
152.01169	2.6
153.05588	1.6
159.53716	0.5
160.01622	0.7
161.02438	4.2
164.04846	1.7
165.01932	8.8
165.05554	0.7
166.99817	0.6
167.03494	3.2
169.01489	1.2
173.04544	2.2
177.01953	30.8
178.02725	2.8
179.03531	1.6
180.04295	12.1
191.03468	0.7
191.05618	3.1
192.04309	35.2
193.01450	1.7
193.04730	1.7
195.06647	18.7
207.06636	34.2
208.03795	1.2
208.06967	1.7
223.06094	3.3
229.08751	0.7
235.06122	0.8
244.00438	0.6
245.01085	0.7
252.06456	0.6
253.07272	3.2
257.08200	0.9
275.02341	51.0
276.02740	2.0
281.06696	0.7
303.01752	4.7
335.07788	0.7
413.17764	0.8
414.11673	12.6
511.09326	1.7
511.18097	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	511.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50686	0.4
51.63201	0.4
52.74924	0.4
55.29481	0.4
57.03448	3.0
59.01390	5.3
61.98843	1.6
67.01875	0.5
71.01391	1.6
73.02934	0.7
78.95905	0.6
79.95751	3.6
85.02961	1.8
87.00885	0.7
89.02473	0.7
93.03445	2.1
96.96023	100.0
99.04554	2.2
101.02467	2.4
108.02159	2.1
109.02982	0.7
113.02480	0.8
114.93412	1.9
121.46459	0.4
123.04543	1.0
125.02496	1.1
133.02956	2.2
135.04543	0.8
137.02437	0.6
151.00255	0.5
151.72664	0.4
152.01173	4.0
161.02464	1.1
161.04521	0.7
162.06889	1.1
163.07803	0.6
167.03520	9.0
173.04588	1.4
177.01900	1.2
179.03506	0.8
187.07643	2.3
190.06245	0.5
191.05624	9.4
204.07887	1.4
205.08723	5.3
206.09171	0.4
213.09280	0.9
215.07130	4.2
215.92767	0.4
229.08551	0.6
231.06534	0.8
231.10211	1.1
241.00330	0.5
257.08212	3.0
284.03333	1.6
285.03903	5.4
286.04395	4.4
309.10001	0.5
329.05603	0.6
367.07297	1.1
368.91571	0.4
377.09802	1.0
413.14645	0.7
427.09558	0.5
447.09442	0.5
448.09723	8.7
449.09610	0.8
451.32990	0.9
467.15686	1.8
511.10355	0.7
511.18271	4.5
511.25424	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	511.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90970	1.0
59.01388	13.2
61.98824	2.6
68.99812	3.9
69.19907	1.4
69.20299	7.9
71.01386	8.2
73.02948	2.0
83.05041	1.6
85.02954	4.6
89.02455	2.9
91.58549	0.9
93.03467	2.3
96.32389	1.0
96.96016	6.2
101.02444	6.7
108.01486	1.4
108.02187	24.1
109.02949	3.9
113.02405	2.5
123.04530	11.2
125.02403	1.2
133.02922	1.6
134.03603	1.1
135.04517	1.4
137.02457	1.7
146.03903	1.0
149.47639	1.0
151.00429	1.4
152.01164	53.4
153.01979	1.7
159.04547	3.1
161.02414	2.3
161.04604	2.2
167.03508	100.0
168.03781	3.7
169.01416	1.9
172.05299	10.6
173.04504	3.6
173.05981	2.3
175.04054	2.1
177.01924	1.5
183.04466	2.7
185.06062	2.6
186.03271	1.2
186.06792	1.1
187.04150	4.9
187.07664	72.7
188.07988	2.5
189.05556	6.7
191.05634	6.9
195.10481	0.9
199.03882	2.2
200.04808	5.2
201.05574	4.3
202.06325	2.9
204.04379	1.6
211.07629	1.2
213.09209	6.4
213.70140	1.1
215.07161	13.3
216.07854	1.0
227.03482	4.1
228.04373	4.8
229.08679	4.8
231.06639	28.6
231.10075	5.6
241.00339	5.2
253.09340	1.6
257.05719	1.9
257.08240	32.8
269.04559	2.2
271.07773	1.0
275.09238	2.8
285.03775	2.8
286.04242	3.6
287.09277	6.3
295.05963	1.3
305.09842	1.2
356.48569	1.0
411.12997	1.2
448.09634	5.2
467.15622	71.1
468.15924	6.8
493.16931	8.8
511.05887	1.3
511.18176	22.3
511.25421	7.1
512.18658	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	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05762	0.8
54.96595	0.9
57.03454	1.0
59.01387	7.6
61.98844	3.0
71.01373	4.8
71.54832	1.3
73.02967	1.4
79.95744	7.0
80.96519	11.9
83.01422	1.0
85.02965	2.4
87.00885	1.9
87.04523	6.5
89.02419	0.9
93.03455	6.5
95.01439	1.3
95.05034	0.9
95.57004	0.8
95.95235	13.0
96.91917	0.7
96.96024	100.0
97.02962	0.8
97.96022	0.9
99.04557	0.9
101.02409	4.0
105.03480	1.8
108.02186	29.6
109.02965	1.5
113.02479	1.2
119.05009	1.1
121.02957	1.4
123.00945	2.1
123.04542	13.7
125.02460	2.0
128.03494	1.4
133.02983	10.4
134.03773	5.8
135.04564	7.5
137.02443	5.8
137.09746	4.7
139.04024	1.7
139.07640	1.3
148.05367	3.1
149.02444	4.4
151.00403	1.4
152.01170	63.1
153.01535	1.1
153.05553	1.3
155.10796	22.8
155.12085	1.3
160.01671	1.9
161.02496	7.8
161.06058	1.4
162.02982	1.0
163.04004	1.0
164.04832	1.3
165.01965	7.9
167.03511	91.6
168.03880	3.8
169.12343	0.9
173.04581	8.2
177.01956	32.9
177.05418	1.2
178.02635	3.8
179.03563	3.9
179.10785	2.4
180.04292	13.5
181.08728	2.8
182.02258	1.1
191.05626	11.5
191.10815	1.7
192.04311	34.1
193.04893	1.0
195.06659	20.1
195.10309	1.8
199.09767	29.0
200.10034	1.3
207.06628	30.7
208.03824	1.1
208.07028	1.0
213.11348	1.2
215.07224	1.1
221.04579	1.6
223.06131	3.4
223.09914	1.1
225.11392	1.2
229.08730	1.4
235.06148	1.2
240.79756	1.0
241.10867	8.0
251.05678	1.1
253.07190	7.7
253.10780	1.2
255.12328	2.1
257.08337	2.0
257.56049	0.9
266.93158	0.9
275.02344	48.1
276.02628	2.1
281.06677	1.9
283.11862	14.9
285.04080	1.2
295.08234	0.9
297.12442	1.5
303.01880	3.7
343.13977	5.5
344.14154	1.1
414.11691	27.8
414.17245	1.3
415.12128	2.3
436.18756	1.0
450.21088	0.9
459.37964	0.9
474.35873	0.8
479.15887	1.0
480.17642	1.9
511.10434	1.5
511.18188	10.0
512.19220	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	511.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13837	0.5
55.47614	0.6
57.03440	0.5
59.01379	1.6
63.88259	0.5
67.04784	0.5
69.29008	1.7
69.29427	3.1
71.01391	1.4
71.50749	0.5
80.02682	0.8
81.03467	1.7
83.05038	6.7
84.02174	0.9
93.03470	4.0
95.05046	0.7
97.06596	0.9
98.55928	0.5
109.06606	0.8
111.04564	0.6
111.23738	0.6
123.08172	1.3
125.09755	2.7
133.02965	1.3
135.04550	0.6
135.08194	1.8
149.09723	1.3
163.11285	3.9
165.12863	2.6
171.10284	29.2
172.10628	1.0
173.04555	1.0
179.03560	0.8
181.12355	1.1
185.11850	2.0
191.05565	3.1
191.10817	0.9
203.14444	0.6
205.12338	0.7
207.10335	0.7
209.11848	100.0
210.12227	4.6
211.34450	0.6
221.11850	1.2
223.13400	2.2
227.12897	9.4
229.12349	0.8
231.13972	0.9
247.13438	9.5
249.15099	0.8
265.14453	2.3
314.82544	0.5
339.17950	0.7
374.06326	1.5
375.21661	1.4
375.25693	1.2
391.24762	0.6
401.23322	1.7
414.09668	0.9
419.24539	1.7
431.24203	0.7
437.25586	0.9
449.25500	2.4
457.26355	0.7
475.27020	4.2
493.27618	2.6
511.17520	0.8
511.29126	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	513.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24554	0.3
59.01382	1.2
61.98832	0.5
69.38421	2.5
73.02943	0.4
78.31283	0.3
79.95739	8.8
80.96523	7.6
80.96968	0.6
85.02963	0.7
87.00872	0.4
93.03445	0.9
95.95242	32.3
96.96020	100.0
98.95599	0.6
112.98754	0.3
120.66386	0.3
133.02939	0.5
135.04501	0.7
137.02498	0.4
138.03206	1.0
139.03935	0.3
149.02419	0.5
151.04013	0.9
153.05568	1.3
161.02455	5.2
164.04822	0.7
165.01952	5.2
165.05598	0.5
168.04335	0.4
168.12984	0.3
173.04568	0.7
176.04834	3.4
179.03529	5.1
180.04306	7.3
191.04108	0.4
191.05634	2.9
191.07205	1.2
192.04210	0.3
193.01471	0.8
194.05849	3.8
195.06639	9.9
196.06795	0.4
205.14159	0.3
208.03798	1.9
209.08173	5.0
223.06157	2.7
244.00464	0.5
245.01169	0.5
275.02335	24.3
276.02542	1.2
303.01797	3.7
353.75919	0.4
433.14993	1.2
513.10736	5.3
513.17902	0.5
513.26892	0.5
514.11005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46325	0.3
51.89128	0.4
56.38127	0.3
66.68712	0.3
68.99807	0.5
69.18483	3.3
79.95737	8.2
80.96523	8.3
80.96969	0.7
81.42889	0.3
88.16129	0.3
95.95242	30.7
96.96020	100.0
98.20754	0.6
110.97565	0.4
121.02938	0.5
123.00875	0.5
138.03256	0.5
139.00406	0.4
149.02438	0.9
151.04008	1.4
153.05576	1.0
161.02455	3.9
164.04825	0.7
165.01959	4.9
166.98599	0.4
176.04747	2.5
177.01949	2.1
179.01953	0.4
179.03500	7.2
180.04276	8.7
191.07179	0.8
192.04318	2.8
193.01396	0.7
194.05843	7.4
195.06647	12.8
196.07100	0.4
207.06650	3.7
208.03769	1.8
209.08203	6.9
223.06145	3.4
244.00488	0.6
245.01198	0.4
253.30499	0.5
275.02335	29.4
276.02667	1.3
303.01840	3.9
433.15045	1.4
513.10730	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	513.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31853	0.8
56.62292	0.7
59.01383	11.0
61.98838	1.2
63.96235	1.2
69.03458	0.9
71.01388	11.7
71.54424	1.1
72.99313	1.0
73.02969	3.2
77.95667	0.6
78.98606	5.1
79.95746	9.6
80.96526	53.6
81.03452	0.9
83.01405	0.7
85.02962	7.8
85.70116	0.6
87.00879	4.1
89.02466	2.9
93.03466	4.7
94.98095	13.0
95.01409	1.1
96.96030	13.2
97.02983	1.7
99.00874	0.9
99.04546	1.1
101.02468	6.0
106.98112	2.6
107.52876	0.6
109.10419	0.6
113.02470	2.9
119.03498	0.7
122.97607	1.9
123.00866	0.9
124.01637	1.0
125.02473	5.0
133.03004	1.7
134.97560	5.3
135.04526	1.3
136.99188	1.8
137.02475	0.9
139.04042	0.9
140.67961	0.7
143.03494	0.9
148.99130	4.2
149.99603	1.5
152.98645	4.0
161.02464	2.9
161.04636	1.2
164.98642	9.3
166.99956	1.3
167.03445	0.8
168.00656	2.2
173.04544	4.8
176.04047	1.0
177.02000	1.1
179.03528	1.8
179.05623	0.9
183.13986	0.7
191.05635	22.5
192.04381	0.8
192.06010	1.5
195.06641	0.6
195.13979	0.8
206.99693	2.3
207.06750	1.2
213.14944	2.0
225.00749	13.2
226.01170	0.8
252.85776	0.7
291.18179	1.9
299.04495	2.9
341.10986	1.5
416.12357	1.5
453.23666	4.5
513.20221	100.0
514.20490	8.9
514.27325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41217	0.2
70.55144	0.7
74.37923	0.3
75.03734	0.2
78.95915	3.3
82.91964	0.3
91.49909	0.3
94.47218	0.2
98.04652	0.3
98.20163	0.5
102.32500	0.3
116.48808	0.3
152.99588	5.7
191.05513	0.3
247.07703	0.4
248.08438	0.6
249.09143	1.0
250.10147	0.4
253.09309	0.5
261.09244	1.3
263.10715	3.2
277.21756	2.2
293.40729	0.3
348.19388	0.3
416.42062	0.3
431.21945	1.3
472.04770	0.3
479.16391	1.6
480.17288	0.7
485.20926	0.4
493.18054	5.3
494.18423	0.4
495.19708	19.8
496.19977	2.8
513.20728	100.0
514.21021	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	513.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52695	0.6
54.34566	0.7
61.98826	0.9
69.65276	0.7
71.53803	1.2
81.33855	0.7
133.28404	0.7
234.06857	2.8
234.10449	1.2
246.06781	1.3
247.07698	1.5
248.08417	2.7
249.09207	4.7
250.10022	13.5
251.10526	1.6
261.09229	13.3
262.09912	5.8
263.10782	25.6
264.11234	1.4
277.21790	1.3
321.48026	0.8
385.52365	0.7
478.15900	1.1
479.16476	1.5
480.17477	1.7
483.15723	1.1
493.18350	5.1
494.18216	0.8
495.19760	5.8
496.20273	0.9
497.18008	1.8
498.19034	1.0
513.20782	100.0
514.21155	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	513.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	1.0
59.01389	17.8
59.94933	0.8
71.01392	11.7
71.53788	1.1
72.99310	2.1
73.02952	1.5
80.91681	2.3
83.01357	1.1
85.02947	3.9
87.00874	1.3
89.02454	8.8
95.01410	1.3
101.02453	9.7
113.02441	4.8
119.03522	4.6
223.20651	5.6
232.05270	1.5
233.05901	1.2
235.07489	1.5
247.07582	4.2
248.08498	4.8
249.08980	1.1
251.20074	3.5
263.10516	1.4
265.12219	1.4
265.21661	1.8
269.21240	40.8
270.21576	2.3
277.21759	1.1
351.20288	3.3
431.26526	100.0
432.26874	7.6
451.16885	1.9
453.24457	9.4
454.24921	1.3
477.14868	2.2
478.15189	1.2
479.16409	7.7
480.16931	5.2
481.17975	9.5
493.17902	1.1
495.19675	18.3
496.20001	1.0
497.17606	16.0
497.24481	1.3
498.18414	17.9
499.19034	1.5
513.20465	50.1
514.20697	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	513.2709
Annotation	Tricalysioside H
Peak:m/z	Relative Intensity
55.01883	5.9
57.66483	0.4
58.00602	4.1
59.01385	90.4
60.01743	0.9
61.98838	0.6
70.71655	0.9
71.01389	100.0
72.01750	0.7
72.99303	4.7
73.02951	19.6
75.00883	0.8
79.95743	0.5
83.01398	11.7
83.77670	0.4
84.02173	1.1
85.02958	32.6
87.00880	6.4
89.02454	63.0
90.02785	0.9
93.03474	1.8
95.01395	6.5
96.96020	14.1
97.02963	1.8
97.95964	0.5
99.00892	7.8
101.02454	70.2
102.02837	0.7
107.17860	0.5
111.00901	0.8
113.02461	42.4
114.02757	1.1
115.03995	0.4
119.03517	27.7
125.02463	1.9
129.01999	1.0
131.03519	2.8
133.03012	0.7
134.03743	0.7
135.04492	0.5
137.02466	0.6
143.03519	8.2
149.04573	3.0
159.03024	5.2
161.04568	32.8
162.05003	0.5
173.04564	1.2
179.05621	20.2
187.17973	0.5
191.05618	5.8
193.04985	0.6
205.03520	0.8
226.06296	2.4
241.08720	3.8
243.17644	0.5
243.68501	0.5
247.18321	0.5
285.18622	1.1
289.18118	0.7
291.19778	1.9
293.17349	0.5
297.03775	0.6
301.18149	1.1
303.19659	16.4
304.20053	1.1
313.07217	0.8
319.19244	1.0
321.04068	1.0
321.20728	36.9
322.21143	2.6
333.20770	3.5
351.21786	68.9
352.22144	6.3
379.08105	1.2
395.20520	0.5
475.12766	0.7
483.26010	2.9
513.27063	89.5
514.27466	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	513.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
57.03461	0.2
58.00369	0.1
58.00592	0.3
59.01386	6.7
60.01731	0.1
62.99242	0.1
68.94364	0.0
69.03478	0.1
69.12417	0.1
69.96744	0.1
71.01389	4.6
72.99319	0.3
73.02955	1.1
75.00891	0.1
81.03484	0.1
83.01391	0.5
83.05048	0.2
85.02960	1.2
87.00874	0.6
88.08910	0.1
89.02457	4.0
91.04031	0.2
91.18631	0.1
92.10459	0.1
93.03484	0.1
95.01396	0.4
97.02982	0.2
99.00909	0.2
99.04553	0.1
101.02454	4.6
103.04070	0.1
113.02467	2.2
115.04015	0.1
119.03519	0.9
125.02470	0.2
127.07722	0.3
131.03563	0.2
133.05095	0.4
141.09236	0.1
143.03526	0.5
157.05113	0.2
159.07924	0.1
161.04575	1.6
179.05592	0.6
187.06210	0.1
205.19554	0.1
233.22818	0.4
235.08229	1.1
253.09311	15.7
254.09763	0.5
259.20657	0.4
275.20102	0.3
277.21738	100.0
278.22089	6.9
278.25290	0.1
396.38525	0.1
513.20782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16944	0.1
55.01883	0.4
57.03440	0.1
58.00599	0.2
59.01385	6.3
60.73293	0.1
69.03459	0.1
70.12848	0.2
71.01389	4.7
72.99310	0.4
73.02953	1.0
78.95950	0.1
81.03458	0.1
83.01392	0.7
83.05036	0.1
85.02956	1.0
87.00877	0.6
89.02456	3.5
91.03993	0.1
95.01385	0.4
97.02972	0.1
97.06581	0.1
99.00896	0.2
99.04581	0.1
101.02453	4.3
103.04039	0.1
113.02468	2.2
113.06025	0.1
115.04026	0.1
119.03516	0.9
125.02489	0.2
125.81238	0.1
127.07710	0.2
127.14285	0.1
129.01932	0.1
131.03532	0.2
133.05101	0.3
141.09171	0.1
143.03514	0.4
144.08302	0.1
152.99594	0.1
157.05080	0.1
161.04570	1.6
179.05627	0.6
182.13190	0.1
205.19646	0.1
233.22699	0.2
235.08261	1.1
253.09308	15.3
254.09717	0.4
259.20645	0.3
275.20190	0.3
277.21738	100.0
278.22083	6.7
278.25317	0.1
337.84793	0.1
439.88556	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	514.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.9
61.98796	0.6
71.01395	0.5
77.75466	0.5
78.95913	18.9
81.06551	0.5
96.82702	0.5
98.19925	0.8
152.99629	2.7
168.04292	1.7
200.00659	0.5
221.19104	0.8
224.06955	8.8
239.20178	100.0
240.20552	4.7
242.08018	2.5
281.36993	0.5
284.13757	0.5
328.58246	0.4
354.61578	0.5
464.27847	64.1
465.28256	4.0
514.21033	2.8
515.22302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60081	0.4
58.02986	3.4
59.01389	3.8
61.98835	3.4
67.01879	0.5
71.01386	2.2
73.02969	0.8
73.04066	2.8
74.02482	17.0
78.39695	0.5
78.95918	0.8
79.95741	1.5
82.06631	0.9
85.02956	1.6
87.00890	1.0
87.05647	3.8
88.04028	0.9
93.03470	3.3
95.95204	0.8
96.96022	31.0
97.04076	0.8
98.02476	1.9
101.02441	1.2
101.07166	0.7
102.05622	1.6
108.02303	0.5
109.02943	1.0
111.04516	0.7
112.02797	0.8
112.07729	0.6
114.93387	0.7
115.05127	2.6
116.03563	0.7
125.03499	0.5
125.38061	0.5
126.09249	1.8
128.03561	1.4
129.10362	12.2
130.08751	2.6
133.02975	0.6
135.04562	3.3
137.02458	0.9
140.07202	1.5
143.10864	0.9
143.11905	10.0
146.04573	0.9
151.08797	2.1
152.07182	1.0
153.01875	0.8
153.05437	2.0
153.10362	3.3
155.11906	1.5
157.13556	0.5
161.02441	2.0
161.04601	0.8
165.10280	0.6
166.08798	0.9
167.11911	0.7
168.11436	9.2
169.09845	2.7
173.04552	4.8
179.03519	2.4
179.11958	2.4
183.11397	3.8
186.12469	5.3
187.10928	3.6
191.05630	11.0
192.05951	1.3
200.13991	2.1
210.12500	27.7
211.10890	1.0
211.12764	1.1
214.15630	19.4
215.15848	0.8
225.11258	0.9
228.13524	14.0
229.13908	0.5
239.15181	0.6
258.14575	1.4
298.03897	0.6
299.17166	0.9
327.24036	8.0
353.08847	1.7
371.22928	1.7
384.26224	2.0
426.27200	1.5
428.25192	0.6
470.26233	100.0
471.26614	9.5
496.27325	1.5
514.17920	0.9
514.28619	16.9
515.11884	0.7
515.18329	0.8
515.28595	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	515.1203
Annotation	Isochlorogenic acid A
Peak:m/z	Relative Intensity
57.01764	0.9
59.01384	16.8
60.04448	0.9
61.98839	2.7
62.71075	0.9
67.01884	1.3
71.01388	6.6
73.02949	1.8
73.08537	1.0
83.01385	1.1
85.02938	6.4
87.00885	2.2
89.02448	2.6
89.03981	2.7
93.03452	11.1
95.95216	1.2
96.96024	13.8
98.20757	2.5
98.95612	2.2
101.02442	2.7
102.05627	1.9
105.03518	2.4
109.02935	1.8
111.04531	2.8
113.02461	3.8
117.03457	8.2
119.05037	4.5
121.02962	1.6
127.04080	1.4
128.03540	6.2
132.02213	6.9
133.02983	18.6
134.03757	100.0
135.04587	11.3
136.01671	2.4
137.02477	5.0
145.02977	2.9
147.04514	4.1
148.05301	2.1
149.06075	9.2
153.05527	1.5
159.04535	2.7
160.01682	24.8
160.05344	2.0
161.02466	13.6
161.06064	1.6
162.03189	6.7
163.04036	3.7
165.01955	1.2
173.04567	16.8
175.04005	16.8
176.04840	1.3
177.01942	4.6
178.02713	2.6
179.03485	6.8
188.01227	2.1
191.05627	60.7
192.05959	2.7
193.05070	52.1
194.05443	2.0
194.82077	1.1
203.03529	2.2
207.06679	2.4
221.04652	5.2
229.41786	1.2
234.05383	4.4
235.06157	3.1
249.07715	4.0
252.06285	1.6
262.04813	4.2
263.05649	2.4
267.08871	1.2
268.03629	2.2
277.07257	6.6
285.04193	1.2
323.13272	1.1
325.14813	1.1
327.21793	4.7
327.37912	1.2
335.07941	2.3
343.15439	1.0
353.09396	2.1
371.24356	1.7
387.23691	2.3
413.18222	3.0
413.68225	1.9
428.11121	2.7
434.18665	4.1
434.69421	1.6
443.13486	38.4
444.13666	1.7
455.10019	1.3
456.10486	2.1
457.23270	1.1
469.11295	3.2
471.12991	83.1
472.13318	8.6
497.11002	2.6
515.12183	10.0
515.18970	1.7
515.28491	3.8
516.12891	1.2
516.28204	13.4
533.29913	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	515.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01387	10.1
61.98836	6.8
69.32462	4.8
69.32887	3.5
71.01387	4.2
71.83199	1.0
73.02964	1.0
79.95753	7.0
81.03452	1.0
83.05069	0.9
85.02953	5.6
87.00869	1.8
89.02459	2.4
93.03468	7.9
95.95249	7.5
96.96025	100.0
99.00930	0.9
101.02436	1.7
102.05634	1.1
109.02964	3.9
111.04529	2.3
113.02448	1.5
116.92860	2.7
121.58146	1.1
122.97575	1.8
128.03526	3.1
133.02940	4.0
134.03732	2.4
135.04549	24.5
137.02434	1.7
143.03534	1.1
151.04030	1.3
153.01923	4.2
155.03473	2.3
157.75436	1.0
161.02475	24.1
161.04510	1.4
165.01880	1.4
171.10251	1.8
173.04573	16.2
176.04814	8.7
177.01875	1.1
179.03526	34.3
180.04042	1.1
191.05637	49.8
191.07159	3.7
192.04359	1.2
192.06015	3.5
193.04967	1.4
194.05861	8.0
195.06636	1.3
209.08188	8.4
219.13181	1.1
225.11392	1.3
251.07202	1.9
271.06583	1.2
305.03360	4.2
323.05447	2.9
335.07544	1.3
353.08774	25.2
354.09039	1.1
461.20151	1.9
514.26880	1.3
515.12189	22.8
515.27484	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	515.123
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
51.37708	0.4
53.25753	0.4
54.08735	0.3
54.84287	0.3
55.11399	0.4
56.64794	0.3
58.58169	0.4
59.40654	0.4
64.52709	0.3
69.56519	0.3
71.04964	0.9
71.87059	0.3
73.38603	0.3
74.46655	0.3
79.95749	22.5
80.96532	0.5
91.23003	0.3
95.95245	10.0
96.96020	100.0
97.84397	0.5
110.97588	5.9
111.68911	0.4
124.01716	0.5
125.02444	0.7
131.02812	0.4
136.99124	0.5
137.02373	0.6
138.03220	0.6
141.95764	0.7
152.01184	0.5
161.02490	0.9
165.05634	0.5
166.02602	0.5
167.00238	2.0
167.03439	0.4
172.48250	0.3
176.04684	0.4
177.01999	0.6
179.03510	1.0
179.08612	0.4
181.05032	0.5
191.05505	0.4
191.07115	0.6
193.05124	1.1
194.05901	0.5
205.05014	0.5
209.08253	1.1
289.03894	1.6
302.50980	0.4
357.09586	0.6
361.06152	0.6
368.62161	0.4
375.10867	0.6
405.11935	1.3
429.08200	0.5
457.08325	0.6
485.07724	3.8
500.10126	3.0
515.12311	84.9
516.12604	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	515.123
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
54.56396	0.4
56.35559	0.4
57.20696	0.4
60.83274	0.4
61.98837	21.4
69.36720	2.6
69.37121	0.8
75.24292	0.5
79.95742	6.7
80.96532	1.7
94.98103	1.0
95.95242	7.9
96.96022	100.0
105.03475	0.9
122.97589	2.6
139.22319	0.5
151.04012	3.5
161.02457	10.2
162.02885	0.6
165.01950	1.3
176.04793	5.8
177.01926	0.7
179.03516	21.9
180.04158	1.4
191.07130	2.7
192.04352	1.0
193.05028	0.5
194.05859	16.9
195.06544	1.2
204.22272	0.4
209.08208	16.3
210.08478	0.8
225.07727	1.0
227.30161	0.5
288.03241	1.0
305.03357	7.2
329.25821	0.4
515.12360	14.6
516.12689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77352	0.3
57.95620	0.3
59.01380	1.9
61.07232	0.3
61.98842	1.6
63.24789	0.3
66.91891	0.3
69.43048	0.6
69.43452	2.0
71.01376	0.6
78.95922	0.4
79.95744	6.5
80.96516	1.2
84.92184	0.3
85.02959	0.9
93.03463	2.3
94.98083	0.6
95.95251	9.3
96.96021	100.0
101.02461	0.5
105.03458	0.8
110.97645	0.5
111.04583	0.8
111.55728	0.4
122.97597	2.6
128.03572	0.4
133.02997	1.6
135.04549	5.8
137.02435	0.5
147.04504	0.4
151.04045	2.3
155.03581	0.5
161.02463	14.3
162.02765	0.4
165.01947	1.3
173.04565	5.9
176.04799	10.3
176.06334	0.6
177.01871	0.5
179.03508	18.7
180.04066	1.1
191.05623	4.7
191.07227	2.7
192.04341	0.7
193.04965	0.6
193.18079	0.3
194.05861	11.1
195.06670	1.1
209.08202	11.5
210.08510	0.8
225.07709	1.1
236.93460	0.3
253.06973	0.3
288.03189	1.1
305.03381	5.9
305.06693	0.4
306.03680	0.5
315.10123	0.3
325.04092	0.4
327.75516	0.3
335.07843	0.7
353.08762	4.6
354.09341	0.4
371.40714	0.3
425.05762	0.3
489.80548	0.4
515.12335	19.7
516.12964	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	43.4
61.20057	1.6
67.69989	1.7
69.64313	9.6
71.01393	32.7
72.99322	1.6
73.02957	14.2
75.00927	2.4
83.05045	6.0
85.02948	10.5
87.00883	2.9
89.02457	38.9
89.44688	1.5
93.03465	39.6
99.00898	5.3
99.04550	4.1
101.02457	15.7
111.04547	15.6
112.98850	2.0
113.02445	11.4
119.03516	11.6
129.01984	4.0
131.03514	3.6
137.02451	11.6
139.46515	1.9
142.99893	8.5
143.03526	6.3
155.03548	4.8
161.04601	5.8
173.01041	2.5
173.04561	68.1
179.03531	1.9
179.04044	2.5
179.05608	22.4
191.05591	12.3
204.49356	1.5
214.64853	1.5
341.10907	100.0
342.11237	3.9
470.10510	2.0
473.63757	2.1
515.13916	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	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39877	0.4
57.03459	0.5
59.01385	1.0
67.01900	1.1
69.43063	3.3
71.01384	0.6
75.11121	0.4
75.56091	0.4
79.95751	1.2
83.05016	0.5
85.02964	9.0
87.00882	1.9
88.67579	0.4
93.03466	5.7
95.95242	0.7
96.96028	4.4
99.04549	0.6
109.02958	0.8
111.04529	1.8
113.02433	0.5
115.00383	0.4
117.03507	0.9
127.04013	2.4
132.02164	1.5
133.02965	7.4
135.04547	5.1
136.04938	0.4
160.01697	3.2
161.02458	46.3
162.02820	1.5
166.96829	0.4
171.03021	0.5
173.04558	2.1
179.03511	4.7
191.05626	100.0
192.05974	2.4
252.52086	0.4
323.07727	52.3
324.08124	2.0
341.08768	3.1
353.08713	3.1
515.13989	26.8
516.14539	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	515.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68629	0.5
53.42624	0.4
59.01374	2.1
60.99295	0.7
62.02416	0.4
65.06771	0.6
65.12495	0.5
67.01886	2.4
68.40392	0.5
69.03440	0.7
69.53316	2.9
71.01382	2.3
71.94537	0.5
73.02969	0.6
79.95744	12.3
81.03431	0.8
85.02949	5.3
86.58759	0.5
87.00878	3.5
87.53293	0.5
93.03470	17.4
94.03788	0.6
95.95231	4.4
96.96018	40.9
98.20602	1.0
107.50571	0.5
110.97558	3.1
111.04527	2.6
113.02468	1.0
127.03976	1.7
133.02943	1.7
134.03825	0.8
135.04529	17.2
136.04897	0.7
160.01588	0.6
161.02455	8.1
167.00140	0.7
173.04536	4.7
179.01927	0.6
179.03502	13.5
191.05621	100.0
192.04356	0.6
192.05978	2.0
220.83640	0.5
220.96208	0.5
289.03769	0.6
341.08533	0.7
353.08774	9.8
395.09818	3.4
397.72830	0.6
405.11880	0.7
485.07767	2.3
500.10062	1.4
515.13361	72.3
516.13647	6.7
516.77313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94838	0.7
59.01379	2.5
67.01899	3.7
67.75149	0.8
69.03456	1.1
70.69414	2.0
71.01381	3.8
79.95748	17.3
81.03486	1.4
85.02979	3.8
87.00903	1.2
89.02465	0.8
93.03470	23.7
94.03800	0.9
95.95246	5.4
96.96021	62.5
98.95598	1.1
109.02966	1.4
110.97605	4.2
111.00912	1.2
111.04540	4.9
113.02457	0.9
116.92858	2.1
127.04058	0.8
133.02960	1.3
134.03769	1.3
135.04543	79.2
136.04854	2.1
137.02466	5.0
155.03505	4.0
161.02463	6.2
167.00165	1.7
173.04568	51.3
174.04845	1.0
177.01974	0.7
179.03514	100.0
180.03865	3.3
181.05118	1.2
189.05597	1.0
191.05626	29.7
203.03635	0.9
323.07724	2.9
335.07632	0.8
341.08780	54.0
342.09103	2.2
353.08765	7.8
485.07880	1.6
490.37161	0.7
500.09885	1.5
515.13007	77.0
516.13373	5.3
535.07306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39764	0.3
54.86137	0.3
70.90685	0.4
70.91029	0.8
97.02741	0.4
221.09818	0.3
227.61653	0.4
234.06842	0.5
235.07594	0.5
248.08461	0.8
249.09181	2.2
250.09958	2.6
251.10789	0.5
263.10767	1.1
265.12375	2.6
287.19806	0.4
372.83643	0.4
393.61783	0.4
442.15839	0.4
453.18646	0.4
467.16205	0.3
481.17975	2.0
482.18793	1.7
493.18213	0.4
495.19702	6.5
496.20227	0.8
497.21255	25.6
498.21600	3.4
500.19739	0.7
515.22314	100.0
516.22644	14.1
533.18585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87233	0.5
59.19664	0.6
71.09059	1.4
71.37456	0.5
81.42635	0.6
98.20221	0.6
144.94290	0.6
148.23666	0.6
199.10852	0.7
217.65536	0.7
222.06841	2.2
234.06909	1.1
237.09224	1.3
248.08511	1.2
249.09222	6.2
250.10002	9.8
251.10684	2.4
262.09921	0.7
263.10800	3.6
264.11566	3.0
265.12402	6.4
416.59244	0.6
423.32504	0.7
479.16916	1.0
481.18311	1.2
482.18832	1.0
493.17966	1.0
495.19693	11.7
496.20328	1.4
497.21240	9.9
498.21869	1.2
515.22290	100.0
516.22601	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	515.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00671	6.1
69.75264	31.5
71.33636	6.5
74.02426	6.3
76.85237	6.6
85.55297	7.7
94.70853	5.9
128.03546	61.5
130.60271	6.7
131.45905	6.0
135.04482	8.0
150.46353	6.0
161.18329	7.0
179.03477	10.8
191.05608	28.8
195.11429	9.0
213.12453	100.0
257.11462	20.6
283.08807	6.2
366.52731	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	515.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17869	0.1
55.01888	0.3
57.03454	0.2
58.00601	0.2
59.01383	5.1
59.74282	0.1
63.95241	0.1
69.03465	0.2
70.58367	0.2
71.01388	4.0
71.09695	0.1
72.84338	0.1
72.99332	0.2
73.02947	1.0
73.36214	0.1
81.03474	0.1
83.01389	0.6
83.05052	0.1
85.02957	1.1
87.00907	0.6
89.02451	3.3
90.02742	0.1
91.04016	0.2
95.01407	0.3
97.02961	0.1
99.00893	0.2
101.02456	4.0
103.04024	0.1
113.02453	1.8
119.03510	0.9
125.02499	0.2
131.03496	0.1
133.05095	0.3
134.32207	0.1
137.36661	0.1
143.03534	0.3
149.04572	0.1
157.05115	0.2
161.04578	1.5
179.05582	0.5
191.55190	0.1
223.84076	0.1
235.08281	0.9
253.09302	14.6
254.09544	0.5
257.85641	0.1
261.22302	0.3
269.70520	0.1
279.23300	100.0
280.23639	6.5
282.71600	0.1
338.38080	0.1
358.99893	0.1
360.40558	0.1
515.32544	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.3
58.00639	0.1
59.01384	5.2
69.03470	0.1
70.71258	0.2
71.01387	4.5
72.99341	0.4
73.02951	1.0
73.50146	0.1
78.95932	0.1
83.01405	0.5
85.02950	1.0
87.00878	0.6
89.02450	3.4
91.04037	0.2
95.01429	0.3
97.02998	0.2
99.00906	0.2
101.02448	4.1
103.04008	0.1
111.72073	0.1
113.02453	1.9
113.03160	0.1
115.04088	0.2
119.03505	1.0
119.04199	0.1
125.02477	0.2
131.03532	0.2
133.05115	0.4
143.03508	0.4
152.99669	0.2
157.05144	0.2
161.04576	1.8
176.57016	0.1
179.05609	0.5
197.30956	0.1
235.08275	0.8
240.09642	0.1
253.09306	13.7
254.09566	0.5
261.22333	0.2
279.23297	100.0
280.23642	6.1
515.21600	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	0.3
70.16822	0.8
70.17209	0.7
106.04231	1.1
107.05025	1.0
121.02958	0.5
138.96155	0.3
163.11301	34.5
164.11688	1.6
171.10802	0.4
175.11292	1.9
176.11995	1.0
177.09166	0.5
177.12885	4.9
190.10027	1.0
207.10278	0.4
208.11069	3.7
225.00768	0.5
233.19937	0.3
281.15576	0.9
282.16263	4.1
283.17032	6.3
293.07150	0.5
293.15488	2.0
294.16223	0.5
339.23288	100.0
340.23593	7.7
349.21817	0.6
351.23285	6.9
352.23639	0.5
423.81900	0.4
515.35345	79.4
516.35693	10.2
542.94501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92413	0.8
54.70860	0.8
59.01371	3.4
71.01388	1.9
78.95911	16.8
80.94564	0.8
89.02454	1.0
98.20734	2.2
101.02473	1.7
133.84480	0.8
136.64113	0.7
152.99596	2.1
168.04283	2.4
217.16040	0.8
224.06941	6.8
241.21750	100.0
242.08023	1.1
242.22057	4.6
253.09323	1.7
254.09605	2.6
255.09830	5.4
256.09988	1.9
264.43372	0.7
277.21765	12.5
278.22073	30.2
279.22385	17.7
280.22678	14.5
466.29416	64.9
467.29681	5.3
536.02429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
61.98806	0.6
69.77128	0.5
70.74745	0.5
71.01388	1.6
71.53488	0.5
73.02961	1.2
93.03474	1.3
93.79561	0.5
101.02428	1.0
171.74791	0.5
173.04579	1.0
186.93893	0.6
191.05583	1.5
250.10057	0.6
296.12997	1.8
297.12985	0.6
372.78220	0.5
420.08469	1.0
443.16397	0.8
455.16989	0.9
465.14792	0.8
466.15680	0.9
469.18311	0.7
471.16104	1.2
479.16702	5.4
480.16760	1.4
481.18188	10.5
482.18652	1.5
497.17755	3.2
499.19202	6.7
500.19327	1.3
517.20251	100.0
518.20636	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	517.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.4
59.01383	20.3
71.01389	13.3
71.53507	3.7
73.02943	5.4
79.95745	13.5
81.95334	11.0
85.02965	7.0
87.00873	6.0
89.02454	8.4
93.03484	7.0
94.46889	3.1
95.95222	8.5
96.96025	94.3
97.94821	6.3
98.95603	63.5
98.96364	6.3
99.04503	4.1
101.02448	12.8
110.97594	3.0
112.97144	3.4
113.02451	3.9
116.92844	8.9
125.02421	3.4
155.83719	3.6
161.02406	5.7
161.04530	3.7
162.44058	2.9
173.04579	3.5
175.03928	5.5
176.04831	3.1
179.03500	3.7
181.05113	6.9
183.27570	3.7
189.05717	3.2
191.05626	13.6
193.04985	4.0
194.42967	3.5
201.11340	21.2
209.11832	72.1
210.12273	3.5
211.09747	10.1
227.12904	14.1
253.09335	28.7
265.12360	4.3
283.13327	4.6
305.09869	3.5
311.12833	5.6
437.20358	14.7
445.20700	10.3
463.21411	5.8
473.19595	3.5
487.08148	3.7
502.10443	4.2
517.12341	100.0
517.20551	32.6
518.12311	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	518.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41717	0.6
58.23717	0.6
59.01386	37.0
61.98837	100.0
69.43853	4.6
71.01394	8.8
73.02954	13.6
83.01403	3.6
85.02959	1.9
89.02459	3.6
93.03473	1.5
101.02453	13.8
111.89307	0.6
113.02464	7.2
119.03526	2.5
125.02429	0.8
131.03529	1.3
137.09760	2.7
143.03508	1.5
149.04578	2.8
152.01305	1.0
160.03107	0.7
161.04578	6.1
167.03548	1.2
173.04596	3.4
179.05611	0.7
191.05673	2.2
221.06703	1.3
306.22958	0.7
320.02176	0.6
518.30328	0.8
519.28363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13586	0.2
52.59872	0.2
59.01389	0.2
71.01682	0.5
78.95911	45.8
94.99144	0.2
96.96971	5.9
137.03763	0.2
150.98056	1.8
152.99599	100.0
153.99902	1.0
171.00655	4.1
172.29671	0.2
277.21805	0.8
372.74844	0.2
431.22043	20.3
432.22437	1.4
434.56042	0.2
518.25415	3.2
519.26691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.4
59.37635	2.3
61.98837	100.0
70.08521	2.0
70.20433	8.3
73.80584	1.9
78.46935	2.0
78.86143	2.1
78.95914	38.9
85.50455	2.1
93.25527	2.0
94.62640	1.9
96.96950	2.5
98.20608	2.5
136.18480	2.1
152.99599	61.0
157.21400	2.3
171.00630	3.9
178.98924	2.7
194.63823	2.2
205.69414	2.2
277.21906	2.3
308.63351	2.6
350.15158	2.3
431.21991	8.7
433.42270	2.3
437.73083	3.0
456.20551	2.6
475.22662	2.8
518.25476	2.9
519.27191	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	519.1181
Annotation	circumpyrene
Peak:m/z	Relative Intensity
55.66612	0.4
59.01398	0.9
70.24500	0.7
70.24898	0.8
79.95744	7.2
80.96522	1.4
91.96109	0.5
94.98080	0.9
95.95247	11.2
96.96023	100.0
98.19987	0.5
110.97581	0.4
122.97628	2.5
132.50247	0.4
137.02463	3.5
150.03230	1.2
150.21384	0.4
162.03235	0.8
163.04082	0.6
165.01950	30.2
165.05595	0.9
166.02264	1.0
177.05592	0.5
180.04300	19.8
181.04594	0.5
191.05701	0.5
195.06645	28.4
196.06998	1.4
237.05573	0.4
258.01926	0.9
275.02310	6.2
373.19617	0.5
519.11798	38.2
520.12109	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	519.1509
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
59.01384	47.6
60.01715	1.0
61.98830	5.1
65.00327	1.4
68.99849	0.6
69.22681	5.6
71.01383	2.6
73.02937	1.6
79.01895	0.8
81.03469	0.8
83.01394	1.9
85.02981	1.1
87.18484	0.7
89.02452	1.3
93.03458	3.6
95.01415	1.4
96.96017	1.9
97.02956	1.7
101.02434	1.2
107.01394	3.6
108.02226	1.0
109.02972	1.7
113.02463	2.0
119.05053	1.2
121.02948	3.3
123.00941	1.0
123.04541	0.8
125.02436	5.4
128.03502	1.3
133.02966	1.3
134.03758	1.2
135.00885	4.1
135.04556	4.4
136.01677	7.8
137.02457	2.6
138.03235	0.8
145.03032	0.8
149.02437	2.9
149.06110	1.8
149.99545	0.6
150.03223	3.7
151.00372	1.7
161.02446	2.3
163.00389	4.9
163.03984	1.0
164.01158	6.2
165.01898	3.2
166.02646	0.9
167.03441	0.7
173.04562	2.7
175.00293	1.3
175.03949	1.2
176.01105	0.7
177.01926	3.3
178.02695	3.7
179.03394	1.1
185.60971	0.6
187.03905	0.9
189.01907	1.2
189.05418	0.8
190.99876	1.8
191.03532	2.6
191.05617	4.7
192.00667	2.0
193.01437	4.5
199.04030	1.2
201.02010	0.7
205.01392	2.5
206.02209	1.0
210.01695	2.5
213.05626	1.0
215.03546	1.7
219.03029	3.0
231.06586	0.9
241.05017	0.8
255.06595	1.2
269.08203	0.6
270.08853	1.0
271.06186	2.3
281.04440	0.6
284.03244	0.8
285.04187	1.0
285.07645	0.7
287.09174	1.2
295.04449	1.6
298.08475	0.8
299.05569	2.3
313.07141	3.7
313.10547	1.0
314.07977	2.6
315.08716	3.0
327.05090	0.9
327.08667	2.1
329.10248	3.9
339.05042	0.7
339.08783	1.9
341.10446	1.2
342.07413	2.9
353.10345	1.3
354.07309	0.9
357.09781	69.6
358.10211	5.3
369.09958	3.1
371.11420	0.9
375.20154	0.8
381.09790	1.1
387.10870	2.6
399.10928	3.2
459.13013	33.3
460.13568	3.1
477.13690	0.9
518.29364	0.7
519.15100	100.0
520.15405	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	519.2179
Annotation	Beclomethasone dipropionate
Peak:m/z	Relative Intensity
56.88830	0.4
59.01395	0.7
70.81805	1.0
77.63171	0.3
85.02993	0.4
135.83749	0.3
152.79979	0.4
173.04669	0.4
173.29144	0.4
178.95033	0.3
183.12837	0.3
186.06390	0.4
191.05653	2.4
291.10281	0.5
291.19687	0.6
301.39102	0.4
374.31732	0.4
440.14508	0.5
441.14908	0.4
453.15240	1.3
455.16617	12.9
456.16977	1.4
457.18137	5.4
458.18311	0.9
461.88797	0.4
475.19049	3.1
481.18256	1.5
482.18396	0.6
483.19507	1.7
485.17734	0.6
486.18451	0.4
499.19272	2.9
501.20801	5.5
502.20911	0.5
519.21796	100.0
520.22137	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	519.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78407	0.7
55.01875	1.2
57.03456	32.9
58.00595	1.5
59.01388	36.1
60.99308	2.6
68.20818	0.8
68.36948	0.8
71.01392	26.7
72.99316	0.8
73.02959	11.3
83.01402	5.3
85.02953	8.8
85.21465	0.7
87.00887	2.0
88.98814	16.2
89.02455	13.2
93.03453	2.3
95.01397	3.4
96.96014	1.6
97.02987	0.7
98.20663	2.3
99.00892	1.7
99.04536	3.7
101.02453	26.8
113.02460	10.7
119.03533	4.7
121.10087	0.8
125.02464	2.0
134.03760	1.1
136.15033	0.7
143.03452	0.8
149.65344	0.7
159.02977	0.8
161.02435	0.7
161.04510	3.5
172.46362	0.8
173.04578	4.9
183.13876	1.1
191.05621	11.2
195.13921	15.7
209.11749	0.9
213.15009	4.8
223.13400	10.1
229.19749	0.8
253.09334	1.2
275.99835	0.8
313.27505	2.8
340.05933	0.8
341.93979	0.7
357.15451	1.5
357.19321	5.5
357.26324	1.7
375.20264	100.0
376.20526	7.1
417.21347	55.0
418.21655	4.0
457.24454	10.2
459.22324	1.2
519.24414	9.5
519.31799	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	519.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56050	0.4
57.03460	2.3
59.01382	1.4
69.03468	0.9
69.79372	1.7
69.79795	0.9
71.01385	0.9
71.05029	1.5
73.02935	1.2
77.65298	0.4
77.91709	0.4
81.03491	0.6
83.05040	2.5
85.02971	1.3
85.06580	2.2
87.00879	0.9
93.03471	5.9
96.96017	1.9
97.06595	0.8
98.95609	1.8
111.04542	5.1
115.07662	5.7
125.09737	1.1
127.11311	2.0
129.01985	0.7
137.02432	0.9
148.54469	0.5
155.03510	4.7
155.14433	0.5
167.14458	1.1
171.10291	3.2
173.04570	16.7
173.06071	0.9
183.13934	4.7
185.11928	0.5
191.05635	3.3
193.12335	1.8
199.13437	0.7
209.11917	1.6
211.13408	30.1
212.13751	1.6
229.14456	29.9
229.16817	0.9
230.14813	1.3
327.21677	1.5
345.22833	100.0
346.23163	6.5
474.50558	0.4
486.16873	0.5
486.52148	0.4
519.28156	42.2
520.28479	4.1
545.76196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76277	0.3
54.66948	0.3
57.03450	1.4
59.01395	1.7
60.99309	0.7
62.72672	0.3
65.03970	0.3
67.01902	4.8
67.63155	0.3
69.03477	1.4
69.24451	2.8
71.01393	3.2
71.05029	0.4
81.03466	1.2
83.05015	1.4
84.84855	0.3
85.02959	0.9
85.06614	0.7
87.00912	0.4
93.03470	29.6
94.03809	0.8
96.95985	0.6
98.19935	0.6
101.02465	0.3
109.02982	0.9
111.00900	1.0
111.04533	5.1
113.02455	0.5
115.07649	1.2
116.92899	0.3
125.09718	0.4
127.11328	0.6
128.03546	0.9
137.02455	5.0
155.03500	5.4
167.14500	0.4
171.10281	1.2
173.04562	100.0
174.04919	2.3
183.13881	1.1
191.05630	1.3
193.12411	0.5
209.11841	0.9
211.13411	7.1
212.13933	0.3
229.14484	6.8
230.14816	0.3
273.34451	0.3
284.03247	1.2
285.04044	3.4
327.21527	0.4
345.22842	31.1
346.23221	1.5
390.25476	0.4
447.09235	1.9
519.28210	26.9
520.28479	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	519.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01385	3.2
60.99308	2.6
65.00318	0.6
65.03966	0.8
67.01897	9.6
69.03469	2.7
69.51222	3.5
71.01385	6.0
73.02939	0.8
75.11613	0.5
81.03464	2.8
83.01405	0.8
83.05028	1.5
85.02960	2.2
85.06616	1.0
87.00888	8.8
89.02467	0.7
93.03468	65.7
94.03827	1.7
96.96012	0.8
97.02969	0.9
97.06580	0.7
99.00883	1.1
99.04562	0.9
105.02697	0.4
105.03443	0.7
107.01398	1.4
108.47114	0.5
109.02972	1.6
111.00877	1.2
111.04530	12.8
113.02456	1.0
115.04044	0.6
115.07642	0.9
116.22025	0.5
116.92882	1.3
117.03452	0.6
117.92849	0.6
118.92713	0.5
119.01392	0.6
119.05033	2.3
121.02909	0.9
123.00890	0.5
125.02425	2.6
127.11317	0.8
128.03542	2.2
129.01926	0.8
133.02954	0.8
134.03725	1.7
135.00911	1.5
135.04556	1.8
136.01691	3.5
137.02446	7.1
145.02960	2.3
149.02461	1.4
149.06076	2.2
150.03226	1.3
151.04053	0.5
153.01831	0.7
155.03534	6.7
161.02466	2.3
163.00395	3.0
163.04031	1.5
164.01205	2.8
165.01903	1.1
167.03397	0.5
171.10249	1.5
173.04564	100.0
174.04883	2.9
175.04004	0.9
177.01918	1.8
178.02705	1.9
179.03467	0.5
183.13905	1.2
185.11813	0.6
188.01007	0.7
189.01945	1.3
190.99860	0.8
191.03781	0.9
191.05621	11.3
193.01387	2.4
193.12399	0.5
199.03900	0.7
201.01912	0.6
205.01476	1.4
206.02312	0.9
209.11819	0.5
210.01695	0.8
211.13388	7.0
213.05656	1.2
215.03624	1.0
229.08705	0.5
229.14456	8.2
231.06839	0.6
235.02507	0.8
237.07648	1.5
238.01181	0.7
241.04984	0.9
255.06673	1.4
256.07541	0.8
265.04962	0.6
269.08047	0.8
270.08856	1.1
283.06137	0.8
297.11368	0.9
299.05746	1.1
313.07159	1.8
313.10785	1.2
314.07910	0.9
315.08890	0.7
327.05072	1.0
327.08813	1.2
329.10471	0.9
339.08658	1.5
341.10455	0.8
342.07373	2.0
345.22855	28.3
346.23203	1.7
353.10373	2.3
356.01859	0.5
357.09814	43.9
358.10294	3.1
369.09915	0.7
371.11203	1.1
381.09821	5.0
383.11285	0.6
390.25714	0.8
391.27249	1.1
399.10867	6.9
400.11072	0.7
429.26660	0.6
445.11200	0.6
491.15604	0.9
519.16364	12.4
519.28149	85.2
520.15771	1.3
520.28516	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	520.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76202	0.6
55.22840	0.7
59.01385	41.9
60.01716	0.7
61.98837	100.0
69.86211	2.2
69.86634	1.2
71.01389	4.7
73.02954	2.1
74.02468	1.1
78.44425	0.6
83.01391	1.2
85.02975	3.0
89.02464	2.9
93.03484	2.6
94.03831	0.6
96.96026	1.8
101.02483	4.0
113.02486	2.5
125.02467	1.1
128.03535	0.7
134.03740	0.6
135.04546	0.8
143.50342	0.7
151.00432	0.8
161.02469	1.2
161.04604	1.1
173.04588	4.5
179.05786	0.8
191.05624	12.3
206.02782	1.0
207.10442	1.4
225.11362	1.9
230.52376	0.6
269.15677	0.7
284.03287	1.6
299.05661	2.9
346.23010	0.7
358.03693	1.3
371.20850	1.1
383.86334	0.7
413.22104	2.1
461.20422	1.1
492.31995	0.8
520.31085	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	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.4
61.98835	100.0
67.01872	0.5
69.73221	2.7
71.01389	6.4
73.02957	6.0
74.02485	2.1
80.10406	0.4
83.01398	2.3
85.02969	1.9
87.00919	0.6
89.02483	1.3
93.03491	1.9
95.01494	0.7
98.29481	0.5
99.00945	0.5
101.02458	5.4
113.02464	2.5
128.03610	1.1
134.03844	0.5
137.02522	0.8
143.03583	0.9
149.04585	1.2
155.03595	0.6
161.02519	0.8
161.04597	1.7
164.03633	0.7
173.04572	3.4
174.04906	0.7
179.03493	1.1
191.05621	4.6
193.05159	0.8
207.10468	0.6
315.52682	0.5
317.49146	0.5
520.29437	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	520.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19953	0.8
59.01081	1.1
59.01387	35.2
61.98838	100.0
62.45507	0.8
67.01897	1.2
71.01385	7.7
73.02945	1.6
78.95953	0.8
79.95752	0.8
80.98099	0.9
83.01401	1.6
85.02956	5.9
87.00891	1.9
89.02451	2.3
93.03473	7.5
96.96014	1.8
101.02460	2.1
109.03022	1.0
111.04551	1.7
113.02459	3.6
116.92882	2.9
117.92876	1.4
125.02406	1.1
133.02907	1.2
135.04536	3.0
137.02461	1.5
139.11298	1.6
140.93539	0.8
161.02440	2.4
161.04523	2.0
173.04570	7.5
174.04959	1.0
187.04050	1.3
191.05629	36.9
192.05954	2.9
199.04004	1.2
209.11795	4.3
209.15466	2.8
227.03651	0.9
229.44910	0.9
231.47586	0.9
271.17053	0.9
272.17368	2.7
283.13428	2.6
297.11588	1.4
353.13971	1.6
371.20706	2.1
413.21823	3.4
415.16162	2.1
504.20709	1.2
520.22479	2.7
520.31940	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	520.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49943	0.2
62.96417	0.4
70.02636	0.6
70.03027	0.4
70.62521	0.2
71.61073	0.2
78.95911	45.7
96.96980	6.1
96.97610	0.4
101.78143	0.2
150.98029	1.4
152.99602	100.0
153.99913	1.3
171.00655	4.2
279.23322	0.9
387.18253	0.3
433.23639	21.5
434.23990	1.8
440.42865	0.3
520.26947	4.2
521.26410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58849	0.2
71.54767	0.3
78.57808	0.2
78.95909	43.7
84.11946	0.2
96.96973	5.9
96.97606	0.3
125.02155	0.3
139.61601	0.3
150.98032	2.0
152.60587	0.2
152.99597	100.0
153.99895	1.3
171.00639	3.9
207.69157	0.3
210.60455	0.3
279.23322	1.1
400.07776	0.3
433.23611	22.4
434.24002	1.9
520.26959	3.5
521.26978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03187	2.2
59.01382	4.7
63.81143	2.2
69.45415	13.6
73.02951	3.0
75.00883	29.5
89.02465	3.1
130.72174	2.1
143.03511	3.6
161.04543	4.4
164.64409	1.9
179.05640	100.0
180.05923	4.0
219.78455	1.8
229.71228	1.7
248.64717	2.1
343.65311	2.0
351.86377	1.9
537.40662	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50235	1.0
57.03464	2.0
57.04742	1.1
58.00599	4.7
59.01385	100.0
60.00576	1.0
67.01902	1.8
69.28858	4.0
69.29293	4.0
71.01389	60.4
72.01708	0.9
72.99311	3.5
73.02943	2.3
81.03472	0.9
83.01373	2.8
85.02957	12.5
87.00890	5.0
89.02455	88.0
93.03480	7.2
94.03805	2.2
95.01404	5.1
96.96032	1.1
101.02457	36.6
102.05605	1.8
108.02176	1.4
109.02939	2.2
110.21143	0.9
111.04586	1.5
113.02464	27.0
119.03512	43.6
121.02991	2.5
122.03786	2.5
123.04557	2.4
125.02404	1.0
128.03568	3.8
131.03534	4.1
131.09918	1.0
133.02882	1.2
137.02464	1.7
143.03546	8.1
149.04564	2.7
150.14906	1.0
155.03503	1.4
159.04570	3.1
160.05318	6.4
161.04572	5.2
161.06053	1.9
172.05302	3.7
173.04559	8.3
173.06059	3.8
174.04935	3.0
175.05078	2.3
175.07622	3.0
179.05618	18.1
179.94875	1.0
187.07587	1.7
189.05608	7.6
190.06390	9.7
191.05580	10.4
192.05965	1.2
205.08731	6.6
259.73801	1.1
267.66418	1.0
276.09717	1.1
281.08423	1.7
296.10596	3.8
311.12918	4.8
327.05173	1.1
329.13943	3.6
341.13956	27.2
342.14413	2.2
346.23346	2.1
347.24216	4.4
357.10086	1.6
359.10458	2.3
391.26953	3.7
392.27301	5.3
401.11404	1.2
438.06232	1.0
520.31067	4.7
521.20148	4.9
521.30847	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78869	1.0
55.01855	1.0
59.01395	9.2
61.98830	5.3
67.01889	2.2
71.01398	10.6
71.54139	2.1
73.02958	2.2
78.79413	1.1
82.12644	1.2
83.01398	1.2
85.02967	4.0
89.02451	1.6
90.38963	1.2
91.01937	2.1
93.03454	3.4
95.01382	2.0
96.96035	7.7
101.02454	4.5
107.01401	3.5
108.02189	22.1
109.03010	7.2
111.00869	2.5
113.02448	4.0
123.00911	5.8
123.04539	19.5
124.01705	2.5
125.02455	4.7
134.03743	3.6
135.04503	2.4
137.02438	1.8
138.19179	1.2
149.06047	2.6
151.00378	8.0
151.03999	1.8
152.01175	47.5
153.01967	10.4
155.03477	1.5
161.02469	2.7
161.54291	1.2
165.01927	1.3
166.02707	2.5
167.03513	52.9
167.04948	2.5
168.03799	1.8
173.04630	2.6
179.03503	2.2
181.05077	3.6
191.03291	1.1
191.03889	1.3
191.05598	10.7
193.05084	1.2
194.02031	1.3
195.03047	1.8
209.11842	3.3
211.02576	6.6
223.95724	1.3
283.04807	2.1
283.13223	1.9
296.05325	1.7
297.06317	2.5
299.05643	1.7
301.14307	2.2
311.07718	4.8
355.06641	12.3
461.15155	1.7
523.10938	100.0
523.17017	3.7
524.11066	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	523.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42522	1.1
59.01387	97.6
59.64986	1.2
61.98841	7.9
70.81293	3.0
71.01383	1.9
75.99123	1.1
75.99567	1.1
83.05047	8.1
85.02956	2.2
87.00874	1.3
93.03451	2.7
96.96019	8.0
98.95581	2.7
101.02472	2.3
123.00850	2.1
134.03712	1.2
135.04526	1.7
137.02495	1.8
145.03038	1.5
151.03943	1.4
159.08104	1.7
161.02464	2.7
171.08093	2.1
173.04530	3.7
187.07642	4.7
191.05612	10.0
197.02727	1.5
200.08432	26.2
201.08910	2.0
211.07607	2.5
218.53021	1.2
219.00319	1.3
219.06715	1.2
223.11192	1.6
225.09251	4.8
225.12695	1.7
227.14359	4.0
228.07875	3.3
238.09947	6.6
239.10666	1.8
250.10065	5.9
254.13075	10.9
255.13835	3.3
265.12231	6.4
271.09738	1.6
283.13434	100.0
284.13785	7.0
299.05499	2.8
301.14471	31.8
302.14816	2.3
328.40302	1.3
338.08920	1.7
411.38541	1.3
523.09418	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	524.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
60.91468	0.7
61.98837	100.0
65.90747	0.9
68.72923	0.7
70.28593	1.9
70.28990	1.7
71.01412	0.8
75.38856	0.7
79.96311	0.7
88.98817	1.0
96.96024	1.2
102.24010	0.7
114.42141	0.8
129.09715	0.7
133.02969	4.5
158.98648	0.8
173.04520	1.3
191.05637	3.0
211.03958	1.0
212.04697	1.6
255.03125	0.9
256.03772	5.8
269.04642	1.5
283.02277	1.1
284.03250	8.5
284.06088	1.1
298.04788	1.9
299.05640	67.6
300.06021	5.4
330.37497	0.8
352.63821	0.9
358.24738	0.9
461.10959	45.6
462.11414	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	525.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00504	0.8
70.91957	1.5
70.92290	1.0
71.71539	0.9
74.02460	0.9
82.02978	3.0
83.38548	0.8
84.04552	1.9
90.86042	0.9
90.97101	0.8
99.97184	0.9
112.22715	0.8
128.03555	24.2
151.08723	0.9
155.11841	1.4
165.99252	4.3
168.01535	1.7
170.01341	1.5
173.75499	0.9
176.82437	0.9
181.09846	1.5
183.99289	100.0
184.99706	1.0
187.53099	1.0
192.99332	12.0
198.98004	2.7
199.10901	13.0
207.04558	1.1
209.06131	1.2
210.00810	1.0
211.98782	4.7
224.02548	1.3
233.02350	2.0
237.06490	36.1
238.99922	1.0
241.01340	1.2
243.09882	3.0
247.02722	7.3
249.01920	3.8
251.03558	4.1
255.06644	13.8
269.04410	1.0
281.05435	8.2
295.02487	51.4
296.02863	1.4
298.33905	0.8
299.05582	1.2
302.08182	2.4
304.09741	5.0
318.10245	0.9
348.08862	6.1
358.65274	0.9
366.09821	13.1
375.17203	2.3
410.08704	3.1
419.16101	17.9
437.17160	83.6
438.17661	6.0
463.14972	4.6
481.16220	14.4
525.15131	22.6
526.15186	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	525.2708
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
54.09126	1.0
55.01900	1.1
56.36443	0.9
57.03444	2.6
57.49096	1.2
59.01375	11.0
61.98840	2.1
67.01897	1.3
68.99811	1.5
69.03458	9.3
69.93781	1.2
71.01391	4.1
71.05019	3.6
71.53999	1.3
74.26911	1.0
74.76812	1.0
80.02678	1.9
81.03461	2.7
83.01385	1.8
83.05038	8.7
89.02444	1.5
93.03468	1.1
95.05035	1.6
97.06617	2.8
101.02452	2.0
102.05630	1.4
105.98992	1.0
109.06584	1.8
111.32397	1.0
123.08155	3.2
125.09753	7.3
128.03598	2.2
135.08180	2.8
151.11275	5.9
153.12877	3.5
161.09727	11.7
163.11308	5.8
165.12842	3.1
171.10301	3.0
179.10797	36.6
180.11142	1.1
181.12355	3.4
185.11812	2.1
191.05637	3.0
191.10759	1.4
197.11841	100.0
198.12096	1.9
207.10332	2.2
209.11838	84.3
210.12225	4.0
223.09802	5.7
225.11328	2.9
227.12953	9.6
241.10812	14.8
272.37061	1.3
282.97510	1.1
283.19934	1.4
289.18027	1.4
297.13458	8.6
315.14493	21.2
316.14780	1.3
387.38077	1.2
389.23477	2.0
429.66397	1.2
437.19601	1.3
463.26865	1.6
507.26288	2.3
525.27161	90.0
526.27313	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	525.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05742	22.3
53.78510	19.8
59.01388	23.6
61.98823	23.4
68.06071	20.4
69.96574	100.0
73.72961	19.2
81.56574	21.3
85.15233	23.4
98.19903	36.2
98.20488	48.3
131.17160	22.8
151.60295	24.5
539.02264	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	525.3074
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
59.01385	100.0
61.74094	0.4
61.98833	0.8
71.01378	2.1
73.02977	1.0
85.02980	0.9
89.02445	0.6
93.03476	1.4
96.96032	0.6
98.19880	0.9
101.02467	1.3
103.33108	0.3
109.02983	0.6
113.02460	1.4
123.00916	0.4
151.00461	0.5
153.02003	0.7
161.04573	0.5
166.32567	0.4
173.04585	1.1
177.05655	0.5
191.05585	2.0
191.90433	0.4
299.12897	0.5
380.40878	0.4
445.09927	1.1
505.79813	0.5
525.26312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.6
61.98836	100.0
69.39146	1.1
69.39570	0.8
71.01391	0.5
73.02966	0.4
79.95763	0.2
80.96532	2.1
84.07991	0.2
93.03493	0.8
94.98123	0.6
96.96009	1.2
101.02504	0.3
108.02193	0.3
119.76095	0.3
126.19088	0.3
135.04579	0.3
140.97014	0.3
161.02469	0.8
164.98676	0.3
167.03520	0.5
173.04584	1.2
176.04018	0.3
179.03581	0.4
191.05643	1.9
192.05978	0.4
225.00772	0.4
241.80772	0.3
285.04114	0.3
393.10983	0.4
394.11456	0.5
526.16650	4.8
526.23480	0.4
527.16724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	0.3
61.98837	100.0
69.30270	1.9
73.10663	0.2
80.96537	0.6
93.03441	0.3
95.71713	0.2
96.96040	0.6
122.50183	0.2
128.91452	0.2
173.04623	0.3
191.05655	0.9
208.97475	0.2
246.85732	0.2
280.03186	0.2
285.03915	0.3
300.59344	0.3
333.54849	0.2
442.51834	0.2
526.17145	0.5
527.18164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62848	0.5
59.01385	21.3
61.98825	0.6
70.09357	1.8
77.81411	0.7
78.95910	15.9
86.95317	0.5
152.99615	2.7
168.04286	2.3
219.09206	0.5
224.06963	6.5
227.20183	100.0
228.20491	4.6
242.07979	2.2
262.09946	1.4
435.62921	0.5
452.27844	57.1
453.28195	4.4
506.76511	0.5
527.21771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69455	0.4
53.89548	0.4
57.03432	0.5
59.01374	1.2
63.96237	1.0
69.03452	0.6
70.89093	1.0
71.01388	6.7
72.99305	1.1
73.02947	1.7
75.00880	14.9
77.16033	0.4
78.95889	0.5
78.98605	4.9
79.95744	8.7
80.96526	52.0
81.03474	0.7
83.01382	0.6
85.02961	2.6
87.00885	2.4
94.98093	12.8
96.96023	14.4
96.96954	0.7
97.02966	1.3
99.00870	0.5
99.23775	0.5
101.02444	1.9
106.98116	2.2
113.02480	0.5
120.99690	0.5
122.97607	3.0
123.00876	1.3
124.01662	0.7
125.02479	2.3
127.04009	0.9
133.03012	0.4
134.97586	3.9
136.99130	1.7
138.97075	1.1
142.28398	0.4
148.99165	4.3
152.98633	5.0
163.03993	0.5
164.98630	12.0
173.04601	0.4
177.05502	1.1
191.05597	1.5
206.99667	1.8
209.11836	2.5
220.07347	0.5
221.08159	0.5
225.00769	14.4
241.00258	4.3
245.23283	0.5
284.03131	0.8
285.04028	3.1
299.04480	1.9
379.42432	0.6
421.03107	0.5
447.08932	0.7
467.15811	0.5
527.05054	7.2
527.18054	100.0
528.05798	0.8
528.18457	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	527.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01382	2.4
60.99315	1.4
61.98832	0.6
65.03970	0.4
65.21783	0.3
67.01901	4.6
69.03464	1.0
69.40568	2.1
70.65882	0.2
71.01389	2.8
71.01760	0.4
73.02955	0.5
78.95918	0.3
81.03471	1.1
83.01411	0.3
83.05029	1.0
85.02956	11.9
85.10246	0.3
87.00886	8.7
93.03468	34.2
94.03748	0.6
95.01424	0.4
96.96027	1.7
98.19970	0.5
99.00896	0.8
99.04537	0.9
101.02433	0.4
102.42457	0.2
108.02220	0.3
109.02937	1.4
111.04538	5.0
113.02451	0.5
123.00903	0.9
124.01662	0.4
125.02425	0.4
127.04036	3.0
129.01952	0.8
133.02959	0.7
134.03784	0.4
135.04530	0.8
137.02443	1.1
139.04013	0.3
143.03473	0.4
153.01956	0.5
155.03496	1.4
161.02481	0.5
165.01938	0.4
171.02994	0.8
173.04562	24.7
174.04897	0.6
179.03523	0.4
183.03040	0.4
191.05627	100.0
192.05969	2.2
193.05107	0.6
196.09038	0.3
205.44817	0.3
209.06137	0.7
211.07594	0.3
213.09218	0.9
215.07024	0.6
222.06943	0.9
223.07628	0.6
224.08316	0.4
225.09181	0.4
237.05525	0.5
237.09148	1.4
238.09959	0.3
239.07129	0.8
239.10803	0.3
240.07921	0.4
250.10088	0.5
251.07188	1.2
251.10733	2.9
252.07690	0.3
252.11473	0.7
253.08893	0.4
253.16051	0.9
254.22763	0.3
256.07458	0.9
257.08194	3.4
258.08600	0.4
265.08719	1.3
265.12375	1.3
266.13132	0.4
269.08270	0.6
278.65521	0.3
279.10248	1.6
279.13483	0.4
280.11075	2.3
281.12183	0.3
281.15372	1.7
283.09769	0.8
291.13855	0.7
295.09741	0.3
309.11575	0.5
309.15002	4.3
310.14981	0.4
323.21066	0.3
324.10043	2.7
325.10229	0.4
325.14182	0.4
335.12979	0.8
353.13956	45.1
354.14359	3.8
385.13058	0.4
386.13553	0.4
414.11414	0.5
430.12561	3.3
527.19257	21.5
528.19458	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	527.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
58.00610	0.4
59.01379	3.5
60.99308	1.9
67.01897	4.2
69.03465	1.2
69.34640	3.0
71.01390	3.0
73.02954	0.7
81.03460	1.7
83.05035	1.1
85.02958	11.9
87.00887	8.8
89.61654	0.4
93.03470	33.3
96.96027	2.3
98.20663	0.8
99.00922	0.9
99.04530	1.4
101.02453	0.8
109.02953	1.6
111.04537	4.7
113.02451	0.7
114.22548	0.4
119.05059	0.5
127.04029	3.2
129.01932	0.9
133.02940	1.2
135.04521	1.7
135.37384	0.4
143.03532	0.6
155.03500	1.1
161.02455	1.7
163.04005	0.7
173.04565	24.9
174.03290	0.5
174.04834	0.9
174.25479	0.4
177.01891	0.4
179.03482	0.7
191.05626	100.0
192.05972	3.3
196.08925	0.5
209.06152	0.6
213.09201	0.5
222.06902	0.8
223.07605	0.4
225.09247	0.6
229.05023	0.6
237.05479	0.8
237.09221	1.2
239.07085	0.7
250.10112	0.6
251.07076	1.2
251.10812	2.9
252.11540	0.7
253.08737	0.7
253.12291	0.6
253.16106	1.2
256.07455	1.3
257.08188	3.6
265.08759	0.9
265.12418	1.1
265.15811	0.7
269.08276	0.5
278.09137	0.4
279.10223	1.9
280.11017	2.3
281.15555	2.1
283.09720	1.1
291.13824	0.4
307.13373	0.5
309.14951	4.4
310.15436	0.5
324.10086	2.3
335.07965	0.6
335.12775	1.0
353.13962	44.4
354.14331	3.2
399.10736	1.0
424.57150	0.5
430.12592	4.0
509.18225	0.5
527.19305	22.0
528.19629	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	527.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98550	0.4
58.78424	0.4
66.37492	0.4
69.66416	0.3
71.53886	0.5
77.40654	0.3
78.79747	0.4
78.95929	0.5
108.79506	0.4
148.08101	0.4
156.52927	0.4
199.90872	0.4
248.08449	1.3
249.09276	0.6
261.09229	1.7
262.09845	1.3
263.10782	6.8
264.11282	1.2
268.64236	0.4
277.21747	2.5
279.10306	0.4
445.23645	2.0
493.18213	1.2
494.19138	0.5
507.19516	4.8
508.20123	0.9
509.21228	14.2
510.21542	1.6
521.11206	0.4
527.22284	100.0
528.22644	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33622	0.4
63.61572	0.4
78.95884	0.9
85.51429	0.4
110.98576	0.5
114.25454	0.4
209.11833	0.5
229.42915	0.4
234.10550	0.6
235.11302	1.0
246.06827	2.7
247.07576	0.8
248.08456	1.2
249.09203	1.1
261.09189	8.7
262.07297	1.0
262.09991	13.8
263.10751	9.5
264.11450	1.8
265.12308	2.5
277.21738	4.7
412.38788	0.6
445.23767	1.5
493.18405	2.8
494.18643	1.1
499.23032	0.9
507.19647	4.0
509.21182	8.9
510.21649	0.9
511.19315	1.7
512.19794	0.9
527.22308	100.0
528.22632	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	527.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65648	0.8
65.14384	0.8
70.83729	0.8
71.01380	1.5
77.20024	0.8
78.98528	1.3
79.95719	2.5
80.96523	11.4
83.08517	0.8
83.15247	0.8
85.02943	1.1
94.98066	3.0
122.06849	0.9
152.98598	1.9
153.02415	0.9
164.98552	2.3
181.06496	1.3
183.08150	8.6
193.06602	1.2
194.07077	0.9
195.04523	0.8
198.06819	1.5
207.08075	2.9
209.06013	3.1
211.05731	1.4
211.07649	24.7
212.07852	1.5
221.09637	1.4
222.06709	0.9
223.11128	2.3
225.00674	3.2
233.09647	0.9
234.06885	5.4
234.10590	2.0
235.07578	1.7
235.11279	1.4
236.03505	0.9
236.08263	2.0
237.09073	1.3
245.06194	1.1
245.09573	4.9
246.06860	7.9
247.11214	2.5
248.08244	0.9
249.05421	3.4
249.09102	3.4
251.10803	23.3
252.11040	2.0
253.21710	1.3
259.07501	3.9
260.08340	2.0
261.09232	11.2
262.09921	4.6
263.07065	1.0
264.05298	0.8
264.07910	12.0
269.24948	0.9
275.10559	1.3
279.10266	9.7
299.04272	0.9
315.13757	3.2
483.22934	1.1
493.18228	1.8
509.21161	5.2
511.19376	1.9
512.19604	2.2
516.97638	0.9
527.22180	100.0
528.22583	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	527.2531
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
50.22149	0.9
59.01391	1.8
69.20164	0.9
71.01393	6.0
71.54450	0.9
71.54826	1.2
74.84804	1.0
78.98598	4.0
79.95740	8.0
80.96526	55.4
81.03492	0.9
84.73916	0.9
85.02978	2.1
87.00887	3.4
94.98084	13.4
96.95995	2.3
97.02967	1.2
101.02483	1.4
106.98083	2.2
122.97598	2.9
125.02459	2.1
130.04033	1.2
134.97597	4.6
136.99184	1.6
148.99193	4.7
152.98645	3.5
164.98640	9.3
165.95132	1.2
176.57703	0.9
206.99695	1.9
225.00766	12.8
227.20171	1.5
234.06927	3.6
249.09232	1.5
251.10873	1.2
253.21736	5.8
258.99860	0.9
263.10873	1.2
271.81247	1.1
277.21841	1.0
279.10239	1.5
299.04510	2.5
443.44870	1.0
478.29443	4.2
517.90991	1.1
527.25378	100.0
528.25580	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	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.3
59.01393	16.3
67.01932	1.5
67.89926	0.9
71.01392	25.5
71.53914	1.0
72.99318	7.4
73.02964	3.1
75.00883	24.7
78.98605	3.3
79.95762	4.5
80.96529	35.4
81.03431	1.1
83.01389	1.3
84.02165	1.0
85.02964	35.0
87.00880	10.7
89.02454	6.2
94.98116	7.7
95.01406	9.4
96.96046	1.4
99.00884	11.4
103.00401	4.8
103.76801	1.0
106.98137	2.4
113.02473	46.2
115.00376	3.4
117.01967	3.4
122.97644	1.3
125.02483	2.5
129.01961	2.8
131.03519	1.3
134.97614	2.5
148.99178	4.0
152.98611	3.1
164.98688	6.2
175.02449	5.8
193.03491	1.2
205.07219	3.2
206.99736	1.6
225.00844	7.4
231.05173	2.0
249.06165	9.6
267.07260	12.2
275.68100	1.1
277.21759	75.8
278.22089	4.2
291.19766	1.2
299.04584	2.4
467.26547	1.3
509.27570	4.3
527.29224	100.0
528.29578	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	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11269	5.0
65.20368	5.0
71.53952	4.1
77.90680	4.4
78.22318	4.8
101.52947	5.3
141.59973	5.1
155.51953	4.6
173.97412	5.4
184.73732	4.7
240.36441	5.7
279.10297	15.1
351.61279	5.8
391.77502	5.7
507.20233	6.9
509.21509	11.4
527.22369	100.0
528.22980	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	528.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80531	1.1
59.01385	2.2
61.98831	12.5
62.84628	1.1
69.78506	2.3
69.78916	4.9
70.02994	1.2
71.01379	2.7
82.02989	12.3
84.00911	4.4
85.02995	1.6
85.04104	1.2
87.00873	1.3
93.03477	2.6
96.04553	1.9
96.96020	29.3
113.03595	7.3
113.07220	25.6
114.05598	1.2
120.12865	1.1
123.04853	1.6
123.05666	11.1
124.04059	21.1
125.03569	3.0
125.13214	1.1
126.02017	5.4
127.05155	9.1
128.03554	100.0
139.05161	1.9
141.06709	6.2
153.06674	1.9
155.08252	12.8
160.06169	1.3
166.06189	2.4
167.04630	41.7
170.09361	8.5
173.04549	1.6
180.11455	1.9
181.97461	1.4
185.05678	11.4
191.05605	10.7
195.07774	2.2
196.10950	1.7
206.09378	1.8
210.12466	1.7
211.07253	2.1
212.10316	1.4
224.10518	5.6
237.13576	4.2
241.13022	7.7
252.13576	1.2
261.11023	1.4
265.04938	1.3
266.11401	5.6
279.14612	4.1
283.14258	1.1
284.12552	3.4
323.13611	6.1
358.47388	1.4
421.24112	1.4
442.19302	2.4
452.18201	1.5
484.20508	80.0
485.20917	7.4
510.22772	1.5
528.23163	77.2
529.23242	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	529.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71722	0.6
51.19802	0.5
53.29800	0.6
59.01374	3.2
61.98861	0.8
67.01883	1.2
69.52467	4.8
71.01392	2.6
81.03465	0.7
85.02956	11.9
85.54133	0.6
87.00880	4.0
89.02470	1.1
93.03465	7.5
94.90913	0.7
95.01438	0.7
96.96022	17.8
101.02469	0.7
111.04494	1.7
113.00468	0.7
113.02461	0.7
119.03622	0.6
120.99617	0.6
127.04049	2.7
140.82092	0.6
171.03011	1.3
173.04597	3.9
191.05632	100.0
192.05983	3.0
193.06696	0.8
209.06085	1.3
219.04478	1.2
221.06148	1.1
223.06183	0.8
227.03499	0.9
237.05562	2.7
247.04034	4.1
249.05553	4.2
264.04379	0.8
265.05084	7.2
267.06595	6.1
275.03540	2.5
293.04559	13.6
294.04916	0.9
309.04187	2.2
311.05597	5.9
319.02502	11.8
337.03592	11.2
338.03876	0.8
343.25699	0.7
485.11087	3.4
493.22885	1.0
511.09445	0.7
529.10205	1.7
529.20111	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	529.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45467	0.2
53.56502	0.1
57.16653	0.1
58.38592	0.1
59.01379	0.7
61.98829	0.4
65.86682	0.1
67.01908	0.2
71.01379	0.4
71.53561	0.2
72.99306	0.2
74.02467	0.2
79.95752	2.9
80.96513	0.4
81.03481	0.2
85.02960	0.6
87.00856	0.2
87.78259	0.2
89.02466	0.3
93.03468	0.6
95.95240	0.2
96.96021	100.0
97.95985	0.3
98.95616	0.3
99.00905	0.2
101.02440	0.5
109.02941	0.3
110.97596	0.2
113.02481	0.2
113.03555	0.2
119.81956	0.2
137.02441	0.3
140.42604	0.2
149.02431	0.6
152.01167	0.2
161.02361	0.3
161.04498	0.3
164.04770	0.3
167.03528	0.7
173.04610	1.1
173.05855	0.2
174.67496	0.2
187.07625	0.2
191.05635	2.6
193.01396	0.4
208.03786	0.7
223.06110	1.9
267.06619	0.2
281.01242	0.3
311.05798	0.2
337.03864	0.2
355.04919	0.6
386.09946	0.2
449.14655	0.3
493.23422	0.2
499.25259	0.3
511.09164	0.5
529.10278	3.5
529.19702	0.5
529.26801	0.4
530.10730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25536	0.3
57.03451	0.8
57.72943	0.3
59.01146	0.3
59.01390	3.2
61.98825	1.6
67.01897	4.1
69.03465	1.0
69.12064	0.3
70.71249	1.1
71.01394	4.6
73.02946	0.4
78.95914	0.7
81.03465	0.6
83.01353	0.3
83.05041	1.0
85.02965	1.3
87.00877	1.0
89.03980	0.5
92.75446	0.3
93.03471	22.3
94.03780	0.6
96.96021	2.1
98.32981	0.3
99.04539	0.4
101.02470	0.6
103.13329	0.3
109.02954	1.0
111.00898	0.9
111.04533	4.9
113.02467	0.7
117.03482	1.4
127.04020	0.6
133.02960	1.1
134.03755	17.3
135.04491	1.2
137.02463	4.8
139.29506	0.3
140.88454	0.3
149.06122	1.8
151.97926	0.3
155.03514	4.9
161.02443	1.8
173.04564	100.0
174.04903	2.9
178.02718	0.4
179.03455	1.1
188.04994	0.3
189.39584	0.3
191.05659	5.2
192.05911	0.5
193.05074	16.5
194.05412	0.7
335.07721	0.5
357.37979	0.3
367.10358	38.0
368.10654	2.1
467.15665	0.7
529.26941	1.0
529.66620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46130	0.3
59.01391	2.0
60.43588	0.4
61.98836	1.0
69.17658	1.7
69.18085	1.9
71.01388	0.9
73.02972	0.6
79.95746	40.3
80.96545	1.2
86.49264	0.4
87.00868	0.5
93.03481	1.1
95.95246	13.5
96.96021	100.0
97.95906	0.3
98.19934	0.7
108.02189	1.2
109.02986	0.8
110.96844	0.7
110.97590	9.1
113.94949	0.4
121.02933	0.5
123.00924	2.0
123.04512	0.4
125.06128	0.4
128.03568	0.4
129.83485	0.4
133.02945	0.6
135.04515	0.9
137.02464	1.4
138.03242	2.6
139.04030	0.6
141.95786	1.1
145.02963	1.3
149.99940	1.8
151.00398	1.8
152.01189	3.5
153.05602	1.7
155.68687	0.3
161.02530	0.4
163.04129	0.4
166.02730	4.9
167.03510	4.7
173.04555	1.2
177.01970	0.5
179.03426	0.5
181.05074	8.7
181.98840	0.6
191.03886	0.5
191.05632	3.7
192.04225	0.8
205.05037	0.8
207.06621	0.7
267.06644	1.1
280.09677	0.4
293.04706	0.5
309.04050	0.8
311.05679	0.6
331.15741	0.4
337.03705	2.5
343.87079	0.4
361.06161	0.6
375.07477	0.5
387.10712	1.0
402.13190	0.6
403.14032	0.4
417.15652	0.7
419.13525	0.4
483.09689	0.5
485.27509	0.5
497.11417	3.3
514.11444	1.4
529.13922	79.3
530.14374	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	529.2082
Annotation	Gomisin D
Peak:m/z	Relative Intensity
52.53633	0.9
57.03444	1.1
59.01393	4.6
60.99308	5.3
61.98831	0.9
65.03937	0.6
67.01897	15.2
69.03446	5.2
70.74706	1.9
71.01382	6.4
76.43672	0.7
81.03469	2.5
83.05054	3.2
85.02952	2.0
85.32410	0.7
87.00883	17.1
89.02451	1.3
93.03468	100.0
94.03806	2.2
97.06618	0.8
99.00899	2.0
99.04540	1.1
101.02438	2.5
109.02982	1.3
111.04522	12.7
113.02450	2.4
115.04044	0.9
125.09830	1.0
128.04102	0.7
129.01952	2.0
129.21996	0.8
133.02982	0.9
134.03775	9.2
135.04572	6.5
143.03491	1.7
155.03511	2.7
169.12274	1.0
171.87743	0.8
173.04559	74.6
174.04868	1.6
177.12883	3.2
187.09836	0.8
191.05659	6.6
195.13884	1.3
209.11858	1.3
213.11465	0.7
214.95636	0.7
223.13342	1.1
225.79779	0.9
253.09302	6.3
275.20163	1.5
291.19556	0.9
293.21268	24.6
293.24472	1.4
294.21552	1.0
351.07098	1.2
355.15567	3.2
416.87524	0.8
519.18689	0.8
529.20868	39.3
530.21161	3.3
537.46045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98814	0.6
70.76528	2.2
71.01397	1.0
78.95918	1.2
79.95735	3.6
82.85439	0.6
90.97144	1.6
96.96022	100.0
97.93137	0.9
101.02472	0.7
109.70553	0.6
111.43665	0.6
113.01349	0.6
118.96646	1.5
197.23273	0.8
237.09270	3.0
261.09192	0.8
262.10147	1.2
269.21292	2.8
276.11398	1.0
288.11642	1.6
289.12390	10.4
291.13953	3.6
385.19138	1.1
399.17419	0.9
431.26645	7.8
441.06506	0.8
469.21130	3.7
499.22684	0.8
511.22406	1.2
514.17743	0.9
529.24237	18.9
530.23822	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31818	0.5
57.03440	0.6
58.00612	0.4
59.01383	7.4
61.98809	0.5
63.77614	0.3
67.01899	1.0
71.01389	5.3
71.05003	0.4
71.53771	0.5
73.02948	1.0
83.01397	0.7
85.02956	1.6
87.00877	1.7
89.02451	5.0
91.03978	0.5
93.03471	5.0
95.01371	0.4
95.05031	0.5
99.00903	0.5
101.02456	5.9
111.04491	0.8
111.08110	0.7
113.02462	2.9
119.03502	1.4
125.09727	0.4
134.03726	0.9
135.04625	0.7
143.03572	0.3
157.08730	0.3
161.04572	3.4
162.83925	1.0
173.04550	5.5
177.12828	0.8
179.05611	1.7
179.14394	1.0
187.09691	0.4
191.05678	2.5
195.13924	8.9
196.14478	0.8
205.12338	0.7
205.15817	0.4
211.13412	0.7
223.13411	5.7
228.13481	0.6
231.21214	0.5
235.08267	0.5
253.09308	28.3
254.09518	1.0
256.13300	0.9
275.20157	5.9
275.22916	0.6
276.20511	0.4
293.21259	100.0
294.21588	5.5
355.15469	1.0
492.22086	0.8
511.19345	0.6
529.20361	4.1
529.27167	0.6
530.20612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20195	0.6
57.03458	1.0
59.01379	9.3
60.99314	0.8
67.01890	4.1
69.01533	0.7
69.03467	1.0
71.01397	7.8
79.70887	0.8
81.03452	1.1
83.05037	1.6
85.02953	2.8
87.00879	4.8
89.02446	6.0
93.03470	30.0
101.02444	6.5
111.04530	4.5
111.08169	1.1
113.02471	4.1
119.03531	1.9
125.09700	0.8
126.86349	0.7
134.03760	3.3
135.04527	3.3
138.55264	0.8
140.24901	0.7
143.03510	1.2
155.03499	1.1
161.04558	3.3
169.12451	0.8
171.10229	1.2
173.04559	18.6
179.05551	1.5
179.14369	0.8
191.05635	9.5
195.13919	9.5
196.14236	1.2
197.05432	0.8
223.13414	5.7
235.07935	0.9
253.09299	31.4
254.09644	1.5
256.13193	1.3
275.20215	7.2
292.20090	1.2
293.21252	100.0
294.21579	6.8
296.19101	0.8
436.31845	0.8
497.03000	0.8
529.20593	10.7
530.21124	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	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83947	0.3
57.90412	0.3
60.89265	0.3
66.78674	0.3
69.38129	0.9
69.38548	1.4
70.02668	0.3
78.95914	16.8
87.40952	0.3
98.19878	0.3
152.99615	2.8
168.04301	2.9
191.05621	0.9
224.06931	8.3
242.08008	1.7
255.23306	100.0
256.23639	5.3
290.11505	0.4
369.87241	0.3
480.30969	63.5
481.31155	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	531.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.0
61.98810	0.5
67.01879	0.5
69.03484	0.5
69.19724	2.5
69.20145	2.5
71.01359	1.5
79.95721	1.2
80.96503	1.5
81.03463	0.5
84.29453	0.4
85.02963	7.4
87.00867	2.6
93.03475	5.3
95.95215	1.2
96.96020	10.6
98.95580	1.8
99.92564	0.7
101.02431	1.1
108.02111	0.7
109.02238	0.9
109.02960	13.8
111.04486	0.9
113.02438	0.8
115.92046	1.5
116.92889	1.0
121.02940	1.6
127.03993	2.2
129.03450	0.6
134.03763	0.5
135.04546	0.6
137.02455	1.0
145.02980	5.0
146.03709	0.8
147.04538	5.4
157.02951	6.0
158.03734	1.1
159.04529	10.5
161.02420	1.1
163.04001	0.7
172.95480	0.7
173.02473	2.4
173.04539	2.0
174.03200	0.7
175.04022	3.2
185.02408	3.8
186.03131	0.7
187.03987	0.7
191.05627	63.5
192.05977	1.7
193.06540	0.9
201.01924	1.4
211.07643	1.5
220.05376	0.5
221.06100	2.2
223.07652	0.7
224.04764	1.1
225.05588	1.2
229.01428	35.2
230.02020	2.0
232.05328	0.6
237.05666	1.0
238.06403	0.9
239.07089	3.6
248.04811	1.2
249.05588	6.2
250.06262	2.8
251.07021	0.9
252.04315	0.5
253.05148	0.9
265.05084	1.4
266.05771	2.0
267.06625	17.8
268.06982	0.9
269.08234	2.4
276.04330	1.0
277.05063	12.0
278.05817	2.7
280.03787	1.0
293.04578	5.7
294.05310	3.0
295.06122	25.5
296.06570	1.6
302.26736	0.5
313.07123	0.9
339.05121	100.0
340.05411	6.2
356.56149	0.5
357.05945	0.8
487.12488	1.3
531.11554	16.9
531.20996	1.8
532.12103	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	531.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97885	0.3
53.96042	0.3
57.03443	0.3
69.72824	1.5
71.01389	0.9
79.95746	5.5
80.96542	0.9
83.01363	0.3
85.02976	0.4
88.98824	0.4
89.02483	0.5
91.35166	0.2
93.03475	0.6
95.95243	5.9
96.96024	100.0
97.95950	0.3
98.95571	0.5
99.15575	0.3
101.02441	0.3
110.97594	2.2
111.00883	0.5
113.02455	0.4
122.97598	0.6
123.00927	0.4
125.02402	0.3
127.00380	0.4
131.07164	0.4
136.99049	0.9
137.02458	0.4
138.03253	0.5
139.00385	3.2
139.04024	0.5
149.02435	0.3
151.00365	0.4
153.05554	0.4
156.18329	0.3
163.04025	0.5
164.04720	0.4
165.01920	0.8
166.02708	1.0
167.00226	1.1
167.03517	0.9
175.03964	0.5
177.01953	0.7
177.05574	0.5
179.03479	0.3
179.07071	0.4
180.04294	1.1
181.05067	1.0
191.03555	0.3
191.05606	2.2
191.07225	0.5
192.04228	0.3
195.06654	1.0
203.03560	0.4
210.05377	0.4
218.05853	0.6
219.06677	0.4
222.65590	0.2
223.06064	0.4
225.07672	1.2
226.34891	0.3
236.06822	0.4
251.09386	0.4
255.06596	0.4
275.02371	0.8
331.04770	0.4
341.10861	0.5
343.08371	0.5
358.10580	1.6
370.10226	0.4
373.08417	0.5
373.12939	5.8
374.13394	0.3
385.13022	0.9
403.14346	0.6
421.15082	1.1
433.15225	1.1
451.16125	1.8
483.09433	0.5
501.10837	5.7
502.10928	0.3
513.10828	4.7
514.11218	0.4
531.11810	33.5
532.11926	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	531.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42128	0.3
57.46298	0.5
58.62008	0.3
59.01371	1.5
61.98830	0.7
69.35662	2.1
69.36080	0.6
71.01371	2.0
72.53332	0.3
73.02953	0.7
79.95747	8.0
80.52441	0.3
80.96525	5.0
85.02949	1.1
87.00941	0.3
89.02454	0.8
93.03501	0.8
95.01423	0.4
95.95245	31.6
96.96023	100.0
98.95603	0.4
101.02451	1.0
109.02957	0.4
113.02467	1.4
121.02956	0.8
123.00851	0.5
137.02440	0.7
138.03249	0.7
145.03029	0.4
149.02454	3.9
153.05591	0.7
161.04576	0.4
164.04826	6.8
165.01965	3.6
167.03532	0.6
173.04556	0.7
178.02626	0.4
179.05721	0.7
179.07158	6.3
180.04295	5.7
182.78366	0.3
191.03882	0.5
191.05589	2.6
193.01389	1.0
193.04979	0.5
195.03012	1.7
195.06639	7.3
207.06723	0.5
208.03809	1.5
210.05318	2.0
223.06187	2.3
225.07677	2.1
229.01369	0.7
275.02332	15.7
276.02731	0.5
303.01794	3.8
304.02585	0.6
331.09421	0.4
339.05139	2.9
451.16071	0.7
531.11682	12.3
531.24390	0.7
532.12213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.6
61.98823	1.2
64.57416	0.6
67.01897	1.6
71.01393	3.0
71.55161	1.2
72.22247	0.7
73.02960	1.0
76.96610	0.6
83.01401	0.8
83.05009	0.6
85.02957	2.8
87.00866	1.0
87.99894	0.6
89.02418	0.8
93.03476	8.2
96.96002	3.4
101.02441	1.4
102.05614	0.5
107.01422	0.7
107.81967	0.7
109.02965	0.7
111.00873	1.1
111.04565	1.4
113.02457	1.0
115.00499	0.5
117.57292	0.6
121.02953	2.4
128.03583	1.1
131.65323	0.6
132.02187	7.5
133.02985	6.0
134.03755	49.9
135.04594	2.9
137.02452	9.5
139.04010	3.3
149.02443	0.9
149.06084	15.8
150.03307	0.8
151.00392	1.5
155.03526	0.6
158.03743	0.9
159.04625	1.1
160.01672	27.9
161.02519	5.6
173.04608	6.8
173.06091	0.9
175.04019	27.3
176.04373	1.3
177.01910	2.0
177.05464	0.8
178.02730	32.6
179.03381	1.8
185.32852	0.6
188.52367	0.6
191.05632	19.7
192.04382	1.0
192.05978	0.8
193.05066	100.0
194.05363	3.0
199.04025	0.7
207.06618	1.1
217.04970	0.7
227.03635	0.9
255.03238	0.8
256.03763	1.5
284.00055	0.7
284.03293	19.0
285.04059	20.3
286.04324	1.1
299.06027	1.0
311.12946	0.7
323.07721	4.7
337.09323	31.7
338.09583	1.7
339.08804	1.5
339.12424	1.5
374.06094	0.8
449.14542	2.8
531.11896	20.1
531.27490	2.3
532.11877	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	531.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35666	6.4
72.38476	0.8
93.03423	1.2
169.13342	0.7
245.67711	0.7
247.07753	0.9
249.08922	1.1
260.80508	0.7
263.10831	2.9
265.12338	2.0
266.09534	1.7
266.23883	0.8
267.10489	0.7
295.22729	2.2
303.63742	0.7
326.89914	0.8
357.83701	0.8
467.16336	0.8
469.17978	2.8
479.15994	1.1
483.19763	1.2
485.21350	2.2
487.22073	2.1
493.18195	1.1
493.27621	0.9
495.19727	9.6
496.20462	1.0
511.18729	1.4
513.20599	13.4
514.20715	1.6
531.21796	100.0
532.22150	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	531.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.8
70.08483	2.5
70.08896	2.1
72.43312	0.9
93.03465	4.1
98.19952	1.4
135.04546	1.6
145.06604	1.5
161.06125	0.9
168.21487	0.9
172.05334	2.6
173.04640	1.3
185.06123	1.0
191.05600	2.0
202.31790	0.9
206.07442	1.1
207.08066	1.2
208.09166	1.2
209.09717	1.5
221.09726	2.3
222.10667	1.1
223.11305	2.9
234.06958	1.6
235.07652	2.6
235.11258	2.1
236.08450	1.4
237.09253	1.0
239.10733	2.8
247.07669	2.5
248.08406	7.7
249.09276	6.0
250.09978	11.6
251.10777	13.3
252.07953	1.3
252.42992	1.1
261.09262	4.0
262.09961	3.7
263.10727	7.6
264.11514	1.8
265.08725	2.3
265.12323	2.7
266.09430	1.6
267.10312	2.0
277.12442	1.5
279.10330	2.8
283.10104	1.0
290.13171	1.3
291.10336	2.7
319.16025	1.0
379.13538	1.2
384.13770	5.4
395.16550	2.1
396.13544	2.2
442.16074	1.5
443.16977	1.4
455.16510	2.3
457.18011	6.2
458.18839	6.1
465.15085	1.3
469.18082	1.2
470.19238	1.9
471.19739	4.4
472.20334	3.8
479.16513	1.9
483.20309	2.1
485.21075	3.2
487.22873	41.2
488.23224	2.7
495.19733	3.8
497.17368	5.8
498.18396	12.0
499.18781	2.1
501.20786	1.5
513.20734	28.0
514.21228	2.0
531.21893	100.0
532.22229	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	531.222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34057	2.4
55.01884	2.8
57.03455	34.8
57.10266	2.1
58.00600	3.7
59.01385	100.0
69.03450	8.5
71.01392	72.6
72.99323	3.3
73.02956	10.6
81.03448	3.1
82.95420	4.7
83.01402	5.4
85.02952	25.0
87.00888	8.5
89.02456	83.5
93.03460	10.8
95.01401	6.1
96.96010	22.1
97.02991	12.8
99.00868	3.9
101.02451	64.6
113.02468	38.2
119.03518	53.8
121.02962	2.7
125.02447	39.4
131.03497	11.0
135.04529	4.4
137.09743	6.4
137.35724	2.8
139.04044	3.1
143.03568	12.5
149.04594	5.5
149.09802	3.8
150.63881	2.5
161.02441	2.8
161.04582	19.8
167.03510	3.5
173.04636	3.5
179.05615	23.6
182.02341	3.0
191.05617	24.2
192.11589	16.2
204.24249	2.7
207.12062	4.4
207.13931	71.3
209.11838	24.8
221.06715	24.1
227.12885	4.0
245.06706	5.0
253.09323	5.4
263.07736	8.9
323.09830	32.3
486.14316	2.8
531.22217	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	531.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	5.4
59.01380	36.1
61.98840	6.9
71.01395	18.4
71.54482	5.6
72.56666	3.5
73.02951	8.4
79.95762	4.5
81.25456	3.7
82.95425	45.6
83.01381	4.7
84.95139	6.4
85.02958	17.9
87.00874	9.8
89.02467	12.5
93.03457	27.6
96.96031	50.8
98.61983	4.0
101.02488	11.0
111.04530	9.2
113.02451	8.5
123.04545	5.1
125.02501	5.0
133.02974	12.2
134.03737	12.7
135.04576	8.2
137.02501	5.2
149.06079	4.2
155.29312	4.3
161.02446	7.4
161.04579	6.9
173.04570	45.7
175.03990	4.5
177.01888	4.7
178.02727	7.5
179.03580	7.5
191.05640	100.0
192.05931	6.8
193.05072	17.4
198.31456	4.0
209.06413	4.1
209.11842	46.2
227.12910	7.6
248.08321	4.3
253.09346	9.5
281.06403	9.5
282.07169	8.2
285.03998	11.6
316.44052	4.6
324.08331	4.6
325.09082	10.0
337.09296	5.4
353.08917	5.0
444.18573	4.6
445.13425	9.0
445.20422	4.6
463.09021	4.6
468.16605	5.0
531.22180	16.4
531.29132	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	531.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.5
57.03461	1.6
58.00593	0.4
59.01385	16.9
60.99321	0.4
61.98841	1.0
62.86504	0.3
67.01898	1.9
69.03463	1.8
69.86969	0.3
71.01388	7.6
71.05011	0.6
72.99316	0.9
73.02958	4.6
73.50246	0.3
80.02672	0.3
80.08781	0.3
81.03472	0.7
83.01397	1.1
83.05032	1.0
84.02145	0.3
85.02953	5.2
87.00890	3.9
89.02459	1.2
93.03471	10.3
95.01394	0.8
95.05025	0.4
96.96031	0.9
97.02962	0.9
97.06605	2.4
99.00893	0.8
99.04521	0.5
101.02454	4.0
109.02916	0.5
109.06598	0.6
111.04528	1.6
112.05278	0.7
113.02448	2.4
119.03516	0.3
119.05008	0.4
121.10223	0.7
125.02447	0.6
125.09745	1.3
127.11314	2.8
129.01945	0.4
129.09218	0.4
133.02954	0.4
134.03787	0.5
135.04527	0.8
137.02464	0.4
137.09735	0.9
155.03497	0.4
155.10802	7.5
155.14447	0.6
161.02505	0.6
163.04039	0.5
163.11263	0.5
165.12865	1.8
167.14470	1.1
171.10289	16.3
172.10608	0.4
173.04546	5.7
179.03535	0.6
181.12352	0.6
183.13921	2.6
185.11897	1.5
187.07698	0.4
191.05637	5.6
193.12331	1.1
195.13969	0.5
195.72368	0.3
197.11856	1.3
200.01038	0.8
209.11809	2.7
211.13414	17.8
212.13762	0.7
213.14961	0.6
220.68359	0.4
221.11894	0.7
227.12975	1.1
229.14453	39.0
230.14763	1.6
231.10258	0.5
239.12872	0.7
247.20683	0.7
257.13873	1.0
263.42911	0.3
273.18539	0.5
275.09445	0.5
285.04102	0.3
291.19675	6.1
292.19901	0.6
306.84421	0.3
309.20724	6.2
310.21069	0.3
311.22296	3.6
327.21802	11.2
328.22305	0.9
351.06345	0.4
373.18649	2.3
374.06287	2.1
391.19800	4.6
433.20798	1.0
449.14532	7.5
471.12494	0.7
471.26007	12.9
472.26395	0.8
489.27103	16.4
490.27646	1.2
513.27094	0.7
531.28156	100.0
532.28485	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	533.0941
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.47953	1.5
56.80448	1.7
59.01384	2.3
70.72574	4.3
75.84890	1.3
89.32142	1.6
93.03458	1.5
96.95992	1.6
107.01401	2.9
133.02956	4.4
133.80772	1.7
139.56348	1.3
140.02315	1.4
149.02432	2.3
151.00365	4.2
169.92902	1.6
191.05652	4.0
199.04016	1.9
201.01906	1.6
217.05003	2.2
227.03516	2.4
239.03622	1.7
256.03665	4.3
278.98703	1.7
284.03296	65.8
285.04077	92.4
286.04446	6.3
489.10413	100.0
490.10745	10.0
507.85495	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10374	0.3
59.01379	0.6
64.35979	0.2
69.74848	1.7
79.95747	7.3
80.96538	1.9
84.88625	0.3
94.98079	0.4
95.95243	12.1
96.96021	100.0
97.95957	0.5
98.95608	2.1
110.97580	0.5
113.45721	0.3
121.02967	1.8
122.97584	2.8
142.99297	0.3
149.02452	16.0
150.02864	0.5
164.04805	27.4
165.01927	1.0
165.05188	0.7
169.44061	0.3
173.04588	0.3
177.02000	0.5
179.07150	24.2
180.04292	0.8
180.07516	0.5
189.01288	0.3
191.05589	0.5
192.04384	0.4
193.05035	0.5
195.06625	0.9
204.76596	0.3
207.06654	0.4
225.07655	1.1
227.09311	0.9
288.03067	1.3
289.03806	0.4
305.03378	6.3
350.47903	0.3
496.11673	0.3
533.13330	33.8
534.13525	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	533.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40272	0.3
59.01390	3.0
61.98812	0.3
66.42847	0.2
69.46843	0.5
69.47250	1.4
70.50938	0.2
71.01390	0.8
78.95907	1.1
79.95745	3.2
80.96509	0.3
87.00842	0.4
89.02448	0.3
93.72254	0.3
95.95255	0.8
96.96019	100.0
97.95925	0.4
98.19862	0.3
98.95615	0.7
101.02417	0.6
107.23664	0.2
109.28723	0.2
113.02475	0.3
114.93447	0.5
115.18372	0.3
137.02425	1.1
173.04637	0.5
178.73691	0.3
191.05655	0.9
195.06607	0.3
212.06950	0.6
212.47888	0.3
227.09296	0.4
236.22665	0.2
241.23265	0.3
249.68753	0.2
294.00769	0.3
305.03421	0.5
331.17755	0.9
349.18912	0.3
367.07889	0.3
369.12173	0.3
371.11624	0.3
391.19858	1.1
411.77267	0.3
429.14093	0.4
445.40463	0.3
533.12921	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50544	0.2
53.88545	0.2
57.03452	0.3
57.45692	0.2
59.01373	1.1
66.17158	0.2
67.01888	0.3
69.03425	0.2
69.79516	0.4
69.79918	0.6
71.01379	0.6
71.66591	0.2
73.02959	0.3
81.03458	0.4
83.05022	0.4
85.02960	9.3
87.00879	1.9
93.03456	3.2
98.20595	0.2
99.04503	0.3
109.02948	0.7
111.04507	1.1
125.02468	0.2
125.49437	0.2
126.06000	0.2
126.07050	0.2
127.04046	2.0
129.01965	0.2
137.02464	0.2
147.02892	0.2
152.45949	0.2
155.61028	0.2
171.03001	0.4
173.04541	1.3
191.05630	100.0
192.05978	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	533.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01370	1.1
62.68436	0.4
69.64918	2.4
71.01379	0.8
75.96182	0.4
83.04992	0.5
84.49002	0.5
85.02956	8.4
87.00911	2.7
93.03444	3.0
96.96059	0.6
98.20638	0.8
109.03032	0.6
111.04535	1.1
118.84563	0.5
127.03996	2.5
159.51347	0.5
171.03035	0.6
173.04611	0.9
191.05629	100.0
192.06009	2.4
219.71017	0.5
244.37347	0.5
360.95734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.4
61.98815	1.2
93.03434	1.8
101.56228	0.7
169.06400	0.9
173.04517	1.3
191.05637	3.4
192.06082	0.7
206.07292	0.9
207.08112	1.2
209.09697	0.9
221.09756	1.5
222.06819	0.8
223.07564	1.6
224.08434	2.1
225.09113	1.1
232.08902	4.5
233.06081	1.9
234.06886	10.2
235.07448	1.4
237.05585	1.1
237.09235	12.8
238.09923	2.1
239.10770	7.1
246.10559	3.1
247.11272	8.1
248.08511	3.8
249.09219	8.8
250.06343	1.9
250.09856	3.7
251.07155	31.3
251.10793	2.4
252.07918	100.0
253.08284	5.8
263.10834	0.8
265.12347	47.4
266.09433	2.1
266.12674	3.1
267.10275	97.6
268.10605	6.4
274.10165	0.8
275.10837	2.7
277.12250	2.6
295.13312	3.3
447.19571	2.7
515.22333	1.5
533.23444	45.2
534.23615	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	533.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	38.6
61.98832	3.6
67.01897	7.4
67.87189	2.5
69.03455	3.2
71.01384	15.2
71.54449	3.2
73.02953	3.8
85.02522	2.1
85.02957	15.5
87.00879	11.0
89.02454	2.9
92.70289	2.2
93.03473	49.5
101.02436	7.4
111.04514	7.1
113.02375	2.6
113.80599	2.3
114.49290	2.4
119.03539	2.3
119.05037	9.6
119.91809	2.2
121.50863	2.6
127.04031	3.0
134.03769	4.5
135.04541	8.3
137.02423	3.3
145.02991	7.8
151.00380	4.6
159.04477	3.8
163.04007	8.4
171.10287	4.4
173.04559	45.6
173.43083	2.2
187.07663	15.7
189.05516	3.4
191.05634	100.0
192.05911	5.7
199.07642	7.4
215.07166	5.0
231.06644	2.8
257.08218	7.0
285.04367	3.3
285.20761	5.2
287.05170	3.6
413.12473	5.8
429.24854	8.2
429.58734	2.4
447.26038	3.6
451.14108	5.6
471.25873	3.3
489.27020	40.7
490.27432	3.0
495.16678	19.6
496.16913	2.9
497.17209	3.3
515.18945	2.8
522.09424	2.7
533.19934	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	534.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82897	0.4
72.03454	0.4
73.14297	0.5
73.89494	0.4
74.89804	0.4
78.95911	22.9
98.20008	3.3
98.20722	1.7
121.01856	0.5
122.00137	0.8
140.01190	6.3
152.99588	1.6
196.03812	13.4
214.05028	2.3
230.40636	0.6
255.23311	100.0
256.23721	4.8
305.00171	0.5
316.64944	0.5
368.77722	0.6
452.27853	55.4
453.28110	3.5
491.96707	0.5
534.27435	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	535.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
61.18612	1.7
61.98827	2.4
68.95516	2.0
69.31291	15.4
71.01388	2.6
83.01384	4.4
85.06626	3.3
87.00847	2.1
93.03467	2.9
96.96028	9.9
99.00885	5.0
109.02949	9.8
115.00375	3.1
115.95555	1.9
121.06585	2.4
129.05595	11.9
135.04518	3.1
137.02438	2.9
145.03040	2.6
147.04546	5.7
148.05336	5.7
149.06091	100.0
161.02443	8.6
163.04019	6.0
165.05594	7.7
175.03987	17.3
177.01956	10.4
187.03970	1.9
189.05637	2.4
190.03145	2.0
191.03543	2.6
191.05600	3.2
193.05057	17.5
206.02316	2.4
206.31960	2.1
219.03029	37.4
231.03020	2.0
231.06619	3.1
233.04556	13.0
237.04068	59.8
237.06493	3.6
238.04369	4.6
259.02429	5.2
275.05536	2.2
277.03580	6.6
293.06662	3.2
313.09155	2.4
316.07571	1.9
319.04541	8.7
337.05682	84.9
338.06131	5.2
381.08279	6.2
399.09195	6.4
439.08731	5.3
481.09854	13.8
499.10925	60.1
500.11182	5.5
535.08112	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	535.1825
Annotation	Scrophuloside A1
Peak:m/z	Relative Intensity
59.01385	9.4
61.98833	6.1
69.20170	5.1
69.20599	3.2
71.01390	5.6
73.02937	1.3
85.02945	1.1
89.02437	4.4
96.96007	1.1
101.02430	3.4
108.02169	4.1
109.02950	5.4
113.02457	1.8
119.03508	2.4
121.02965	2.7
122.03738	1.4
123.04529	3.8
124.01664	1.3
124.87430	0.9
134.03738	1.3
135.04541	1.5
136.01761	0.9
136.05315	1.0
144.40984	0.9
146.03748	2.9
147.04535	46.1
148.05244	2.6
149.02438	1.8
150.03246	6.4
158.03741	4.1
159.04541	18.5
160.05316	25.0
161.06088	8.2
162.06888	0.9
163.04031	4.6
164.04790	11.7
173.04729	1.3
173.06064	4.8
175.07652	24.3
175.09081	1.7
176.07967	0.8
177.05588	5.8
178.06367	7.0
191.05711	1.0
192.07886	1.6
193.05038	1.0
193.08696	2.5
251.06963	1.0
252.07899	3.6
259.92920	0.8
267.06619	2.3
268.07437	18.2
269.07864	1.5
282.09021	1.3
283.09796	25.4
284.10391	2.5
297.11295	2.0
298.12100	12.1
299.12891	5.5
314.11862	1.0
329.13971	100.0
330.14185	6.4
341.67044	1.0
373.12939	26.1
374.13275	0.9
437.06262	1.0
529.46802	0.9
535.18250	38.5
536.18707	3.6
544.64606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
57.03440	2.3
58.00602	2.5
59.01384	100.0
60.01723	0.8
65.23051	0.4
66.16606	0.3
67.23050	0.3
69.03461	0.5
69.51340	1.7
70.11021	0.3
71.01389	55.1
72.01723	0.6
72.99323	3.0
73.02953	13.3
73.03367	0.7
75.00899	0.5
83.01398	5.0
84.02185	0.5
85.02962	16.1
86.10925	0.3
87.00889	2.8
88.58762	0.3
89.02452	50.4
90.02760	0.5
92.44234	0.3
93.03455	0.8
95.01408	5.0
96.96027	1.7
97.02951	0.8
99.00878	2.4
101.02454	32.6
102.02784	0.5
113.02463	37.9
114.02789	0.5
119.03513	21.6
123.20578	0.4
125.02420	1.1
125.77659	0.4
129.01953	0.4
131.03511	2.8
136.01642	0.4
137.02393	0.5
143.03514	5.1
149.04584	2.8
149.05646	0.5
152.01109	0.4
155.03513	0.5
161.04576	10.4
173.04478	1.2
179.05617	9.7
183.93317	0.3
191.05560	1.6
199.09663	0.5
203.05537	0.5
214.51340	0.4
221.06934	0.3
287.74347	0.3
301.03296	0.4
302.75079	0.3
331.17734	0.6
361.22028	0.5
475.21912	14.9
476.21713	1.1
493.22931	13.0
494.22952	0.6
535.24933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92131	1.1
59.01389	15.1
61.98837	1.3
64.69054	1.0
71.01368	1.8
71.53556	2.2
72.93975	1.2
73.63614	1.3
86.02385	1.3
89.02448	1.3
101.02475	1.8
113.02465	1.6
161.04634	1.4
171.98486	1.1
235.07965	1.7
239.20192	100.0
240.20529	4.4
253.09290	10.2
279.23270	4.0
280.23593	2.0
477.27985	1.7
535.24084	6.1
536.24664	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	536.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69157	1.0
58.00607	1.3
59.01388	67.3
60.01711	4.1
61.98837	100.0
71.01387	26.5
71.54196	1.4
72.01722	1.9
72.99282	1.6
73.02953	20.1
83.01391	6.1
85.02950	7.2
87.00876	1.8
89.02454	19.8
93.03458	2.6
95.01383	1.7
96.96030	3.4
101.02454	29.0
102.02805	2.2
104.05107	1.1
113.01846	1.4
113.02477	16.1
114.02792	1.7
119.03564	7.1
131.03499	3.8
132.04573	6.0
133.04900	2.5
134.06160	2.9
135.06525	1.9
143.03531	3.0
147.04549	1.1
149.04585	7.1
152.01160	1.9
160.05244	1.0
161.04596	15.1
162.04884	1.7
173.04588	2.6
173.06030	1.3
176.03517	2.4
179.05545	1.4
191.05574	4.6
221.06702	6.7
280.11679	2.2
314.07755	1.6
324.10791	2.1
330.14392	1.6
436.18079	1.2
460.18036	5.5
476.22067	2.4
494.23312	3.4
504.17123	25.0
518.18604	1.4
536.19366	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	536.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95683	0.9
54.87552	0.9
56.93245	0.8
59.01387	45.4
60.99309	3.0
61.98837	100.0
71.01384	4.0
73.02957	1.4
77.58492	0.9
81.81458	0.9
85.02938	1.2
88.98818	19.3
89.02449	3.1
98.20646	3.7
101.02459	2.2
112.40742	0.9
113.02460	2.5
119.03500	0.8
123.08192	1.1
138.19446	0.9
147.04530	6.9
148.04849	3.2
159.04512	2.8
160.05322	5.8
161.04500	2.1
161.05724	2.6
163.03987	1.3
163.11281	1.7
164.04736	1.8
165.05173	1.2
173.06145	0.9
175.07603	3.0
176.08006	2.2
178.06400	1.7
189.12772	1.6
191.05531	1.1
207.13974	4.2
225.15028	1.7
251.26181	0.9
268.07336	2.5
269.07727	3.0
283.09702	3.2
284.03305	9.1
284.10159	5.0
285.00995	1.3
285.04099	19.1
298.11697	1.2
299.12564	3.3
300.13068	1.1
329.13983	7.9
330.14328	18.0
373.12888	1.9
374.13373	5.2
387.20151	1.8
429.21133	2.8
447.09338	21.7
536.18561	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	536.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	45.4
60.01709	1.5
61.98836	100.0
62.26425	0.8
71.01395	10.0
71.53689	1.5
73.02950	4.3
81.30028	1.0
82.95427	30.6
83.01381	1.8
84.95129	6.4
85.02956	3.6
89.02457	6.8
92.66571	1.0
96.96022	1.8
99.00894	1.5
101.02443	7.1
113.02447	5.3
114.02788	1.0
118.94226	1.5
119.03493	2.2
126.76867	0.9
143.03528	1.0
153.50893	0.9
161.04523	2.5
167.03503	1.9
191.05608	2.3
207.13991	0.9
272.70990	1.0
330.14240	1.8
357.76556	0.9
369.18982	1.1
387.20261	4.7
407.26276	1.2
429.21295	3.0
476.22128	1.9
479.24030	1.2
499.81741	1.1
536.30725	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.7
60.01726	1.5
60.99316	13.6
61.98837	52.8
66.39722	1.0
69.45831	8.4
73.16003	1.0
85.02960	1.5
87.00883	1.7
88.98817	90.9
89.02475	1.2
93.03461	1.7
98.20745	1.3
107.01341	1.2
133.02966	2.1
147.04491	2.8
148.04790	1.1
151.00375	1.2
159.04510	1.4
159.40463	1.1
160.05283	1.4
176.07985	1.1
181.89449	1.0
191.05583	2.5
194.57593	1.3
199.03912	1.5
207.13852	1.6
233.03696	1.1
284.03308	37.0
284.06488	1.8
285.04077	80.6
286.04321	4.6
323.01926	1.3
327.05322	1.3
329.13757	2.1
330.14294	4.2
331.14478	3.7
407.27670	1.0
447.09348	100.0
448.09756	7.5
537.18811	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	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44274	0.9
55.01870	1.5
57.03436	1.7
58.00601	3.2
59.01386	48.2
61.98827	2.8
64.48401	1.0
69.66872	4.3
69.67290	2.1
71.01391	49.6
72.99332	2.1
73.02946	5.0
75.00881	1.8
83.01391	3.3
85.02957	12.5
87.00887	4.3
89.02454	53.2
93.03459	5.2
95.01387	4.8
96.96027	8.9
99.00898	1.9
101.02454	23.9
108.02191	1.1
113.02459	20.7
119.03516	18.6
121.02956	6.9
122.03750	10.7
122.06120	1.2
123.04543	2.0
131.03534	2.6
133.02930	1.4
135.04591	2.2
136.01692	8.7
137.02493	1.4
138.03157	1.0
143.03519	5.2
144.69829	1.1
146.03766	1.0
147.04506	1.5
149.02457	52.2
149.04498	3.2
149.28874	1.0
150.03242	76.4
151.04027	13.9
159.02916	1.3
161.04593	14.3
162.03236	1.8
163.04004	1.8
164.04797	12.3
165.05585	66.8
166.05937	2.5
173.04628	1.7
175.07677	2.4
177.05592	2.6
179.05647	21.7
179.07140	2.3
180.04391	5.7
191.05600	11.1
195.06642	36.5
196.06934	1.7
197.06091	2.1
205.77795	1.4
221.75114	1.0
279.06839	1.3
283.09760	3.3
312.10037	14.6
315.12344	1.4
317.90320	1.1
323.09946	1.1
324.89075	1.4
327.12393	100.0
328.12851	6.1
339.12558	1.5
375.14548	4.1
379.40234	1.1
447.14035	2.9
489.17853	10.4
537.19916	25.6
538.20331	1.8
540.39417	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	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48007	0.6
60.50674	0.5
71.08100	1.2
72.00916	0.7
82.02991	2.4
100.04026	0.7
127.05156	0.5
128.03563	3.6
150.01741	19.4
151.02090	0.6
165.10329	2.2
167.04408	9.9
167.11819	1.1
168.01546	13.9
168.02783	1.5
168.04301	0.5
186.02629	0.6
208.09540	1.5
212.01820	1.2
213.12466	1.2
235.10651	100.0
236.11003	3.6
279.05011	10.4
279.09647	43.8
280.04938	0.8
280.10059	1.3
297.05667	0.7
302.13434	0.9
346.12546	3.2
364.13635	1.5
431.21555	0.8
449.22260	3.0
493.21527	2.1
537.20721	3.6
538.20441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2286
Annotation	Tubonolide A
Peak:m/z	Relative Intensity
59.01386	0.7
61.98837	2.3
70.84106	1.2
80.30111	0.4
93.03475	0.5
95.68978	0.4
96.96028	0.8
97.89210	0.4
101.82060	0.4
122.65394	0.4
136.01651	0.7
146.86293	0.4
151.04057	0.9
159.24672	0.4
173.04562	0.5
174.51228	0.4
191.05626	0.9
211.07722	0.7
237.09207	0.5
309.11325	0.8
415.91446	0.4
429.14944	6.9
431.16486	6.0
442.15875	0.5
449.17606	1.2
455.16574	4.2
456.16843	0.9
457.18619	2.1
472.99863	0.4
473.17758	3.4
475.19150	3.4
493.20279	3.3
499.19476	1.0
501.20972	1.4
519.21906	5.1
520.22113	1.0
537.22888	100.0
538.23169	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	538.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23912	0.2
52.43141	0.2
54.10819	0.2
59.01381	1.0
61.98835	100.0
68.72826	0.2
71.01392	0.6
73.02946	0.4
78.03082	0.2
87.89963	0.2
89.02453	0.5
96.96026	0.5
98.20670	0.5
101.02470	0.3
113.02473	0.3
141.08162	0.2
149.02458	0.3
150.03195	0.5
165.05600	0.5
191.05626	0.6
229.43733	0.2
279.86932	0.2
297.03876	0.2
491.19153	1.0
495.19217	0.6
539.21674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.8
60.97530	0.6
61.98836	100.0
71.01387	7.9
71.55256	0.6
72.99323	0.9
73.02953	2.1
83.01408	1.0
85.02956	4.3
87.00893	1.4
88.04066	0.9
88.98808	1.0
89.02454	2.1
91.55145	0.6
93.03473	5.9
95.01350	0.9
96.96015	2.9
99.00888	1.3
100.04063	3.0
101.02451	6.0
101.21638	0.5
105.31024	0.5
109.03004	0.7
111.00884	0.8
113.02466	3.3
119.03536	1.1
120.99674	15.2
121.02973	0.8
128.03482	1.0
128.28548	0.6
133.02986	0.7
134.03760	8.7
135.04547	0.8
137.02460	9.3
139.04013	0.9
148.89941	0.6
149.06079	2.8
152.01231	0.9
161.02470	1.2
161.04607	1.3
167.03519	0.9
173.04564	3.4
174.04895	0.8
177.01959	0.7
178.02710	5.6
179.03497	1.3
181.05078	1.0
191.03735	1.3
191.05652	6.6
193.05072	12.3
194.05440	1.1
200.17944	0.5
205.05128	0.6
206.05878	1.8
221.08200	2.9
281.06705	4.0
287.22351	1.5
333.08997	1.0
348.27505	0.8
375.27573	0.9
376.27267	0.6
387.14496	1.0
399.14749	0.9
420.60785	0.6
434.34073	0.7
461.27924	0.7
475.12488	25.0
476.12750	2.3
510.32654	3.4
521.14990	3.2
537.33148	2.9
538.19519	1.2
538.32458	21.9
539.17847	0.9
539.33557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87439	1.0
59.01374	5.1
60.01730	1.4
61.98837	30.2
65.85778	1.1
69.84331	5.9
71.01391	2.6
71.52905	1.2
72.97534	1.1
78.85383	0.9
79.95737	1.7
85.02953	1.6
89.02464	1.9
93.03484	2.2
96.96009	6.6
101.02443	1.5
110.93077	1.1
111.04546	1.4
118.94225	1.5
120.01263	100.0
133.02983	1.4
148.04115	1.0
152.55043	1.0
161.02422	3.4
173.04587	3.6
178.02652	1.5
179.05673	1.3
191.05580	9.7
192.04227	1.2
193.05144	1.3
223.06229	1.4
275.02448	1.3
281.04099	1.2
358.10172	1.2
359.11255	3.3
475.17032	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	538.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.9
60.37537	1.0
61.98540	1.7
61.98838	25.4
68.16523	1.1
70.82200	2.5
70.82552	1.5
71.01371	2.4
88.98798	1.5
89.90030	1.0
93.03460	2.6
96.96026	6.0
101.02374	1.7
120.01266	100.0
134.03767	1.5
137.80424	1.1
161.02444	2.3
167.03395	1.2
173.04552	3.3
173.76093	1.1
179.03453	1.4
191.05688	7.3
211.04341	1.5
359.11490	2.3
475.16968	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	538.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24590	0.3
51.01324	0.3
51.12482	0.2
57.83308	0.2
59.01384	28.0
61.98808	0.3
70.20335	1.1
73.36458	0.3
78.95912	19.1
80.68877	0.3
85.32430	0.3
93.55730	0.2
96.96956	0.3
122.98501	0.3
152.99580	3.3
168.04317	2.9
221.19077	1.0
224.04620	0.3
224.06937	8.6
239.20174	100.0
240.20526	5.3
242.07996	2.3
436.68481	0.4
464.27841	63.5
465.28195	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	539.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.3
64.47449	1.1
71.01390	29.7
72.99281	2.0
73.02950	2.1
83.01424	2.3
84.17577	1.1
85.02952	3.8
87.00870	7.8
89.02452	31.4
91.29994	1.1
92.92811	11.2
94.92525	3.7
95.01429	1.3
95.70184	1.2
101.02450	18.0
105.01975	1.2
108.90217	12.2
110.89946	2.8
113.02475	11.6
119.03534	7.7
126.98926	1.1
131.03494	2.7
132.78792	1.0
141.01848	1.5
143.03493	4.4
149.04578	1.6
161.04558	6.1
165.04028	4.6
168.93086	1.5
179.05626	29.8
191.05647	1.4
221.06703	11.2
222.19827	1.3
233.06699	1.7
242.86362	2.1
244.90895	1.4
272.27829	1.3
281.08664	1.6
293.87460	1.2
323.09879	3.8
341.10828	5.0
377.08478	6.0
383.12067	1.9
503.16260	100.0
504.16422	5.9
539.13873	38.8
540.14703	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	539.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72304	1.7
59.01385	58.1
61.98836	44.2
64.64086	1.6
71.01389	35.7
71.53866	1.6
72.99300	1.9
73.02563	3.4
73.02952	43.9
73.25810	1.4
83.01391	12.4
85.02962	9.2
87.00877	4.9
88.98801	4.4
89.02444	10.5
93.03474	7.5
96.96034	6.4
97.97720	1.8
99.00887	2.4
101.02453	33.4
113.02473	10.7
119.03480	3.4
120.01286	8.8
120.99657	2.7
121.02935	5.3
122.03735	15.0
123.04488	2.6
131.03494	2.3
133.02977	4.6
135.04503	2.2
136.01605	1.8
149.02449	31.6
150.03241	97.3
151.03548	2.7
161.04546	4.9
164.04785	5.1
165.05585	93.5
166.06256	4.0
173.04501	3.0
180.04265	6.0
181.08691	8.2
187.11667	4.7
191.05685	9.8
195.06636	50.2
225.07719	2.9
248.14977	1.7
275.13257	2.1
313.61172	1.8
314.11606	5.5
315.12277	2.3
329.14026	10.2
343.13876	17.0
357.15445	2.5
407.17490	4.2
413.72107	1.9
453.18161	3.1
491.19278	100.0
492.19489	8.2
495.19107	94.8
496.19363	8.8
539.20886	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	539.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89335	2.8
58.28801	3.6
59.01387	100.0
64.63821	3.1
65.59029	3.0
70.87168	3.4
71.01391	7.0
71.53554	4.9
77.57136	3.3
78.95897	11.1
87.92568	4.6
89.02414	3.3
93.03492	6.1
96.96021	32.1
96.97021	3.6
121.02916	4.6
127.03985	4.2
127.17151	3.1
135.04596	4.0
135.29256	3.7
137.02448	5.2
141.00714	4.8
141.01723	63.4
153.60843	3.3
158.92438	3.5
171.94673	15.5
191.05603	7.7
217.00096	6.2
268.26709	3.7
330.52975	3.6
397.17322	7.2
399.77234	3.7
458.54370	3.3
539.10547	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	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
57.95610	1.5
59.01387	36.4
61.98837	46.5
69.71780	7.6
71.01012	1.9
71.01391	25.3
72.99317	1.8
73.02555	2.3
73.02954	29.3
76.71634	1.2
83.01410	9.8
85.02959	7.8
87.00861	3.8
89.02456	7.5
93.03498	6.3
95.01370	2.5
96.96031	9.0
98.20634	2.4
99.00857	1.4
101.02459	24.8
113.02444	8.2
119.03497	3.0
120.01277	5.3
121.02927	6.1
122.03751	12.8
131.03549	2.3
133.02959	4.0
134.03711	1.6
135.04538	1.5
136.01639	1.4
149.02446	34.7
149.06137	2.5
150.03244	100.0
151.03618	1.8
155.28036	1.3
161.04591	2.6
164.04793	5.4
165.05591	98.8
166.06259	5.3
173.04501	1.6
179.05620	1.6
180.04327	9.2
181.08717	5.5
187.11592	2.7
191.05621	10.7
195.06639	46.6
225.07709	1.5
271.23303	1.4
275.13168	1.6
314.11560	3.8
329.13937	11.2
343.14011	18.2
407.17471	2.2
491.19281	95.0
492.19934	7.6
495.19083	48.0
496.19565	4.5
539.21515	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	539.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.2
63.96246	1.2
69.03436	0.5
71.01389	7.3
71.09019	1.1
73.02945	2.0
78.95913	3.3
78.98598	5.7
79.95741	11.2
80.96525	64.1
81.03457	0.7
85.02966	3.0
87.00885	2.8
94.98093	14.5
95.01395	0.8
96.96017	1.0
97.02941	1.6
99.00803	0.5
101.02458	2.5
106.98082	3.2
122.97578	3.7
125.02430	2.5
127.04057	0.7
134.97607	5.1
136.99185	1.2
148.99133	5.9
152.02429	0.5
152.03928	0.5
152.98654	4.8
156.85791	0.5
163.80409	0.5
164.98643	10.4
168.04318	0.8
206.99719	1.6
224.06949	1.0
224.98672	1.0
225.00743	12.8
233.71007	0.6
239.20255	2.8
241.21759	18.2
265.61362	0.7
295.28635	0.6
299.04465	3.3
374.99152	0.6
466.29459	9.9
519.41901	0.7
539.25354	100.0
540.25708	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	539.2865
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
50.07807	0.3
53.68530	0.3
55.01896	0.4
55.92271	0.3
58.00582	0.9
59.01385	29.7
60.99306	0.4
61.98839	2.1
70.55189	0.9
71.01388	12.7
72.99302	1.3
73.02952	9.9
78.95885	0.3
79.95754	0.4
81.03465	0.4
83.01392	2.5
85.02958	3.2
87.00885	1.1
88.98825	2.1
89.02454	5.2
93.03452	0.7
95.01388	0.9
96.96017	2.3
99.00896	0.8
99.04536	0.5
101.02451	10.4
109.47504	0.3
111.04549	0.4
113.02461	3.0
119.03504	1.4
119.05002	0.3
125.02429	0.4
128.03583	0.4
130.01482	0.3
131.03493	0.5
135.04514	0.6
145.02954	0.4
145.06596	0.5
152.01180	0.4
152.06339	0.3
158.03757	0.4
161.02409	0.4
161.04579	0.8
163.04027	0.9
166.03510	0.3
173.04555	1.2
173.06099	3.4
176.04852	0.6
177.05522	0.3
177.09238	0.3
191.04112	0.4
191.05620	2.3
191.07158	0.6
201.05576	7.1
219.06630	4.5
220.07419	0.4
317.13940	4.5
317.21234	12.1
318.21469	0.7
334.45386	0.3
335.22229	0.7
381.11804	0.3
419.24536	0.5
424.19394	0.3
479.26401	4.0
480.27408	0.4
495.18530	0.6
497.27612	6.0
498.28226	0.4
539.28638	100.0
540.28973	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	539.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01386	17.3
60.99303	1.3
61.98830	1.8
62.85006	0.6
71.01402	5.1
71.54755	0.9
73.02957	2.1
79.95727	0.8
80.76444	0.6
83.01392	0.8
85.02958	2.5
87.00868	1.3
88.98820	10.3
89.02451	2.9
93.03468	1.6
95.01376	0.8
96.96029	4.8
99.04536	0.8
101.02454	5.5
101.96363	0.7
108.02183	0.7
113.02446	1.8
119.03519	1.0
119.05040	1.2
125.02449	0.8
133.02982	0.7
135.04532	1.8
143.03491	0.7
152.01088	1.1
161.04474	0.8
163.04019	1.3
167.03540	1.6
173.04585	2.3
173.06111	3.4
176.04892	1.4
177.05600	0.7
179.03548	0.9
184.47362	0.7
191.05640	5.9
191.07187	1.1
193.04924	0.7
201.05588	8.1
219.06662	5.5
317.14053	4.3
317.21249	14.5
333.20840	0.9
335.22321	20.4
336.22711	0.9
388.40466	0.7
479.26538	47.1
480.27057	3.5
497.27606	25.8
498.28067	2.6
508.17429	0.7
527.24628	0.9
539.28668	100.0
540.29022	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	539.2867
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
55.01884	0.8
57.03454	1.1
58.00610	0.6
59.01387	100.0
60.01725	0.4
61.98840	0.5
63.87250	0.3
69.03475	0.5
69.34193	1.8
69.34598	0.9
71.01392	20.1
72.99339	0.9
73.02958	7.3
75.00883	0.6
80.42907	0.4
81.03478	0.4
83.01391	3.7
85.02964	7.6
87.00892	2.5
88.98819	0.6
89.02459	9.2
93.03456	2.5
95.01385	2.0
96.96030	1.4
97.02965	0.5
98.20679	0.7
99.00916	2.3
99.01466	0.4
101.02460	14.9
111.00935	0.9
111.04553	0.7
113.02461	9.7
119.03520	2.8
119.05006	0.5
125.02470	1.9
133.02892	0.5
133.85043	0.4
134.03712	0.4
135.04599	0.8
143.03523	2.5
149.04602	0.7
159.03030	0.6
161.02524	0.7
161.04558	4.7
167.03433	0.4
173.04646	2.0
173.06024	0.6
179.05688	1.4
183.14030	0.4
191.05653	5.3
191.07195	0.7
192.05977	0.4
193.05167	0.5
201.05627	0.9
211.13425	3.9
219.06592	0.5
224.60303	0.4
242.97040	0.4
245.19315	0.5
252.76892	0.4
257.19122	0.6
275.20233	0.7
285.18970	0.7
317.14020	0.9
317.21387	1.7
333.20920	1.6
335.22333	11.7
335.26190	0.7
336.22543	0.5
347.22217	4.9
377.23349	5.6
378.23911	0.5
379.21436	1.2
417.22879	0.4
431.24557	1.5
449.14737	0.5
461.25684	0.6
477.25513	0.5
479.26569	29.2
480.26898	2.3
497.27625	24.9
498.28119	1.4
539.28723	4.2
540.30035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.1
63.36916	0.4
71.01367	0.7
77.03076	0.3
78.95917	16.4
79.95748	0.5
80.96539	2.6
94.98106	1.0
98.19949	0.9
107.35566	0.3
107.70033	0.3
115.33706	0.4
148.99156	0.4
152.99646	2.6
164.98701	0.6
168.04343	2.3
193.33664	0.3
224.06950	7.1
241.21761	100.0
242.08020	1.9
242.22070	4.5
299.04260	0.4
414.17572	0.3
466.29437	61.4
467.29660	4.5
497.53500	0.3
540.25696	4.9
541.19507	1.8
549.69604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0661
Annotation	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)
Peak:m/z	Relative Intensity
51.16259	0.3
57.03441	0.8
59.01390	4.3
61.98830	4.4
71.01387	2.0
73.02959	0.8
79.95736	4.3
80.96523	2.0
81.75266	0.3
83.01395	0.5
84.95127	0.4
85.02958	1.1
87.00881	0.9
89.02441	0.6
93.03462	1.3
94.98122	0.5
96.96022	100.0
97.95972	0.4
101.02464	2.4
108.02184	0.6
109.02954	1.0
111.04604	0.3
113.02451	0.9
122.97607	0.9
123.04549	0.4
125.02496	0.4
136.21021	0.3
137.02452	0.9
138.97095	1.1
150.97061	0.8
151.00407	0.4
152.01212	0.8
152.98648	6.5
153.01892	0.5
161.02534	0.4
173.04608	1.8
177.05595	0.8
178.05858	0.4
180.98128	2.3
183.10298	0.4
188.60355	0.3
191.03909	0.5
191.05640	3.3
209.35100	0.3
219.06627	0.6
220.07358	0.7
241.00252	80.7
242.00636	2.0
256.03796	1.0
284.03281	24.9
285.03656	0.9
299.05624	26.0
300.05942	1.3
375.78510	0.4
425.78021	0.3
449.14777	0.4
450.17703	0.3
504.74759	0.3
541.06616	35.5
542.06940	2.4
566.55188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91028	6.5
58.35466	6.4
59.01387	100.0
61.42252	6.1
69.46712	50.3
69.50714	6.4
70.02449	6.8
71.01390	60.4
73.02959	69.1
79.22694	5.2
83.01382	20.3
85.03016	8.6
87.21770	5.5
89.02456	7.0
92.05275	6.2
93.03434	7.9
96.96005	8.1
101.02454	58.1
105.23779	6.8
111.19039	5.9
113.02472	14.0
125.02423	9.4
161.04562	11.3
176.04294	6.4
191.05692	12.8
203.47702	5.6
275.20126	27.0
291.07132	7.0
293.21176	14.0
433.03662	7.4
455.26285	14.0
497.27695	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69901	0.4
59.01377	0.9
63.96238	0.9
69.98872	0.7
69.99207	1.8
71.01395	6.2
73.02956	1.7
73.32834	0.4
78.98605	5.2
79.95749	8.3
80.96525	62.5
81.03439	0.6
83.01358	0.4
85.02954	2.4
87.00881	2.9
93.03551	0.5
94.98096	13.7
94.98688	0.9
95.01380	0.5
96.96023	1.3
97.02969	1.0
99.00926	0.6
101.02462	1.5
106.98092	2.6
122.97580	2.8
125.02466	2.3
127.04050	0.8
134.97586	3.9
136.99176	1.4
148.99168	5.9
152.98653	5.1
164.98657	9.7
167.00372	0.5
206.99744	2.8
225.00784	12.5
226.00992	0.4
241.21674	2.2
299.04388	2.7
397.69000	0.4
541.26910	100.0
542.27386	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	541.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
60.99316	15.1
69.22467	4.4
71.01388	0.6
78.95877	0.5
79.95737	0.7
80.96529	1.5
88.00398	1.0
88.98815	100.0
89.02445	3.2
93.03457	0.4
94.98098	0.7
96.95991	3.8
100.61951	0.5
101.02451	0.5
117.38264	0.5
158.92757	0.4
173.04619	0.4
191.05602	1.0
209.11755	0.5
214.52261	0.5
224.56142	0.4
225.00774	0.7
246.36111	0.5
318.61691	0.5
344.39377	0.4
435.58670	0.5
541.16089	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01384	0.5
71.01372	0.9
71.53787	0.3
74.99102	0.3
78.95905	0.5
79.95746	3.4
81.65938	0.2
82.04289	0.3
85.02953	0.3
93.03461	0.5
96.96021	100.0
99.04536	0.8
101.02406	0.4
107.13129	0.2
114.93441	0.4
123.00897	0.7
124.01662	1.4
125.02508	0.4
128.83713	0.2
136.99217	0.4
138.03201	0.5
139.04047	1.2
162.22261	0.2
165.05482	0.3
173.04578	0.3
175.04115	0.3
191.05716	1.1
198.99268	0.4
199.69366	0.2
253.97346	0.4
259.01312	0.3
274.80939	0.2
286.99838	0.3
297.03598	0.2
299.05966	0.3
343.10510	0.5
349.11447	0.2
367.03342	0.3
373.85730	0.2
397.91214	0.3
399.06201	2.0
441.07272	1.4
445.13318	0.3
483.21167	0.2
543.11542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04186	0.4
57.63128	0.3
59.01388	9.8
61.98834	2.0
65.00346	0.8
70.71784	0.9
70.72108	0.3
71.01382	2.1
73.02954	0.8
79.49669	0.4
83.01416	0.6
85.02959	2.3
87.00887	1.3
89.02438	1.9
93.03483	2.6
96.96017	0.8
101.02450	1.2
107.01402	1.2
108.05495	0.3
109.02959	0.4
111.04591	0.5
113.02450	1.5
119.03519	1.1
125.02465	0.9
127.04012	0.5
149.02446	0.7
151.00386	4.1
161.04593	0.4
173.04570	3.3
173.12131	0.4
177.01909	0.5
185.06216	0.4
191.03787	0.5
191.05635	9.5
192.05948	0.4
195.86177	0.4
198.06918	0.4
199.03983	0.4
199.07590	0.5
201.09235	2.1
203.03476	0.9
227.07092	0.5
229.08713	0.7
231.03027	0.7
250.07016	0.4
255.02989	4.0
255.06779	0.5
269.04529	1.1
279.06711	0.4
281.04501	0.7
282.05234	0.7
283.02518	2.7
284.03210	1.6
285.03925	0.6
285.11581	0.5
293.04581	0.4
293.18396	0.4
295.06128	0.9
296.07031	0.4
297.04041	14.0
298.04712	2.2
305.04486	0.6
309.04071	27.1
310.04730	2.9
319.06262	0.6
322.04858	0.7
323.05554	4.7
323.08960	0.5
324.06378	3.2
330.03867	0.6
335.05673	0.7
335.09244	1.5
336.06262	0.6
337.03506	2.2
337.07187	8.9
338.04089	0.5
338.07788	0.7
351.08722	3.2
351.12347	0.6
352.09531	23.0
353.10306	37.9
354.10632	2.4
363.08859	0.9
366.18121	0.4
367.11792	0.5
369.13235	0.6
380.08945	0.7
381.09830	16.5
382.10220	1.2
395.11469	0.5
446.08627	3.0
481.17117	0.4
483.29663	0.7
499.12598	0.9
515.15778	2.6
543.15100	100.0
544.15338	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	543.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05285	0.5
57.03458	0.7
65.00328	4.8
69.21538	0.9
69.21933	4.5
77.58294	0.5
83.01395	1.7
92.23147	0.5
93.03442	0.5
93.66137	0.4
96.96032	0.6
98.20657	1.1
104.96493	0.4
105.18456	0.4
107.01395	5.0
109.83208	0.5
123.04560	0.7
124.01701	0.5
125.02452	8.6
128.88332	0.5
134.61217	0.5
137.02423	0.9
149.02339	0.7
151.00392	21.0
152.01004	0.7
153.01923	0.7
161.02448	2.8
163.00433	0.5
165.01932	1.6
167.03555	3.1
171.04526	0.5
172.05327	3.6
173.04573	0.6
175.00365	1.7
175.04013	1.5
177.01788	0.6
182.03711	0.6
183.04541	0.9
185.06129	2.1
186.06853	0.9
187.03990	1.4
187.07646	1.1
191.03915	0.5
191.05611	2.5
195.04572	0.7
196.05316	1.2
197.06044	1.1
199.03889	0.5
200.04793	2.7
200.08347	0.7
201.09218	1.8
210.06824	1.0
211.07719	3.5
213.05580	0.9
214.02843	0.8
214.06398	1.1
215.07141	1.1
224.04770	1.5
226.02600	0.8
227.03517	1.0
227.07120	2.1
229.08707	7.5
235.24811	0.5
237.05554	1.1
240.04265	1.1
241.04976	0.8
242.55902	0.5
249.05608	0.7
251.03429	0.6
251.07092	0.8
253.08713	2.5
255.06645	7.9
261.05634	2.7
262.06161	0.7
263.03601	0.6
263.07285	0.5
264.04218	2.1
265.05090	1.1
266.05643	1.1
267.02945	0.5
277.05151	1.1
277.08630	1.0
279.06638	1.1
280.03790	1.2
281.04565	1.2
283.02414	0.6
293.04620	0.7
293.08212	0.8
294.08939	0.5
295.09769	2.2
305.04633	7.3
306.05283	1.8
307.06137	1.9
308.03311	15.7
308.06619	0.7
309.03989	7.0
309.07712	1.7
313.11044	0.6
319.09583	0.7
321.04132	1.6
321.07614	0.8
322.04794	1.7
323.05634	3.2
333.04102	2.8
334.04825	2.1
335.05582	1.2
335.09219	1.1
336.06400	2.5
337.07193	18.3
338.07690	1.1
347.05161	0.6
351.05051	1.6
352.05917	0.9
363.08762	2.1
380.09244	2.8
381.09821	55.7
382.10205	4.8
423.10852	0.7
471.09229	0.8
508.58035	0.6
520.62720	0.5
525.13940	1.4
543.15100	100.0
544.15485	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	543.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41910	1.1
55.74155	1.1
56.24479	1.2
57.03444	2.1
59.01377	2.2
63.02394	1.6
65.00329	20.9
69.45042	8.1
69.66030	1.1
81.03471	1.2
83.01394	11.3
84.64980	1.2
85.02978	1.9
93.03493	2.4
97.02993	1.3
107.01402	29.5
123.04528	3.8
124.01669	1.8
125.02452	33.2
131.41582	1.1
140.52052	1.1
149.02415	1.8
151.00381	90.3
152.00719	2.8
161.02443	3.7
165.01868	2.1
167.03548	5.7
172.05315	8.9
173.04482	2.1
174.03149	1.9
175.00357	11.4
185.06030	2.0
186.06837	3.5
191.05635	9.3
191.11688	1.2
199.07661	3.8
200.08421	2.0
201.09221	100.0
202.09558	5.4
209.06110	2.0
212.04860	2.6
223.07684	2.3
225.09285	1.8
226.06238	1.4
227.07103	4.8
229.08702	58.1
230.09001	2.6
236.04808	1.3
237.05580	2.7
239.03496	2.1
249.09233	1.9
251.07121	7.3
252.07907	3.5
253.08740	5.6
255.02921	2.6
255.06612	16.0
277.08652	4.5
279.06589	17.4
280.06921	1.3
281.04550	1.5
283.02545	1.8
289.08749	1.7
290.09274	2.1
291.06744	2.6
291.10089	1.4
293.04547	1.1
293.08084	2.9
295.09613	1.5
308.03140	3.5
309.04053	17.1
310.04147	1.7
318.09119	1.5
319.06268	2.1
319.09784	4.5
323.05710	1.3
323.13052	1.5
333.07663	3.7
334.08414	6.2
335.09137	8.6
337.03577	2.8
338.04059	1.5
338.08127	1.3
351.08893	1.6
353.10315	11.0
362.08051	11.5
363.04114	2.7
363.08765	75.9
364.09085	6.0
381.09814	78.1
382.10110	5.8
387.08865	5.8
405.09805	16.5
415.03195	1.2
417.09753	1.7
446.08667	1.8
480.39731	1.4
515.15704	2.1
525.14020	80.2
526.14233	10.4
543.15094	99.4
544.15436	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	543.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26389	0.5
51.52378	0.6
71.25163	1.2
125.09808	1.0
133.77727	0.5
162.84113	0.7
206.07480	1.0
215.81038	0.5
220.08936	3.1
234.06995	1.8
235.07739	0.7
248.08435	3.3
249.09224	13.5
250.10065	2.4
275.57294	0.6
439.17023	0.8
465.14941	4.2
466.15588	2.0
471.19760	0.9
477.14404	0.9
479.16510	10.8
480.16998	1.1
481.18082	37.5
482.18451	4.2
499.19193	100.0
500.19516	12.7
543.18127	74.1
544.18408	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	543.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44788	0.4
57.64587	0.3
59.01402	0.4
71.08172	0.6
94.93523	0.3
96.95935	0.4
97.06600	0.5
125.09761	3.2
128.63222	0.3
135.72443	0.3
138.82899	0.4
157.08701	0.8
158.87039	0.4
159.10211	1.3
171.10182	0.5
187.09694	0.6
188.52818	0.3
191.05531	0.8
205.06438	0.4
206.07297	0.6
209.06012	0.5
218.07291	0.4
219.08171	2.1
220.08908	3.6
221.09782	2.6
223.11191	0.7
231.08089	0.7
234.06882	2.2
235.07538	0.8
235.11162	0.5
237.09033	0.8
246.06747	1.9
247.07639	2.6
248.08430	3.0
249.06894	0.6
249.09213	8.0
250.10057	2.2
259.07535	1.4
260.08276	1.6
261.09177	2.6
262.06488	1.7
262.09933	2.3
263.07166	3.1
263.10782	3.9
264.07941	4.2
265.08392	0.8
265.12390	0.5
267.10086	0.4
275.10690	0.4
277.08762	0.6
277.12109	0.6
279.10059	1.0
291.06464	0.5
292.07413	6.7
293.08224	12.9
294.08292	1.0
298.99994	0.4
303.10297	0.5
396.13217	0.4
401.21667	0.8
403.22998	0.7
407.16251	0.8
408.13376	0.6
417.89288	0.4
423.14243	0.4
425.15240	0.5
437.15378	0.4
451.12741	0.8
454.15247	0.8
455.16003	0.4
465.14911	3.0
466.15796	0.9
467.16293	0.7
468.17673	0.4
469.18146	2.0
470.18472	0.9
471.19507	1.0
479.16788	3.8
480.16571	0.5
481.18198	13.2
482.18823	2.7
483.19345	0.7
484.20236	0.7
494.14868	0.6
497.21857	2.5
499.18900	7.2
500.19397	1.6
509.17184	1.4
510.18350	2.6
525.19995	8.0
526.20740	1.2
543.17877	100.0
544.18256	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	543.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80366	0.4
59.01387	2.1
67.01886	0.8
69.89348	1.9
71.01381	2.0
78.33173	0.3
83.05025	0.5
85.02959	10.4
87.00909	2.6
93.03465	6.9
96.96047	0.4
97.06579	0.5
99.00846	0.4
99.04500	0.5
101.02485	0.5
109.02953	1.0
111.04523	1.4
113.02457	0.5
119.05022	0.4
127.04022	2.4
128.49664	0.3
130.48900	0.3
144.92935	0.3
151.11290	4.3
162.83961	0.4
169.12239	0.6
171.02988	0.6
171.05690	0.4
173.04568	4.2
173.05936	0.7
185.06085	1.2
189.05618	1.5
191.05621	100.0
192.06007	2.3
200.08418	0.9
201.09395	0.5
209.11830	0.5
211.03952	0.5
214.06303	0.4
215.07072	0.4
226.06375	4.6
227.06975	0.7
228.07866	0.9
229.08704	3.3
239.07130	0.5
253.12128	0.4
254.05856	8.7
255.02991	0.8
255.06566	3.3
256.07382	1.5
261.09302	0.8
262.09949	0.8
273.07651	0.5
274.71161	0.4
283.02655	0.8
325.14401	0.8
330.51883	0.4
351.12418	4.3
401.12643	0.8
418.12534	0.5
428.11163	0.4
428.55121	0.4
446.08337	0.4
461.11072	0.5
511.29160	1.5
543.18695	14.9
543.31860	1.0
544.18848	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99473	4.0
59.01382	67.9
61.45071	4.8
61.98844	8.1
69.86802	17.7
69.87207	9.3
71.01373	38.0
73.02950	20.3
83.01392	7.6
85.02956	15.3
89.02441	11.2
93.03467	11.8
96.96042	5.9
101.02451	21.7
113.02462	11.2
133.66321	5.2
163.31898	5.5
164.38542	5.6
165.48065	4.3
173.04588	7.2
178.77808	4.7
191.05623	37.3
209.11934	6.2
225.11128	4.9
248.08405	16.0
249.09250	32.9
255.03047	15.3
277.21671	17.3
283.02576	12.0
295.22839	9.1
296.82635	5.1
388.00790	5.5
439.26929	10.0
446.08694	13.6
457.28052	32.4
457.48840	6.0
479.16211	7.9
481.17831	7.0
499.19196	47.4
499.29260	100.0
500.29730	8.9
513.39282	5.1
516.39478	4.9
543.17999	40.5
543.28168	7.4
544.18317	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	543.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18172	3.4
51.63513	3.5
59.01387	65.2
61.98827	5.4
69.86681	17.9
71.01406	30.7
73.02943	19.4
75.47334	3.9
81.06529	3.7
83.01418	6.0
85.02948	8.6
87.00864	6.3
89.02413	8.4
93.03455	12.3
101.02466	21.8
113.02426	5.3
118.59792	3.8
119.05081	3.9
140.96877	3.7
173.04547	5.1
191.05606	29.7
207.56972	4.0
209.11894	9.0
247.07689	4.0
248.08437	11.5
249.09158	30.8
254.33867	4.1
255.02917	14.9
277.21771	10.8
283.02570	8.7
287.11414	4.0
295.22949	7.7
306.89102	3.8
334.32397	4.6
432.75586	4.1
439.26929	13.8
446.08539	11.1
457.28171	35.4
499.19153	44.2
499.29077	100.0
500.19193	6.1
500.29459	11.2
501.17316	4.5
543.18134	45.7
544.18250	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	543.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75769	1.0
55.05381	1.0
59.01385	100.0
64.32897	1.1
71.53815	1.4
80.07829	1.0
89.35777	1.3
96.74361	1.1
121.13783	1.1
143.35884	1.0
169.88649	1.1
209.11879	2.5
255.23314	3.3
277.21667	3.1
285.01715	1.1
477.12555	1.2
483.27475	2.3
497.22775	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	545.061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39973	0.1
59.01374	0.3
69.62567	0.8
71.01400	0.2
78.37212	0.1
79.95751	3.1
85.02952	0.2
93.03450	0.2
96.96022	100.0
97.95941	0.3
173.04588	0.3
181.78120	0.1
191.05629	1.3
192.05975	0.1
284.03372	0.3
285.03986	0.7
353.06659	0.5
447.09500	0.9
545.19537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15428	0.3
57.03450	0.5
59.01389	2.5
59.46534	0.4
60.99290	0.4
61.98830	1.1
67.01907	0.7
69.31965	3.0
71.01394	1.1
73.02960	1.0
77.40204	0.3
77.75157	0.4
79.95763	3.3
82.57447	0.4
83.05033	0.5
85.02968	5.9
87.00881	2.4
89.02464	0.7
93.03468	5.7
96.96022	100.0
98.19940	0.6
98.95547	0.4
101.02436	0.7
108.02178	0.8
109.02961	1.2
109.23131	0.3
111.04528	1.2
113.66801	0.3
119.05054	0.5
121.03040	0.4
123.04527	0.7
127.04028	1.3
134.03714	0.5
137.02472	0.6
138.03204	0.4
139.04044	0.5
145.02989	1.1
146.03740	2.9
147.04543	3.1
155.03555	0.5
157.02948	0.8
159.04485	0.8
161.02534	0.5
163.03972	0.4
169.58975	0.4
171.02977	0.4
173.02356	0.7
173.04559	3.7
175.00584	0.4
175.04018	1.0
185.02484	0.9
191.05635	44.2
192.06029	2.0
196.05249	0.5
209.06117	1.2
210.06818	0.6
211.07611	2.2
213.05717	0.5
221.06108	1.1
223.03981	0.7
224.04816	0.7
229.01460	7.1
233.06029	0.4
237.05553	2.6
237.09360	0.4
238.06346	2.2
239.03619	0.6
240.04352	1.2
248.04794	1.5
249.05595	3.6
250.06322	1.9
252.04318	1.5
255.02843	0.6
265.05081	10.1
266.05869	28.9
267.06500	5.9
268.07217	0.7
269.04495	0.6
276.04269	1.0
277.05051	2.5
281.08206	14.5
282.08664	1.3
283.09677	1.7
285.04178	0.6
293.04593	3.4
294.05377	10.4
295.05771	0.4
299.09326	0.4
308.06900	0.8
309.07693	10.6
310.07935	0.9
319.02606	0.5
325.07132	0.7
327.08755	0.7
327.15930	0.4
338.04364	1.5
353.06686	88.0
354.07022	6.0
371.07840	0.8
371.14835	0.7
447.09265	0.4
463.75403	0.4
501.14215	0.8
545.12537	1.1
545.19623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98843	0.3
67.01900	0.4
69.24866	2.2
69.54465	0.2
71.01375	0.7
73.02960	0.3
79.95739	3.6
80.91694	1.7
85.02956	2.9
87.00880	1.4
93.03468	1.7
96.96022	100.0
101.02454	0.4
108.59612	0.3
109.02999	0.4
111.04522	0.3
119.05006	0.3
127.04031	0.5
145.02962	0.5
146.03726	0.7
147.04482	0.6
157.02901	0.3
159.04494	0.4
161.89066	0.2
163.04045	0.3
173.04558	1.0
176.27446	0.2
191.05635	17.0
192.05998	0.7
195.06612	0.3
209.06079	0.5
209.11821	0.9
210.06866	0.3
211.07652	2.6
223.03986	0.3
224.04865	0.5
229.01395	3.2
237.05678	0.5
238.06334	0.7
240.04266	0.5
248.04895	0.3
249.05663	1.5
250.06259	0.5
252.04343	0.8
265.05093	3.5
266.05853	10.8
267.06543	2.0
276.04172	0.4
277.05093	1.2
281.08218	5.4
282.08664	0.3
283.09827	0.4
285.04037	0.7
293.04465	1.8
294.05292	3.6
309.07773	4.0
338.04385	0.5
353.06686	33.7
354.07025	2.4
371.14917	0.5
424.71747	0.3
447.09467	1.0
468.71790	0.3
545.25580	0.8
553.47809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.5
61.98832	1.5
67.01881	2.4
71.01369	3.8
73.52738	1.2
81.03451	1.7
81.23208	1.2
83.05038	3.2
83.72794	1.0
85.02942	10.9
87.00888	9.4
89.02430	2.1
93.03468	24.7
96.95983	3.8
97.02920	1.3
109.02931	2.1
111.00860	2.1
111.04498	4.3
113.02441	2.0
127.04015	2.7
133.02885	1.4
134.49306	1.1
137.02400	3.5
155.03391	1.4
171.03032	1.7
172.05223	2.0
173.04567	21.1
173.05994	1.5
187.07732	1.7
191.05629	89.1
192.05931	3.7
199.04065	1.6
200.04710	1.8
203.10696	3.4
206.07167	1.3
209.11655	1.9
209.54745	1.1
209.83356	1.3
211.13394	2.0
215.07147	11.2
217.00266	1.8
223.07626	1.4
225.85739	1.3
227.03471	2.6
227.07137	2.2
230.09360	1.2
231.10155	3.4
233.06668	1.6
234.06871	2.8
236.04782	5.4
247.07541	1.5
248.08432	2.7
249.05489	1.3
249.09207	18.2
250.06268	2.7
250.09488	1.2
251.07140	16.8
252.07765	5.6
253.09175	1.9
255.06635	2.1
256.07358	2.9
263.10760	2.5
265.15695	1.2
275.09198	2.6
276.09930	1.3
281.07803	2.3
281.10498	2.3
283.13370	3.7
290.18365	2.0
291.19223	2.3
307.19171	2.0
309.14944	1.6
309.20505	4.1
327.15811	1.4
345.02444	1.2
353.13806	5.5
371.14868	2.6
399.14893	3.2
404.14706	2.3
411.13455	1.5
426.12592	1.9
439.13333	3.0
441.15125	2.1
453.15100	11.7
455.16553	22.9
456.16879	3.0
467.13034	1.6
481.14273	4.5
483.16101	19.8
484.16171	1.9
501.17093	100.0
502.17511	10.3
545.15906	88.3
545.24066	4.4
546.16162	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
62.05254	0.2
67.01897	0.6
68.44326	0.2
71.01382	1.5
73.02950	0.4
75.85502	0.2
81.03439	0.4
82.49306	0.2
83.05040	0.5
85.02959	9.8
87.00896	2.3
93.02880	0.2
93.03470	4.7
95.01399	0.5
99.00882	0.2
99.04520	0.6
99.55584	0.2
101.02445	0.3
109.02969	1.1
111.04519	1.5
127.01631	0.2
127.04033	2.3
129.05562	0.3
135.04491	0.4
155.03465	0.4
171.02998	0.6
173.04575	2.3
183.04541	0.7
186.06873	0.3
191.05640	100.0
192.05978	2.4
197.06085	0.5
199.04008	0.3
211.04034	1.1
211.07773	0.2
224.04900	0.5
225.05600	1.0
226.02722	0.8
226.06320	0.4
226.10017	0.3
227.03523	0.9
227.07187	0.3
227.10873	0.3
238.06313	0.3
239.03564	0.4
239.07140	0.5
240.04205	0.2
241.05190	0.3
251.03558	0.2
251.10860	1.2
252.07889	0.6
253.05057	0.8
253.08813	1.5
255.06610	0.3
255.13977	1.8
267.06836	0.4
267.10257	0.8
268.11014	0.7
278.09460	0.3
279.10483	0.3
279.13675	0.3
281.04630	0.9
281.08255	1.0
281.12000	0.3
281.15421	1.1
283.13434	1.0
295.09735	1.3
296.10580	0.6
309.11548	0.4
309.14917	2.5
311.12836	0.3
324.10001	1.8
325.10889	0.3
325.14505	1.7
327.15955	0.4
335.13092	0.6
353.13962	21.1
354.14182	1.7
371.15082	1.7
510.87610	0.3
537.07373	0.2
542.56879	0.3
545.20367	2.0
566.05096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
57.11171	0.3
59.01386	2.6
60.99306	1.4
63.87436	0.3
65.03970	0.4
67.01572	0.4
67.01900	4.2
68.77627	0.3
69.03448	1.1
69.55584	2.3
71.01397	2.1
73.02935	0.3
81.03455	1.2
83.05043	0.7
85.02961	9.5
86.86396	0.3
87.00887	7.8
93.03466	26.6
93.37840	0.3
94.03812	0.8
96.96015	1.2
99.00898	0.7
99.04528	0.9
109.02950	1.2
111.04538	4.1
113.02430	0.6
127.04043	2.3
129.01917	0.8
131.38371	0.4
137.02426	0.8
151.00371	0.5
154.02754	0.5
155.03485	1.2
155.04861	0.4
158.03690	0.6
158.07382	1.6
159.04474	0.6
171.03012	1.1
171.04480	0.5
172.05266	0.7
173.04572	17.9
173.06026	1.1
174.06821	0.5
182.03751	0.5
183.04523	0.7
186.06880	3.3
187.04102	0.5
187.07671	1.8
189.04024	0.7
189.09204	0.4
191.05624	100.0
192.05974	1.7
199.04030	1.2
200.04865	1.7
200.08519	0.4
201.05540	1.0
201.09279	0.6
211.07631	0.8
212.08405	0.6
214.06386	2.8
215.07141	11.0
227.03520	1.6
228.07941	1.7
229.08614	1.8
230.09486	0.6
231.06596	0.4
231.10291	0.5
233.06642	3.2
253.09346	0.3
255.06642	1.2
256.07434	9.8
257.07916	0.6
264.96497	0.3
274.08560	0.9
309.14767	0.4
309.20813	0.6
311.12674	0.6
353.13950	1.0
371.14984	1.1
383.11417	0.4
448.10144	0.5
545.20447	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	545.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70853	0.2
52.77707	0.2
57.03446	0.5
57.20918	0.2
59.01375	1.7
60.99297	0.3
63.26624	0.2
67.01901	1.6
69.03453	0.7
69.82942	0.2
70.84301	0.4
70.84658	0.3
71.01388	1.3
73.02927	0.4
81.03447	0.5
83.05019	0.6
85.02954	10.9
87.00883	3.3
93.03468	9.0
94.03821	0.4
95.01398	1.8
96.96027	1.1
99.04516	0.6
104.80165	0.2
104.90449	0.2
109.02932	1.0
111.04518	2.1
112.02781	0.2
119.05037	0.4
125.02422	0.2
127.04006	2.6
129.01991	0.2
133.89668	0.2
137.02487	0.4
143.03477	0.2
149.11420	0.2
151.00320	0.3
151.05719	0.2
155.03484	0.5
163.04056	0.5
171.03003	0.6
173.04558	7.5
174.04964	0.2
183.04584	0.2
185.06088	0.2
191.05626	100.0
192.05971	2.9
197.06085	0.3
209.06172	0.3
211.04091	0.4
211.07617	0.5
215.07118	0.3
225.09218	0.8
226.10036	0.2
227.10693	0.3
233.06560	0.5
237.05623	0.6
237.09149	0.4
239.07220	0.7
239.10751	0.4
253.08725	0.7
254.09520	0.7
255.06625	0.5
255.10356	0.8
255.13907	1.2
257.11868	0.6
265.08832	0.3
265.12366	0.4
267.06448	0.4
267.10294	0.5
278.09546	0.2
279.10324	0.9
280.11108	0.4
281.04593	0.2
281.08197	0.4
281.15485	0.3
283.13416	2.4
295.09814	0.6
296.10516	0.2
308.03366	0.2
309.11539	0.3
309.14963	2.1
311.12891	1.7
323.09280	0.6
324.10080	0.7
325.14386	0.3
327.12338	0.5
327.16061	1.3
337.44000	0.2
353.13965	16.4
354.14343	1.4
371.15057	2.5
371.24625	0.2
381.09573	0.4
383.11005	0.7
393.77914	0.2
545.20508	1.0
545.28027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34347	1.8
59.01384	9.6
60.29276	1.8
60.58023	1.9
61.20452	2.3
67.01892	5.3
71.01376	3.0
71.54274	2.3
71.54690	2.1
73.02927	3.0
83.05029	2.6
85.02936	13.8
87.00870	8.7
93.03467	39.8
96.96007	7.7
97.06607	1.9
102.12070	2.0
102.82468	2.2
111.04519	5.5
125.09642	2.7
127.04062	2.2
133.02986	3.0
137.02460	4.3
142.60960	2.4
144.97423	2.2
145.06708	2.0
173.04576	28.5
174.03267	2.0
185.06137	2.1
186.06862	2.4
191.05630	100.0
192.05846	3.9
193.06206	2.5
197.11806	2.3
201.41646	2.4
206.68854	2.0
211.13451	2.6
215.07129	8.1
217.00323	3.3
238.10002	9.4
248.08470	4.2
249.09273	2.1
251.07025	4.7
253.09329	2.4
255.06615	2.5
256.07346	4.1
263.10718	17.6
265.08737	14.8
266.09470	34.3
267.09860	2.8
281.11868	44.7
282.12164	2.6
283.13428	2.9
291.19583	3.5
309.20544	6.4
325.14468	3.8
353.13644	3.4
433.26859	2.1
545.18237	11.8
545.25122	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	547.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.98843	0.3
66.74754	0.3
68.99821	0.3
70.42522	0.6
70.42885	0.5
71.01384	0.8
76.97051	0.3
79.39919	0.2
79.95747	9.2
80.96521	5.5
85.02984	0.2
85.44916	0.2
87.00904	0.3
89.02452	0.5
93.03454	0.4
95.95244	45.0
96.96021	100.0
100.17693	0.2
101.02487	0.5
109.02938	0.3
113.02470	0.3
122.97539	0.3
123.00948	0.4
125.99608	0.3
137.02448	1.9
138.03265	0.6
139.04018	0.4
149.02451	0.3
153.01932	0.5
153.05598	0.9
159.04556	0.3
163.00424	0.9
164.04874	0.5
165.01941	11.3
168.04323	0.3
173.04541	0.4
173.84436	0.3
178.02731	1.6
179.47371	0.2
180.02707	0.5
180.04297	10.8
181.01465	0.6
183.06636	0.7
191.05655	1.4
193.01442	0.8
193.04988	1.8
195.06647	15.4
196.06937	0.4
198.51274	0.3
200.42896	0.2
207.06586	0.3
208.03802	0.8
211.06104	1.8
223.06154	2.7
241.07222	3.6
244.00455	0.6
251.07138	0.3
252.07906	0.3
275.02335	19.1
276.02515	0.7
282.08929	0.3
303.01813	4.1
304.02405	0.3
311.09222	0.7
336.01654	0.6
341.10327	1.1
377.12814	0.4
385.13367	0.3
467.15506	0.9
517.09900	0.3
529.10663	0.5
547.11310	12.0
547.19196	1.1
548.11255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75703	0.3
59.01393	0.6
69.71120	0.7
69.71534	1.4
73.37877	0.3
93.03461	0.5
96.96019	0.5
98.20636	0.6
137.25499	0.3
191.05640	0.8
210.12320	0.3
211.07678	0.7
222.10492	0.5
223.07660	0.5
225.09290	0.4
231.08138	0.7
232.08960	12.5
233.09363	0.5
237.09171	0.8
237.12897	0.4
238.10042	0.5
239.10757	1.0
245.09711	2.1
246.10515	7.2
247.11290	17.7
248.08456	0.9
248.11592	0.8
249.09149	0.4
250.10045	0.4
251.07089	1.0
251.10846	0.9
252.07957	0.7
253.08681	0.7
263.10858	1.9
264.11487	1.3
265.08786	21.9
265.12350	100.0
266.09457	19.0
266.12653	6.9
267.09912	1.3
275.10800	1.1
277.08658	0.7
277.65848	0.4
278.09506	5.3
279.10120	2.0
281.11853	39.5
282.12192	1.9
298.08453	1.4
358.76862	0.3
445.32455	0.4
475.15164	0.5
529.20697	0.5
542.68591	0.3
547.25647	5.2
548.24780	1.1
570.79047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.7
70.20802	47.6
80.60268	11.6
93.03458	43.5
96.40226	13.5
98.20011	17.1
121.22499	9.9
173.04604	26.9
185.76982	11.4
191.05608	69.4
192.05960	30.7
193.06053	21.2
209.11789	23.6
242.11995	13.0
253.09283	35.2
299.03864	12.2
311.22296	100.0
547.20868	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38563	0.2
57.03453	1.8
58.00600	0.4
59.01390	2.4
60.87640	0.3
60.99314	1.1
64.95839	0.3
67.01900	6.2
69.03471	0.9
71.01395	4.4
71.50395	0.3
76.85078	0.3
80.58830	0.3
81.03471	0.8
83.05032	1.1
85.02960	1.4
87.00883	0.9
87.04514	0.3
93.03468	31.8
94.03810	1.5
96.96022	4.6
97.06603	2.6
99.00889	0.4
109.02959	0.9
109.17650	0.3
111.00911	1.0
111.03774	0.2
111.04536	5.3
112.04901	0.3
113.02460	0.4
120.06027	0.3
123.08279	0.4
127.04044	0.8
135.04584	0.5
137.02463	6.0
155.03528	5.8
173.04564	100.0
174.04926	3.9
175.05014	1.1
185.11806	1.5
191.05629	7.0
192.06012	2.1
193.06097	1.5
199.13405	10.0
200.13756	0.6
211.16956	0.6
225.15060	0.4
239.16515	1.7
273.22418	0.3
285.04297	0.4
301.07211	0.6
343.24890	1.0
349.49353	0.3
355.14706	0.5
371.24329	0.3
372.24854	0.8
373.25955	32.8
374.26529	1.8
449.14954	0.4
547.31262	32.4
548.31598	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13549	0.2
56.88649	0.2
59.01377	0.4
70.19656	0.2
70.19998	1.1
75.07836	0.3
77.03973	1.4
87.20525	0.3
93.03462	1.1
99.19002	0.3
100.79289	0.2
116.40717	0.3
117.03528	0.4
119.05034	1.6
121.02970	100.0
122.03307	2.5
122.76681	0.3
135.04581	0.4
137.02527	0.4
140.83377	0.2
143.60477	0.2
145.03004	0.8
147.04494	0.3
151.00439	0.5
163.04018	0.8
165.01945	52.9
166.02248	1.6
173.04587	0.3
180.04303	0.2
180.05797	0.6
181.06625	2.6
185.59787	0.3
197.06136	2.2
207.04565	1.1
215.07021	0.3
222.05115	0.3
225.05655	1.5
251.07088	0.4
255.02998	0.3
257.09784	0.6
258.10266	0.3
267.10214	0.3
313.07220	1.3
321.10941	0.3
357.06210	0.7
374.06168	1.4
383.07965	0.6
417.09866	2.2
505.11368	1.8
513.16931	0.4
549.10388	26.3
550.10565	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	549.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98841	0.7
65.74394	0.4
69.81180	1.8
71.01383	0.6
79.95747	8.8
80.96535	1.6
94.98087	0.6
95.95248	13.8
96.96024	100.0
110.97629	0.5
120.01273	0.4
122.97616	3.1
133.44774	0.4
137.02481	3.9
141.75119	0.3
165.01955	33.0
166.02426	0.9
177.02005	0.4
179.03488	0.7
180.04312	22.8
181.04681	0.8
191.05644	1.0
192.04376	0.9
193.05032	1.2
195.06648	30.3
196.06993	0.8
207.06699	0.6
210.05389	0.6
210.48387	0.4
225.07590	0.7
243.08736	0.4
305.03400	7.2
306.03632	0.4
378.06189	0.7
549.12860	37.5
550.12915	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	549.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.8
59.01381	15.7
62.61892	1.3
65.68879	1.2
68.99831	1.4
69.31328	10.0
71.01390	18.3
72.99311	1.6
73.02954	4.2
83.01411	2.9
84.95113	3.0
85.02959	6.8
87.00874	3.0
89.02446	8.3
93.03468	62.7
94.03782	2.0
95.01384	3.2
96.96016	9.7
96.99312	2.1
98.95593	3.7
101.02443	11.6
105.03476	1.8
109.02978	1.3
113.02459	6.5
115.92093	2.8
116.92905	1.7
119.03484	2.6
119.05000	2.7
120.64264	1.3
120.99645	2.9
121.02956	5.4
123.04519	1.5
127.35104	1.3
132.02176	2.9
133.01955	1.3
133.02971	29.5
134.03763	45.1
135.04391	2.1
135.13893	1.5
135.53751	1.3
136.01674	7.1
137.02460	76.4
138.02913	2.2
139.03984	2.1
145.02985	1.5
147.04526	1.7
148.05304	3.1
149.02443	2.1
149.06104	25.7
151.00381	2.7
151.04051	8.7
152.01077	1.4
153.05605	2.1
160.01680	27.3
160.05284	1.6
161.02444	2.8
161.04581	1.9
163.04048	2.5
166.02745	8.1
173.04544	5.9
174.04897	1.5
175.04010	41.8
176.04373	2.1
177.01965	13.3
178.02727	15.3
179.03462	4.7
179.13199	1.3
181.05083	9.4
191.03662	2.6
191.05589	13.5
193.05072	65.6
194.05382	1.8
209.11905	3.2
221.04564	3.6
239.05649	1.9
252.06412	42.2
253.06630	1.8
265.12387	2.2
267.08749	100.0
268.09036	3.9
281.06699	52.6
282.06985	1.4
291.12268	1.5
339.08694	1.4
339.12573	4.4
369.13834	2.2
387.14612	15.1
467.15909	1.9
474.35757	1.4
475.12485	50.7
476.13016	2.6
487.06699	2.0
513.26941	1.8
549.16223	99.6
549.28839	11.5
550.16339	9.3
574.43408	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	549.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03450	3.7
58.00597	5.4
59.01385	100.0
60.01734	1.1
61.20247	0.6
61.98834	0.9
71.01389	85.8
71.53796	0.7
72.01729	0.8
72.99319	5.6
73.02950	7.0
75.00886	0.6
75.34762	0.5
79.95757	1.4
81.94433	0.5
83.01399	5.8
85.02961	20.9
87.00889	5.5
89.02454	90.2
90.02789	1.0
93.03473	1.0
95.01395	6.0
96.96020	12.2
97.02985	0.6
98.95592	0.8
99.00891	2.6
101.02451	53.9
102.02769	1.0
109.02953	0.7
113.02460	35.2
114.02795	1.2
119.03517	43.2
120.03921	1.3
121.02964	0.8
125.02460	1.7
128.03514	0.7
129.01985	0.7
131.03543	4.7
134.03767	0.8
137.02408	1.0
137.09700	2.3
143.03511	7.1
149.04562	3.5
155.58904	0.6
158.03741	0.7
159.02992	1.9
159.04324	0.6
161.04572	16.7
161.05902	0.9
177.01878	0.7
178.02744	0.7
179.05624	21.9
181.05138	0.8
187.02443	0.6
189.05573	0.9
189.12828	1.6
191.05618	4.2
192.04294	0.8
193.05023	1.4
200.64943	0.6
207.13861	1.0
221.06721	1.4
225.14836	1.1
241.05153	0.7
251.07233	0.6
252.64557	0.7
266.05811	1.4
267.06470	0.9
271.09891	1.5
276.39450	0.6
281.08240	0.9
282.08942	0.7
297.03607	1.9
297.11389	0.7
297.53613	0.7
299.09283	1.1
313.11035	0.6
317.97366	0.7
325.07092	0.8
369.19293	2.7
387.10898	1.9
387.20270	13.8
388.20602	0.9
506.41589	0.7
530.13062	0.7
549.25574	80.6
550.17084	0.9
550.25659	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	549.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.5
58.00618	0.9
59.01385	15.5
60.99324	1.0
67.01892	6.6
67.60107	0.4
69.03476	1.7
69.49510	3.2
71.01385	10.9
72.99355	0.7
73.02979	1.8
76.14410	0.4
81.03489	1.3
83.01420	1.4
83.05052	1.6
85.02961	4.1
87.00871	2.3
89.02453	5.6
93.03471	36.1
94.03841	0.5
95.01406	0.6
96.96035	3.8
98.95624	0.6
99.04517	0.7
100.62243	0.5
101.02460	5.2
109.02972	1.7
111.00914	1.4
111.04543	6.1
111.95442	0.5
113.02451	3.6
115.92078	3.4
116.92910	1.5
119.03533	1.7
125.02504	0.6
127.04065	0.8
134.03766	1.8
135.04555	1.6
137.02461	8.5
155.03555	6.0
161.02435	1.0
173.04568	100.0
174.04874	2.3
179.03526	0.7
184.10361	0.5
191.05638	12.1
192.05946	1.0
195.13928	3.9
213.15044	1.5
225.11359	0.8
301.20264	0.9
323.77710	0.5
355.10373	0.5
369.09985	0.5
374.06104	0.6
375.20251	35.2
375.27179	3.7
376.20486	2.0
505.26532	2.8
535.93250	0.5
544.66003	0.5
549.17310	1.3
549.25330	32.7
550.25415	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	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38651	0.6
51.93468	0.7
55.01868	1.0
57.03456	3.2
58.00607	3.7
59.01386	45.9
61.98824	1.2
67.01892	1.7
69.03466	1.2
69.64021	3.6
71.01389	26.2
71.01788	1.5
72.99315	2.5
73.02951	4.0
81.03481	1.5
82.35887	0.6
83.01402	3.1
83.05031	2.5
85.02965	9.2
87.00892	4.1
87.04493	0.8
89.02456	23.8
93.03465	13.4
95.01375	2.6
96.96029	4.3
98.19919	1.3
98.95621	1.0
99.00874	1.6
101.02451	19.2
109.03004	1.2
111.04536	7.2
113.02466	10.0
115.92088	3.0
119.03517	8.9
119.05017	2.4
134.03769	1.9
135.04497	1.4
137.02417	2.3
139.11292	2.1
141.12845	2.5
151.11325	0.8
155.03506	7.8
161.02547	0.9
163.04085	0.7
163.11285	1.6
169.12350	2.0
173.04572	29.1
173.06076	1.5
174.04958	1.5
181.12344	7.2
183.13866	1.3
187.05127	0.7
191.05629	15.5
193.05055	1.1
195.13931	12.6
199.13406	0.9
199.50925	0.6
209.11847	0.6
213.14954	5.9
225.11316	3.3
243.12378	12.7
243.96555	0.6
327.14484	2.0
339.12540	1.7
349.17874	0.8
375.20261	100.0
376.20663	4.9
387.16776	2.1
387.23599	1.3
404.17880	0.8
467.15668	1.3
549.24896	55.4
550.25214	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	549.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36558	0.1
54.65023	0.1
56.72305	0.1
61.04480	0.1
71.01398	0.1
78.95898	0.5
79.95744	2.9
96.96020	100.0
97.95949	0.3
98.95666	0.1
134.03752	0.1
146.11012	0.1
152.01176	0.2
165.32933	0.1
167.03514	0.2
193.05121	0.2
364.20349	0.1
451.26489	0.1
539.67670	0.1
549.12396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.5
59.55796	1.0
61.98845	1.3
71.01392	3.7
71.54442	0.9
73.86962	0.8
78.95905	2.2
89.02454	2.7
91.51498	0.7
100.73046	0.8
101.02438	2.3
113.02413	1.1
119.03493	1.5
152.99582	3.7
191.05632	1.7
200.88538	0.9
218.22586	1.0
235.08264	1.0
253.09317	11.2
253.21741	100.0
254.22121	3.7
294.52191	0.9
305.97046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	1.2
59.01383	16.2
63.22344	0.9
66.57773	0.9
71.01379	3.6
73.02915	0.7
73.97179	0.8
83.79436	0.8
84.35439	0.9
85.82788	0.8
87.00881	1.0
89.02445	2.3
101.02443	2.2
110.87209	0.8
113.02435	1.1
143.90721	0.8
152.99603	1.0
191.05606	1.5
196.17892	0.7
204.20883	0.9
235.08220	2.1
245.89687	0.8
253.09320	12.2
253.21739	100.0
254.22151	4.9
535.73029	1.0
542.22449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.9
57.20478	0.3
57.40328	0.3
58.00589	0.4
59.01388	4.5
60.99290	0.8
65.03943	0.4
67.01900	4.8
69.03468	1.5
71.01030	0.3
71.01390	5.0
71.05042	0.3
72.99275	0.4
73.02932	0.9
81.03447	0.9
83.05022	1.2
85.02952	1.9
87.00892	1.9
87.04514	0.3
89.02464	0.5
93.03466	30.0
94.03773	0.6
96.96024	1.8
98.95575	0.5
99.04524	0.4
99.92609	0.6
100.93304	0.4
101.02433	0.9
102.05600	0.3
109.02945	1.1
110.76230	0.3
111.00870	1.3
111.03841	0.4
111.04538	5.8
113.02430	0.8
115.04017	0.3
115.92081	7.4
116.92125	0.5
116.92874	3.6
118.32271	0.3
118.35982	0.3
119.05025	0.6
123.04552	0.3
123.08139	0.4
125.02439	0.3
127.04014	0.9
128.03511	1.2
134.03708	0.4
135.04527	1.1
137.02457	5.6
151.86145	0.3
155.03532	5.1
157.12393	1.3
157.13402	0.3
161.02481	0.6
163.03983	0.7
169.12369	0.5
171.10216	0.3
173.04561	100.0
174.04895	2.7
175.05107	0.5
176.04056	0.3
177.01906	0.5
178.02699	0.3
185.11824	1.0
191.05630	8.0
192.05977	0.5
199.13390	0.4
200.13869	0.3
210.97095	0.9
215.12939	1.6
262.86212	0.3
329.23248	0.7
342.12555	0.3
357.26645	0.8
373.25879	1.3
374.06277	0.6
374.26434	0.7
375.27518	39.8
376.27866	2.5
449.14801	0.6
467.15881	0.9
487.07428	0.4
505.26755	0.6
507.28384	0.8
519.07758	0.3
549.33173	28.1
550.33777	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36834	0.4
59.01375	2.0
60.99013	0.8
60.99316	14.1
61.98821	0.7
71.01388	1.7
71.54060	0.6
85.02960	1.1
87.00891	0.8
88.98816	100.0
89.02457	1.1
89.99125	0.7
93.03477	0.7
95.84077	0.4
96.96016	1.8
101.02456	1.2
109.02982	0.6
113.02435	1.2
119.03566	0.7
120.99725	0.5
121.02980	6.1
122.03777	0.6
133.02992	1.0
134.03769	6.8
135.04552	0.8
136.01692	0.6
137.02466	1.8
137.06128	0.5
145.06577	0.5
149.02455	2.0
149.06140	2.6
150.03278	5.1
164.04749	0.5
165.01944	1.5
165.05577	5.5
173.04633	0.6
178.02737	4.3
183.85902	0.5
191.05656	2.7
192.03090	0.8
193.05067	16.7
194.05472	0.8
195.06619	4.1
209.04558	2.6
239.05472	0.6
282.08972	1.0
297.11606	0.7
299.05652	5.9
341.10312	3.3
389.12451	2.8
461.10959	3.7
542.83240	0.5
551.17712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	0.5
59.01476	2.6
59.71260	0.3
61.98914	0.5
63.02480	0.4
64.98460	0.2
65.00432	1.5
67.01998	0.3
71.01497	1.0
71.54604	0.3
71.84460	0.2
72.99401	0.4
73.03042	0.3
79.95821	0.5
82.95521	0.3
83.01504	1.1
85.03084	0.8
87.00958	0.5
89.02551	0.3
93.03600	2.0
95.01491	0.4
96.96164	1.7
99.00982	0.3
107.01545	2.8
108.02325	1.1
109.03117	1.1
112.26783	0.3
115.92227	0.8
116.92197	0.5
116.92965	0.4
117.91998	0.3
119.03699	0.3
119.05195	1.2
121.03087	0.6
121.32114	0.2
123.00985	0.5
123.04636	0.3
124.01811	1.2
125.02611	1.0
133.03128	0.5
135.04604	0.6
137.02614	0.9
140.83821	0.3
145.03102	0.4
149.02518	0.3
150.03300	0.4
151.00383	5.8
152.01170	1.3
156.03862	0.4
158.42274	0.3
161.02452	2.3
163.04070	1.4
165.02112	0.9
165.05786	0.4
169.14740	0.3
173.04547	2.2
176.04016	0.3
179.03586	0.5
183.03119	0.4
191.05637	4.3
192.06131	0.4
201.02026	0.4
201.05441	0.3
208.05576	0.3
214.02914	0.3
220.05408	0.5
223.04080	0.4
225.02054	0.3
235.04153	0.9
236.04967	1.0
237.05696	0.6
239.03661	0.3
247.04175	0.4
248.04881	0.5
249.05768	0.7
251.03737	0.8
252.04445	0.4
260.21152	0.3
263.03448	2.5
264.04279	8.2
265.05093	1.6
266.02316	0.3
266.06332	1.3
267.03149	0.8
269.04822	0.9
275.03635	0.5
276.04636	0.3
279.03021	2.3
280.03922	0.9
281.08307	0.3
282.05551	0.5
283.02658	0.9
284.50302	0.3
285.04031	1.9
290.02347	1.2
291.03036	9.0
292.03778	3.5
293.04507	2.6
295.02484	3.1
296.03412	0.5
306.05362	0.4
307.02609	1.7
307.06201	1.2
308.03299	6.6
308.06879	0.5
309.04047	3.7
311.05508	0.5
317.04550	0.5
318.01819	0.4
318.05386	0.4
319.02432	1.7
323.05460	1.8
324.02695	0.7
330.05487	0.4
331.06097	0.4
332.03381	0.6
333.04181	0.4
335.01996	7.8
335.08133	0.4
336.02539	0.6
343.06052	1.5
346.04965	0.4
347.05490	0.4
353.04425	0.3
355.06372	0.3
357.04187	0.4
359.01849	0.4
359.05746	1.6
360.06290	0.4
370.04831	0.5
371.05618	1.6
372.06213	1.9
374.04330	0.3
387.04910	1.4
388.05994	0.8
398.04211	1.3
399.04919	2.9
400.05890	1.5
415.04404	0.6
416.05371	5.7
417.06039	0.8
418.06955	1.0
426.03732	1.5
427.04471	1.6
431.07727	3.2
433.09308	4.9
434.09827	0.3
441.06219	0.7
443.04141	1.0
444.04843	7.2
445.05084	0.5
459.07242	100.0
460.07651	7.3
477.08545	0.4
533.19531	0.4
551.11920	13.8
551.20807	0.7
552.12115	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	551.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	0.5
59.01476	2.6
59.71260	0.3
61.98914	0.5
63.02480	0.4
64.98460	0.2
65.00432	1.5
67.01998	0.3
71.01497	1.0
71.54604	0.3
71.84460	0.2
72.99401	0.4
73.03042	0.3
79.95821	0.5
82.95521	0.3
83.01504	1.1
85.03084	0.8
87.00958	0.5
89.02551	0.3
93.03600	2.0
95.01491	0.4
96.96164	1.7
99.00982	0.3
107.01545	2.8
108.02325	1.1
109.03117	1.1
112.26783	0.3
115.92227	0.8
116.92197	0.5
116.92965	0.4
117.91998	0.3
119.03699	0.3
119.05195	1.2
121.03087	0.6
121.32114	0.2
123.00985	0.5
123.04636	0.3
124.01811	1.2
125.02611	1.0
133.03128	0.5
135.04604	0.6
137.02614	0.9
140.83821	0.3
145.03102	0.4
149.02518	0.3
150.03300	0.4
151.00383	5.8
152.01170	1.3
156.03862	0.4
158.42274	0.3
161.02452	2.3
163.04070	1.4
165.02112	0.9
165.05786	0.4
169.14740	0.3
173.04547	2.2
176.04016	0.3
179.03586	0.5
183.03119	0.4
191.05637	4.3
192.06131	0.4
201.02026	0.4
201.05441	0.3
208.05576	0.3
214.02914	0.3
220.05408	0.5
223.04080	0.4
225.02054	0.3
235.04153	0.9
236.04967	1.0
237.05696	0.6
239.03661	0.3
247.04175	0.4
248.04881	0.5
249.05768	0.7
251.03737	0.8
252.04445	0.4
260.21152	0.3
263.03448	2.5
264.04279	8.2
265.05093	1.6
266.02316	0.3
266.06332	1.3
267.03149	0.8
269.04822	0.9
275.03635	0.5
276.04636	0.3
279.03021	2.3
280.03922	0.9
281.08307	0.3
282.05551	0.5
283.02658	0.9
284.50302	0.3
285.04031	1.9
290.02347	1.2
291.03036	9.0
292.03778	3.5
293.04507	2.6
295.02484	3.1
296.03412	0.5
306.05362	0.4
307.02609	1.7
307.06201	1.2
308.03299	6.6
308.06879	0.5
309.04047	3.7
311.05508	0.5
317.04550	0.5
318.01819	0.4
318.05386	0.4
319.02432	1.7
323.05460	1.8
324.02695	0.7
330.05487	0.4
331.06097	0.4
332.03381	0.6
333.04181	0.4
335.01996	7.8
335.08133	0.4
336.02539	0.6
343.06052	1.5
346.04965	0.4
347.05490	0.4
353.04425	0.3
355.06372	0.3
357.04187	0.4
359.01849	0.4
359.05746	1.6
360.06290	0.4
370.04831	0.5
371.05618	1.6
372.06213	1.9
374.04330	0.3
387.04910	1.4
388.05994	0.8
398.04211	1.3
399.04919	2.9
400.05890	1.5
415.04404	0.6
416.05371	5.7
417.06039	0.8
418.06955	1.0
426.03732	1.5
427.04471	1.6
431.07727	3.2
433.09308	4.9
434.09827	0.3
441.06219	0.7
443.04141	1.0
444.04843	7.2
445.05084	0.5
459.07242	100.0
460.07651	7.3
477.08545	0.4
533.19531	0.4
551.11920	13.8
551.20807	0.7
552.12115	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	551.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.2
60.97518	1.4
67.01888	1.2
71.01385	11.8
71.55090	1.0
72.97534	3.0
72.99309	1.6
73.02943	2.9
73.98322	1.6
74.99102	15.6
83.01407	1.6
83.05033	1.4
85.02945	5.6
87.00870	2.4
89.02456	3.7
93.03467	4.5
94.03773	0.9
96.96014	2.0
99.00881	0.9
101.02456	7.5
101.97810	2.5
113.02457	4.9
119.03513	1.8
120.99666	51.0
121.02967	1.1
129.01936	1.5
133.02960	1.5
134.03755	3.0
137.02463	3.2
138.02875	1.0
152.01070	0.9
159.03043	0.9
160.01707	1.1
161.04573	12.1
173.04564	2.4
177.01997	1.2
178.02722	1.0
179.03377	0.9
183.08159	1.8
191.05585	7.2
193.05040	4.2
194.05391	1.4
195.03325	4.8
209.11877	3.7
215.05403	5.4
215.28555	0.7
216.08014	0.9
217.06917	12.5
223.11284	29.1
224.11620	1.1
227.12862	1.1
233.09688	3.2
234.10533	1.0
238.09987	1.0
239.14546	1.4
247.11336	2.1
249.12856	60.2
250.13185	2.2
253.06943	0.8
257.82736	0.8
267.13913	100.0
268.09317	1.3
268.14258	4.9
269.09271	1.7
269.15530	1.3
301.12692	5.7
339.12344	1.3
341.10782	1.8
477.13275	2.8
491.25296	1.3
509.26462	1.7
551.19629	74.5
551.30609	10.6
552.19574	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	551.1961
Annotation	Trivalvone
Peak:m/z	Relative Intensity
58.00585	1.1
59.01384	8.8
69.90784	1.7
69.91182	2.5
71.01398	11.6
72.97534	2.9
72.99307	1.9
73.02946	4.0
73.98326	1.8
74.99101	15.7
75.47618	0.9
76.33222	1.0
83.01388	1.5
83.05036	1.3
83.61407	0.8
85.02971	5.8
87.00884	4.6
89.02444	3.2
93.03463	4.7
96.96038	2.6
98.19940	1.0
101.02458	7.8
101.97835	2.3
102.98608	1.2
113.02474	6.3
116.92910	1.1
118.98089	1.0
119.03535	2.0
120.99675	49.7
121.02993	1.7
129.01912	1.4
134.03763	3.2
135.04420	1.6
137.02446	3.6
143.03523	1.0
149.06100	1.0
160.01675	1.2
161.02403	1.2
161.04570	13.6
167.03529	1.4
173.04593	3.4
175.03967	1.3
178.02776	1.5
183.08241	1.7
191.05630	8.7
191.58914	1.0
192.05841	1.0
193.05121	3.8
194.05521	1.8
195.03345	4.0
205.47330	0.9
209.11813	4.9
215.05347	6.1
217.06911	13.8
223.11327	28.2
227.12848	1.2
233.09801	2.7
234.10472	2.4
247.11356	2.2
249.12865	55.5
250.13315	2.4
251.10707	1.0
267.13919	100.0
268.14331	6.0
269.09363	1.4
269.15427	1.4
301.12753	4.9
339.12149	1.0
341.10858	1.4
354.98886	1.0
429.19412	1.2
463.17731	1.6
477.13364	1.8
491.25153	1.8
509.26215	1.5
551.19647	78.8
551.30615	7.2
552.20105	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	551.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97905	0.5
56.65723	0.5
57.08186	0.6
59.01115	1.0
59.01388	14.8
59.29355	0.5
61.62172	0.5
64.98626	0.6
71.01387	2.0
71.24485	1.2
73.02962	1.2
75.02204	0.5
75.89257	0.5
78.95933	0.9
85.02953	0.6
88.07960	0.5
89.02463	2.2
93.03465	0.6
101.02448	2.3
113.02455	1.4
119.03496	0.9
133.05112	0.8
157.05124	0.6
161.04562	1.1
191.05666	2.1
235.08281	2.4
253.09306	13.0
255.23309	100.0
256.23676	5.5
292.67944	0.6
526.99603	0.7
529.63049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03445	0.6
59.01379	1.1
67.01914	0.5
69.03460	4.8
69.18669	1.0
69.19088	2.1
71.01389	1.0
71.05027	2.1
74.65291	0.3
80.02676	0.4
81.03465	0.4
81.52090	0.3
83.05025	0.4
88.43069	0.3
89.02476	0.6
91.04031	0.9
97.06590	0.7
99.00858	0.4
108.02177	0.4
123.08159	1.3
125.09740	2.8
137.09760	0.6
148.62761	0.3
149.09698	0.9
151.11282	2.9
153.12894	1.5
161.09727	5.7
162.10146	0.4
179.10788	16.8
180.11151	0.5
185.11864	1.1
196.37086	0.3
197.11847	81.2
198.12195	2.9
223.09795	2.9
235.20686	3.5
238.09981	0.3
241.10847	12.3
242.92079	0.3
253.21747	9.9
254.22147	0.9
297.13535	2.9
315.14502	100.0
316.14835	5.0
375.79498	0.3
433.33109	0.8
551.35962	12.0
552.36230	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	552.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41600	0.3
54.68923	0.3
59.01372	1.4
61.98851	0.3
62.38018	0.3
70.02661	1.7
71.01373	0.5
78.92503	0.4
78.95911	28.8
83.05009	0.5
91.26120	0.4
96.96986	0.6
98.20037	0.5
107.23618	0.3
152.99588	3.7
167.97919	0.3
168.04315	4.2
224.06940	11.0
233.22845	0.6
242.07980	2.9
253.21707	1.1
259.20819	0.5
275.20117	0.5
277.21732	100.0
278.22079	6.8
295.51575	0.4
502.29440	74.5
503.29785	6.7
514.20929	0.8
552.25647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
59.01629	0.2
70.10835	0.5
70.11198	0.5
71.01389	0.3
78.95915	7.0
90.65251	0.2
93.86841	0.3
98.19950	0.3
98.23830	0.3
105.90700	0.3
112.87372	0.2
123.81884	0.2
152.99632	1.4
168.04329	1.7
224.06895	0.9
233.22736	0.5
242.08003	2.8
259.20508	0.4
275.20297	0.6
277.21738	100.0
278.22049	5.6
502.29443	36.5
503.29770	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	552.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59557	0.8
59.01387	30.8
61.98834	1.4
63.42556	0.9
71.01389	1.1
73.04326	0.8
75.62272	0.9
78.95918	24.6
80.96526	2.8
93.03494	1.3
97.63601	0.8
98.38827	1.1
108.85977	1.0
130.85371	1.1
142.81541	0.9
152.71870	1.0
152.99605	3.8
156.89706	0.9
168.04311	3.7
191.05571	2.2
203.46289	1.0
224.06955	13.3
224.36018	0.9
225.00891	1.1
242.08102	2.1
253.21753	100.0
254.22090	4.7
470.64792	1.1
476.27777	1.4
478.29431	86.4
479.30093	5.5
553.26996	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	552.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	23.5
61.98828	0.8
70.16846	1.5
77.14551	0.5
78.95914	18.4
83.05037	0.7
86.63432	0.4
93.03413	0.5
98.20400	0.8
136.73947	0.4
145.82373	0.4
152.99646	3.1
168.04341	2.4
191.05627	0.9
224.06946	7.3
235.20720	0.8
242.08044	1.9
253.21747	100.0
254.22099	5.5
277.21521	0.4
279.23425	0.6
383.86176	0.5
478.29419	56.3
479.29758	3.8
552.19434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48932	0.2
59.01389	2.2
69.36394	1.1
69.36823	0.8
71.01375	0.6
73.02927	0.2
78.23705	0.2
78.95898	0.7
79.95750	3.5
80.96533	0.5
83.10194	0.2
84.11210	0.2
89.02514	0.2
93.03461	0.3
95.06439	0.2
96.96022	100.0
97.95944	0.4
101.02445	0.9
107.12803	0.2
113.02390	0.2
113.92593	0.2
114.93437	0.8
125.02526	0.2
133.02986	0.3
135.04539	0.2
161.02440	0.3
161.04671	0.3
173.04630	0.2
191.05649	0.6
221.06659	0.3
270.93280	0.2
276.61945	0.2
393.50354	0.2
467.16147	0.3
493.30154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43490	0.7
70.11132	3.7
78.95898	1.0
82.02993	2.7
84.04577	1.5
96.96013	6.4
98.19867	0.7
99.97166	1.7
128.03555	17.4
135.51198	0.8
165.99103	2.4
169.13437	1.3
183.01933	4.6
183.99294	100.0
184.99593	1.1
192.99338	13.5
198.98116	3.9
198.99825	0.9
199.98721	1.0
208.98604	1.0
211.98766	2.8
213.12518	8.0
221.06050	1.0
223.07668	1.2
224.02232	1.5
227.98268	1.9
233.02460	1.8
238.99820	1.4
247.02722	6.6
249.01926	3.6
251.03688	5.0
251.08043	19.7
257.11563	2.2
269.04730	1.6
269.08179	13.4
295.02505	52.1
295.06741	3.6
296.02856	1.6
305.08383	1.0
313.07126	1.4
316.09781	1.7
318.11356	5.0
362.10449	4.5
380.11380	12.0
403.20404	1.5
424.09839	1.9
442.18814	0.9
447.19171	13.3
465.20303	81.7
466.20590	5.4
491.18085	5.5
501.67169	1.1
509.19287	18.2
535.17102	1.8
553.09998	1.5
553.18372	24.6
554.18536	1.8
584.01654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.35
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08286	0.8
59.01369	3.8
59.77924	0.9
61.98862	1.7
63.00906	0.8
71.05025	3.6
71.08546	1.1
74.02467	1.2
78.95928	1.1
84.04564	3.0
91.01527	0.9
93.03463	2.3
96.96004	3.9
97.06590	2.6
102.05622	41.1
115.07656	3.9
121.02968	1.0
127.11332	7.8
128.03552	54.5
135.04469	1.1
137.02377	1.0
146.04614	7.8
153.12837	1.8
164.14389	1.5
167.14413	16.8
169.12363	12.9
182.15465	1.3
191.05638	6.0
211.13396	17.5
214.59566	0.9
222.66829	1.0
229.14479	14.6
252.19701	2.5
254.17635	5.4
265.21494	1.3
270.20700	1.6
272.18677	10.3
296.18747	1.6
326.23465	2.1
340.17764	2.0
347.17416	0.9
357.24020	3.0
386.24759	0.9
397.42120	0.9
424.30801	13.2
449.11719	0.9
509.36542	1.3
521.12439	1.0
535.25934	1.4
535.33917	9.3
553.34979	100.0
554.35303	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	553.375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40825	0.5
53.05348	0.5
57.03450	1.8
59.01382	1.0
64.65448	0.5
67.01912	0.8
69.03461	12.9
69.86912	1.1
69.87304	1.3
71.01392	1.6
71.05033	2.6
73.54556	0.5
83.05034	0.9
91.04017	1.0
95.01405	0.5
97.02932	0.9
97.06615	1.8
98.19995	1.0
107.05029	0.6
111.04546	1.0
123.08176	2.7
125.09721	4.1
137.09752	1.1
149.09714	1.4
151.11288	7.3
153.12868	2.1
161.09732	14.7
162.10127	0.8
179.10793	43.0
180.11128	1.6
197.11847	100.0
198.12233	3.2
220.15831	0.6
223.09825	6.1
241.10840	18.6
242.11296	0.9
255.23317	97.1
256.23639	5.5
297.13440	9.6
315.14496	19.9
316.14926	0.9
427.07352	0.5
534.43970	0.7
553.37500	89.1
554.37781	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	553.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84766	0.4
56.82240	0.4
57.03453	0.4
59.01385	1.0
69.03462	0.5
69.62427	2.1
71.01406	1.1
71.05040	2.1
83.05064	0.3
88.57732	0.3
89.02497	0.4
91.04036	0.9
97.02976	1.7
97.06600	1.4
98.19870	0.4
99.00886	9.5
109.06626	0.5
123.08167	0.9
125.09742	5.1
127.11320	1.0
129.03270	0.3
135.08205	0.4
153.12917	0.5
163.11322	4.5
181.12352	10.1
182.12672	0.6
189.09077	0.4
197.11818	1.6
199.13416	28.0
200.13744	0.8
207.10287	16.8
208.10643	0.4
225.11340	44.2
226.11661	1.3
235.20750	2.6
243.12383	16.0
244.12645	0.5
253.21780	9.0
299.14969	2.9
317.16074	100.0
318.16400	4.6
399.91895	0.4
553.37457	14.1
554.37866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	10.2
59.01937	4.0
61.98837	69.4
67.01888	5.2
71.01395	7.4
71.02949	3.8
71.04006	3.6
78.95921	3.6
84.31165	3.3
85.02959	7.2
87.00874	6.1
89.44753	3.3
93.03464	14.1
96.95989	5.0
102.05608	21.4
113.05785	3.4
119.05023	3.7
122.02461	6.3
128.03548	36.2
133.02972	6.3
135.04538	6.8
137.02440	5.1
145.02910	4.9
173.04543	8.9
191.05629	42.7
192.04289	7.2
192.05884	5.0
195.13866	8.4
207.06595	6.8
211.13377	14.0
213.14981	4.9
255.00575	6.1
255.03000	70.7
256.03662	11.9
283.02481	100.0
284.03210	35.2
285.03812	5.7
368.64856	3.7
425.29065	14.0
486.91531	4.0
491.09879	12.9
510.48334	3.6
554.33447	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98826	0.3
62.29188	0.2
63.98994	0.2
70.27695	0.2
71.14216	0.4
78.95913	5.8
79.04324	0.2
98.20345	0.3
105.97590	0.2
112.10773	0.2
117.13321	0.2
125.09722	0.7
152.99615	1.0
168.04367	1.4
171.10316	0.3
187.09837	0.3
191.05656	0.3
224.06917	0.9
242.08014	2.8
251.46127	0.2
252.94429	0.2
253.21744	0.3
261.22116	0.3
277.21948	0.2
279.23303	100.0
280.23651	5.6
480.30148	0.3
504.31006	30.8
505.31299	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	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84631	0.4
58.89331	0.5
59.01361	0.5
70.71411	0.5
70.71743	1.1
72.08326	0.4
76.38470	0.5
78.73215	0.6
78.95912	23.6
85.20492	0.5
94.09515	0.5
96.25114	0.5
98.00866	0.4
152.99600	2.4
168.04272	2.9
191.05586	0.8
224.06937	8.1
242.07954	2.5
279.23306	100.0
280.23636	5.7
287.60852	0.5
398.77713	0.6
504.31003	69.2
505.31342	5.1
529.24994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88810	0.2
59.01386	21.0
61.95406	0.2
63.54974	0.2
64.83784	0.2
66.52633	0.3
69.28672	1.9
72.53509	0.2
78.95911	18.1
80.96491	0.6
96.96957	0.3
102.06539	0.3
109.71400	0.2
122.98487	0.3
134.98604	0.2
137.14799	0.2
140.89755	0.2
152.99600	2.3
168.04326	2.5
187.61522	0.3
224.06927	9.0
242.08003	1.3
255.23308	100.0
256.23672	5.0
305.05359	0.3
377.96307	0.4
480.30975	57.3
481.31314	4.6
554.27277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94105	0.3
57.03434	0.3
59.01385	15.4
61.98827	0.6
68.47829	0.4
71.01382	0.8
71.08902	0.8
76.51096	0.3
78.95913	4.8
78.98577	0.4
79.95749	0.8
80.96519	3.9
94.98095	0.6
152.99585	1.2
164.98633	0.7
168.04338	1.1
200.74361	0.5
224.06929	0.9
225.00777	0.8
242.08005	2.7
255.23306	100.0
256.23636	5.4
279.23242	0.9
363.61560	0.4
371.40750	0.4
398.53549	0.4
480.30991	30.2
481.31244	2.0
504.31165	0.7
537.24188	0.5
554.27332	6.9
555.27618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.0
61.98833	0.4
69.66814	0.3
69.82304	0.3
69.82664	1.7
71.01383	1.9
72.99368	0.3
73.02960	1.2
75.00878	0.3
78.95901	1.9
79.95745	4.5
80.96563	0.4
83.01382	0.5
85.02962	1.1
89.02485	0.4
93.03480	0.7
96.96021	100.0
99.34284	0.3
99.92578	0.4
101.02457	1.5
108.02201	0.4
113.02406	0.3
114.93417	1.0
116.92890	1.2
118.32642	0.3
122.03753	0.5
122.06167	0.4
123.04554	1.1
125.06109	1.0
134.03767	2.0
135.04501	0.6
137.02478	0.8
139.11261	0.4
143.03549	0.4
143.07143	0.5
149.06122	0.9
152.01112	0.8
155.10840	0.5
161.02556	0.5
161.04552	0.6
167.03523	1.0
173.04578	1.2
178.02771	1.0
183.10255	0.8
191.05649	2.7
193.05043	3.9
199.09879	0.3
324.80331	0.3
333.20715	0.4
361.15143	0.3
372.12927	0.6
415.10425	0.5
469.17673	0.6
537.72186	0.3
555.11975	11.9
555.20605	1.3
555.28412	2.5
556.12280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91515	0.3
57.03437	0.4
58.13824	0.3
59.01389	5.5
69.28397	2.4
69.28812	0.6
71.01382	1.5
73.02952	1.2
78.95921	1.3
79.95743	3.3
80.96532	0.4
85.02971	0.9
87.00921	0.4
93.03460	1.0
96.96022	100.0
98.95626	2.3
98.96318	0.4
99.00910	0.4
99.92577	1.5
101.02448	1.1
109.02992	0.4
114.93430	1.1
115.92096	1.4
116.92879	7.9
134.03745	0.7
135.04556	0.5
137.02448	0.5
140.65309	0.3
143.49297	0.4
149.02449	0.4
149.05983	0.5
151.00417	0.3
151.04041	0.6
152.01210	0.7
153.21384	0.3
157.30449	0.4
157.58711	0.4
167.03552	1.2
173.04593	1.2
179.03522	0.5
191.05614	2.3
193.05113	1.1
207.48781	0.3
218.36476	0.4
233.24504	0.4
242.26437	0.3
308.59363	0.4
312.10141	0.6
333.20868	0.7
349.29440	0.3
357.13626	0.7
393.09903	0.8
401.12503	1.4
495.26431	0.4
555.12402	1.1
555.28168	2.7
556.28357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2847
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.41286	0.6
63.96240	0.7
69.03471	0.6
69.08513	0.4
69.86633	2.0
71.01389	6.5
72.99337	0.5
73.02965	1.6
75.64136	0.4
78.98608	5.4
79.95746	7.9
80.96526	60.4
81.03456	0.6
83.01366	0.5
85.02943	1.7
87.00878	2.4
91.03998	0.4
94.98100	12.9
94.98689	0.8
96.96029	0.8
97.02932	1.3
99.00889	0.9
101.02435	2.2
106.98088	3.5
122.97572	2.8
125.02471	2.9
127.03985	0.8
134.97598	4.9
136.99197	1.2
148.99144	5.5
152.98634	5.9
164.98639	11.3
186.96873	0.5
206.99739	2.4
211.89391	0.5
225.00764	13.3
255.23300	2.7
280.00684	0.5
299.04401	2.9
317.62070	0.5
391.54919	0.5
555.28448	100.0
556.28809	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	555.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30526	1.1
57.03443	2.3
59.01387	6.3
61.98838	2.6
71.01391	21.6
71.05021	4.2
71.54228	1.4
84.04516	1.5
85.02963	1.5
85.06629	3.2
86.02504	1.6
86.90855	1.2
88.04054	43.3
93.03478	3.5
96.96033	6.0
97.06595	1.1
101.02368	1.3
102.05595	1.2
103.12739	1.2
110.06130	4.9
113.06121	3.5
115.00387	15.2
119.05034	2.9
122.02454	1.8
125.02441	3.0
131.07201	9.4
132.03056	2.6
135.04520	1.7
151.00426	1.6
152.01228	1.2
154.08784	1.5
156.10269	2.9
161.02385	1.7
163.03992	2.8
167.14467	7.7
172.09853	1.6
173.04539	3.6
174.11330	10.5
191.05617	11.1
192.05966	1.9
193.50739	1.1
208.17070	1.4
210.15062	8.7
211.13400	6.2
228.16113	1.7
229.14435	2.6
238.18164	3.9
240.19656	8.6
241.18118	3.2
265.18103	1.8
269.08627	1.1
282.17303	1.8
282.20697	4.6
283.19144	1.6
285.03860	1.3
307.24127	1.6
325.24841	2.1
357.26401	2.1
440.30173	11.1
511.33789	2.8
555.32916	100.0
556.15790	2.4
556.33368	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	555.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30526	1.1
57.03443	2.3
59.01387	6.3
61.98838	2.6
71.01391	21.6
71.05021	4.2
71.54228	1.4
84.04516	1.5
85.02963	1.5
85.06629	3.2
86.02504	1.6
86.90855	1.2
88.04054	43.3
93.03478	3.5
96.96033	6.0
97.06595	1.1
101.02368	1.3
102.05595	1.2
103.12739	1.2
110.06130	4.9
113.06121	3.5
115.00387	15.2
119.05034	2.9
122.02454	1.8
125.02441	3.0
131.07201	9.4
132.03056	2.6
135.04520	1.7
151.00426	1.6
152.01228	1.2
154.08784	1.5
156.10269	2.9
161.02385	1.7
163.03992	2.8
167.14467	7.7
172.09853	1.6
173.04539	3.6
174.11330	10.5
191.05617	11.1
192.05966	1.9
193.50739	1.1
208.17070	1.4
210.15062	8.7
211.13400	6.2
228.16113	1.7
229.14435	2.6
238.18164	3.9
240.19656	8.6
241.18118	3.2
265.18103	1.8
269.08627	1.1
282.17303	1.8
282.20697	4.6
283.19144	1.6
285.03860	1.3
307.24127	1.6
325.24841	2.1
357.26401	2.1
440.30173	11.1
511.33789	2.8
555.32916	100.0
556.15790	2.4
556.33368	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	555.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74298	0.4
55.01889	0.6
57.03448	1.0
59.01389	2.5
61.67598	0.3
62.71282	0.4
69.03448	0.5
70.69872	1.2
71.01397	1.7
71.05035	3.9
75.16539	0.4
80.02697	0.4
81.03498	0.4
83.05038	0.8
84.67395	0.4
86.02821	0.4
91.04045	0.7
93.48624	0.4
95.89309	0.4
97.02991	2.5
97.06588	2.1
99.00893	15.8
100.47211	0.4
109.06603	0.9
110.03743	0.5
123.08171	1.7
125.09738	9.0
127.11300	1.3
136.05310	0.5
142.02734	0.8
143.12010	0.4
145.10295	0.4
153.12837	0.8
163.11301	8.5
164.11620	0.7
172.50111	0.3
180.92403	0.5
181.12357	14.9
182.12674	0.7
183.10440	0.5
197.11833	0.9
199.13412	31.0
200.13771	1.0
207.10284	21.8
208.10576	0.9
225.11345	57.6
226.11708	2.1
237.22327	0.7
239.93300	0.4
243.12390	13.4
244.12694	0.5
255.23314	73.9
256.23666	3.8
299.14999	4.8
317.16104	14.5
318.16171	1.0
451.70163	0.4
555.39063	100.0
556.39362	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	556.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80395	0.9
52.13951	1.0
55.01869	1.5
58.02975	1.6
69.03489	1.2
71.52870	1.2
71.53223	1.1
72.04543	1.4
73.02958	1.3
82.02989	1.8
83.01410	2.5
84.00894	1.5
84.04552	5.8
85.27280	1.0
86.06113	8.5
94.02983	4.8
96.04563	2.1
96.96024	1.1
97.03005	1.3
98.02493	9.6
108.04561	3.2
112.04069	6.9
122.06091	1.3
125.02406	1.4
126.09241	3.4
142.08783	4.8
150.05565	1.7
152.07185	36.8
153.07562	1.4
168.06664	11.2
168.99947	2.3
170.00064	2.5
170.08252	17.4
191.05626	1.3
196.06169	7.4
214.07233	100.0
214.98703	1.9
215.07527	4.4
215.13948	1.3
272.32101	1.1
274.04877	1.9
308.92480	1.0
341.93015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
65.00313	1.7
67.60786	0.4
69.19073	1.6
69.19499	3.6
71.01382	1.3
77.02194	0.4
78.95888	0.4
89.02429	0.5
89.35141	0.4
93.03448	0.5
96.96013	1.1
97.02938	1.4
101.02406	0.9
103.99284	0.5
113.02483	1.0
117.19099	0.4
121.02946	0.8
124.01682	2.3
139.04041	4.4
149.02402	0.5
151.00357	0.5
159.04478	0.7
161.02475	2.6
165.01952	5.7
171.04515	0.6
172.05289	8.2
173.04558	0.6
173.05977	1.0
175.03993	1.4
179.03532	0.9
181.05060	1.6
185.06096	4.1
186.06950	2.2
187.04021	2.4
187.07628	1.3
188.04855	0.8
191.05594	1.3
198.03229	1.2
199.03999	2.0
199.07675	1.0
200.02905	0.8
200.04800	11.2
200.08376	1.3
201.05453	0.6
201.09221	4.8
204.04271	1.2
210.06812	0.5
211.04074	0.6
211.07753	2.8
212.04704	0.6
213.05476	1.3
214.06413	2.5
215.03497	0.8
215.07082	1.3
216.04205	0.5
227.03497	0.9
227.07121	2.3
229.08705	19.6
230.09064	1.1
240.04260	1.5
246.05283	0.8
253.04878	0.6
255.06642	11.7
267.06335	0.5
269.04721	0.5
277.05084	0.9
278.05713	1.0
279.06607	0.7
283.02600	0.9
291.06870	0.7
293.04645	0.8
295.02542	0.5
295.06058	1.0
305.04526	1.3
307.06100	1.3
308.03305	1.5
308.06711	0.6
309.04349	0.9
309.07617	0.7
318.67465	0.4
319.06107	1.6
321.04297	0.9
321.07605	1.0
322.04819	2.4
323.05640	2.8
325.10760	0.8
333.03989	0.8
334.04669	1.0
335.05450	2.2
335.20590	0.4
336.06476	4.1
337.07413	2.9
351.05060	0.6
351.08780	6.2
365.06625	1.4
366.07513	1.8
377.10577	0.9
394.10245	0.6
395.11362	100.0
396.11707	7.0
437.12473	1.4
515.28381	0.8
557.16699	33.1
558.16949	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	557.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01385	20.0
62.63931	0.8
65.00323	3.1
65.12060	0.7
69.46397	3.6
69.46811	1.8
71.01389	10.9
73.02959	11.0
78.47409	0.6
78.47914	0.6
82.95421	0.9
83.01383	2.7
85.02956	2.6
87.00897	0.9
89.00356	0.8
89.02454	2.6
93.03462	1.3
95.01361	0.7
96.96017	2.1
97.02962	2.8
98.19910	1.4
101.02457	9.8
102.23527	0.6
113.02460	3.8
119.03476	0.7
121.02946	2.2
124.01665	3.1
124.34348	0.7
125.02374	0.9
130.98746	0.8
134.03703	0.9
135.04463	0.9
139.04042	4.2
145.02936	1.0
146.03789	3.7
149.02385	1.1
149.04546	0.7
150.03247	0.9
151.00333	1.0
158.03789	1.6
159.04562	1.1
161.02429	3.1
161.04547	2.7
165.01959	11.1
165.05559	2.0
167.03514	0.9
172.05330	10.3
173.02444	1.3
173.04543	3.3
173.05875	0.8
174.03270	4.7
175.04013	0.7
179.03484	1.4
183.03027	0.8
183.08131	1.0
185.06079	2.7
186.03337	0.8
186.06837	2.7
187.03911	1.2
187.07568	0.8
191.05579	3.0
199.04030	1.4
199.07625	2.0
200.04861	5.7
200.08447	1.5
201.09229	59.2
202.09497	2.2
209.06064	0.9
211.07532	0.9
212.04825	1.1
213.05688	1.1
214.06287	1.0
225.05754	0.7
227.03465	0.8
227.07130	3.2
229.08714	42.1
230.09067	1.5
237.05673	0.8
240.04422	1.0
251.03632	0.9
253.04889	0.9
255.06665	3.8
256.03879	0.7
264.04150	1.1
266.02289	1.3
267.02930	1.7
269.04431	1.0
277.05060	0.9
279.02994	2.2
280.03827	4.4
281.04773	1.5
283.02451	3.6
289.08936	0.8
291.03214	3.1
291.06274	1.2
291.10162	1.1
292.03674	1.7
295.02542	1.6
298.04733	1.2
305.04697	1.4
306.05591	1.3
307.02496	1.0
307.09900	1.1
308.03363	3.3
309.04083	3.0
311.05560	0.9
323.05548	5.0
333.04153	1.0
333.07712	1.6
334.04761	1.5
334.08481	3.4
335.09323	5.7
335.22272	4.7
337.03448	2.0
337.07147	0.9
338.04211	1.1
349.10883	1.5
351.05035	2.3
351.08612	1.3
352.05768	0.9
352.09720	0.8
362.07980	2.0
363.08881	1.1
365.10312	2.6
367.11896	23.3
368.12314	2.0
377.10321	25.3
378.10663	1.3
395.11368	100.0
396.11664	7.4
437.12161	0.7
497.27567	4.0
515.28674	1.9
539.15662	10.2
540.16107	1.6
557.16669	53.2
557.29779	35.7
558.17175	5.8
558.30048	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	557.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.92795	0.5
61.98835	1.1
65.09452	0.5
67.11519	0.5
70.84313	1.1
87.33495	0.5
93.03442	0.9
95.05044	0.7
97.06557	0.8
125.09692	0.8
128.63087	0.5
133.63342	0.6
150.82094	0.6
165.38380	0.5
171.10251	1.0
187.09648	0.8
191.05659	2.5
192.77191	0.5
210.20071	0.5
220.08968	2.9
234.06851	1.0
247.07645	0.7
248.08455	5.5
249.09209	15.9
250.09735	0.7
262.09985	1.5
263.10690	2.3
264.11578	1.5
279.10608	0.5
326.58682	0.6
342.69556	0.7
367.57953	0.6
407.77234	0.7
451.17380	0.9
464.13995	0.6
477.14407	0.6
478.15909	0.7
479.16605	4.2
480.17328	1.9
485.21051	0.6
491.16025	0.8
493.18079	8.5
494.18509	1.0
495.19708	30.4
496.19965	3.4
498.18484	0.9
513.20740	100.0
514.21082	10.0
557.19720	77.3
558.20331	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	557.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
68.48840	0.7
71.54475	0.7
78.95911	1.4
90.78839	0.6
96.96011	2.3
97.06587	3.0
98.95599	0.8
123.08186	1.2
125.09746	16.8
157.86986	0.8
159.10294	6.3
171.10265	7.0
172.34908	0.7
187.09734	4.5
191.05577	1.5
219.08102	1.5
220.08977	3.3
221.09724	1.3
234.06828	1.0
247.07600	2.7
248.08434	3.5
249.09251	7.5
261.13474	1.7
262.06290	1.2
262.09967	2.0
263.07196	4.8
263.10748	2.4
264.05487	0.7
264.07901	4.7
264.11163	0.9
277.08414	0.9
277.21774	1.9
278.22067	2.7
292.07425	6.5
293.08215	17.7
294.08688	1.0
349.32376	0.7
403.23444	5.1
408.98743	1.0
415.23334	4.0
479.16476	1.9
485.21854	0.9
493.18304	3.4
495.19791	9.1
513.20764	11.9
514.20605	1.1
523.16302	0.8
539.18805	1.9
557.19720	100.0
558.20032	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	557.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02085	0.5
61.98800	0.6
68.13499	0.5
78.95913	66.4
82.44907	0.5
96.96973	12.4
101.30790	0.7
134.98549	0.6
150.98007	1.0
152.99600	57.6
153.99965	0.7
162.20927	0.7
223.00131	2.3
241.01225	31.4
241.21753	71.8
242.22157	2.9
245.46416	0.7
259.02322	0.8
266.32748	0.6
297.82269	0.5
297.86453	0.6
315.04892	9.8
333.06152	0.7
377.21048	6.6
395.21655	0.8
557.27350	100.0
558.27704	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	557.2961
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
50.26564	1.2
53.30834	1.1
57.03444	2.9
58.00593	2.1
59.01386	72.9
67.01903	1.6
69.21825	1.2
69.22125	12.4
71.01388	44.2
72.99310	2.0
73.02951	9.0
79.95759	1.3
83.01385	5.7
85.02959	20.8
86.03302	1.7
87.00887	5.1
88.98808	3.8
89.02454	31.9
93.03463	7.5
94.03731	1.2
95.01395	4.1
96.96033	14.0
98.19920	1.9
98.95631	2.2
99.00893	4.9
101.02457	37.0
108.02182	1.6
109.02962	1.6
111.04534	2.1
113.02458	21.4
115.92092	2.3
116.92839	6.3
117.92923	1.5
118.92690	1.3
119.03525	13.4
125.02435	1.9
133.02957	1.9
135.04507	4.0
137.02440	3.2
139.00473	1.7
143.03479	3.9
151.00348	1.8
152.01146	2.6
153.01877	2.0
159.03008	3.9
161.02405	4.2
161.04561	22.1
166.99948	1.3
167.03522	6.6
171.10226	2.1
173.04611	10.4
173.05934	1.8
179.03470	2.2
179.05653	8.6
191.05621	18.5
201.05560	1.4
206.15388	1.1
215.07190	1.9
219.06581	1.7
226.02748	2.9
241.04807	1.8
254.02005	1.9
255.03003	1.9
269.04541	13.9
270.05032	1.4
275.02994	1.3
285.03714	1.3
297.04077	8.6
298.04843	10.3
299.05389	2.4
309.04034	16.0
310.04651	1.7
317.13989	2.2
327.05261	2.7
335.07571	2.7
335.22281	25.0
337.03476	2.2
351.08569	1.6
366.07501	4.1
367.08286	10.2
395.07599	3.4
395.11670	3.4
460.10202	11.6
461.10553	2.0
467.25516	1.7
497.27609	100.0
498.27881	7.7
529.13501	7.4
539.81799	1.4
557.13062	30.6
557.30231	10.1
558.13318	3.5
573.91217	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39016	0.6
55.52668	0.5
57.03446	1.2
59.01382	2.8
61.98824	3.4
62.80650	0.5
64.24574	0.6
67.01888	1.0
69.03460	6.6
70.22157	2.6
71.01377	1.6
71.05023	2.9
80.02689	0.9
81.03470	2.5
83.01397	1.9
83.05025	4.2
83.86277	0.6
84.02177	1.4
93.03462	1.4
95.05029	1.7
97.06603	1.1
109.06549	0.7
111.04585	0.9
119.05054	0.8
123.08163	2.0
125.09732	6.5
135.08167	0.9
137.09787	0.9
151.11308	5.5
153.12819	1.2
161.09740	9.5
163.03996	0.8
163.11304	4.5
165.12897	2.9
173.04572	1.3
179.10793	25.4
180.11221	0.9
185.11852	1.5
191.05600	3.0
191.10785	1.8
197.11847	78.2
198.12178	2.4
209.11844	65.7
210.12167	2.6
223.09807	4.3
227.12885	7.0
241.10814	10.8
297.13467	4.2
312.79150	0.7
315.14508	14.3
441.13458	1.1
463.27023	1.1
495.93716	0.6
507.26099	1.3
525.27081	100.0
526.27380	9.2
557.16925	0.8
557.29749	4.5
558.30255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
60.01718	0.4
61.98836	100.0
62.98544	0.2
78.95899	1.4
80.96380	0.3
92.24200	0.2
98.19849	0.4
118.69522	0.2
152.99617	0.7
224.06970	0.5
225.07288	0.3
229.71829	0.2
255.23291	3.4
256.23657	3.4
257.23932	2.7
258.24200	1.3
378.03085	0.2
398.89471	0.2
480.31027	1.2
481.31314	1.1
482.31784	1.4
483.31921	4.2
557.32758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
57.69896	0.3
59.01387	9.1
61.98837	100.0
69.58659	1.4
69.59056	0.5
71.01393	3.3
73.02952	0.8
76.07166	0.3
80.96545	0.3
81.03450	0.4
83.01435	0.5
84.95140	0.6
85.02955	1.8
87.00916	0.8
89.02464	2.7
91.91299	0.3
93.03455	1.4
94.98117	0.5
95.95271	0.3
96.96018	3.1
101.02458	2.6
108.02233	0.4
109.02991	0.4
113.02472	1.7
114.02800	0.4
119.03537	0.8
125.02492	0.7
128.03564	1.0
135.04565	0.7
139.04028	0.3
146.16864	0.3
151.00394	1.1
153.01924	0.3
161.02483	0.7
161.04610	0.6
162.86037	0.4
165.05968	0.3
173.04601	1.9
173.05919	0.3
176.03996	0.3
177.01994	0.9
179.03568	0.7
179.05664	0.5
191.03807	0.5
191.05609	5.7
192.06068	0.6
215.07234	0.4
241.05122	0.6
245.70549	0.3
255.06752	0.3
256.07413	0.7
269.04556	1.8
271.09894	0.9
283.02429	0.3
284.03354	0.6
285.04251	0.4
297.04068	3.9
297.06744	0.4
298.04907	0.8
299.05496	0.4
303.19720	0.5
304.20129	0.5
305.21341	0.7
306.21710	1.3
311.05756	1.8
336.14346	0.4
339.05209	0.6
354.15649	0.9
367.08011	0.4
367.12048	0.8
368.09164	0.6
369.10013	0.8
379.08322	0.3
396.11981	0.9
397.09515	0.8
409.44446	0.3
409.58743	0.4
420.15588	0.4
420.22745	0.3
461.10492	0.4
464.14896	0.4
467.26523	0.4
468.26852	2.0
498.27924	4.4
558.17499	0.6
559.14661	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	558.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51760	1.0
59.01393	1.1
69.68899	3.3
69.69328	3.0
78.95911	43.2
80.54784	0.9
96.96964	3.4
98.20022	2.2
98.20670	1.8
118.38004	1.0
122.00179	1.8
129.88791	1.1
140.01207	7.4
146.47704	0.9
152.99576	12.9
153.99948	1.8
171.00734	1.0
191.05669	1.3
196.03816	13.7
214.04852	1.4
221.62685	1.0
241.01208	4.9
241.21802	7.4
242.01517	1.7
242.22096	10.3
277.93744	1.1
279.23309	100.0
280.23685	5.0
311.04712	1.2
315.04865	1.1
322.18463	1.2
476.27832	61.1
477.28519	5.0
558.27679	24.8
559.28143	2.1
559.76678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.0
78.95904	8.6
96.92934	0.6
96.95982	0.7
122.00221	0.6
124.12791	0.6
140.01219	2.5
152.99623	0.8
158.33914	0.7
196.03796	2.9
210.45337	0.7
214.04875	2.8
279.23297	100.0
280.23611	7.2
384.44965	0.7
388.54291	0.7
476.27826	29.9
477.27975	2.0
558.19904	1.0
558.27124	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	559.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.1
62.69344	0.9
63.02390	1.0
65.00337	6.1
65.20520	0.9
69.46436	5.3
69.46835	1.9
71.01379	2.5
73.02962	0.9
73.77142	0.8
76.62271	0.8
80.96548	1.2
83.01401	3.6
85.93205	0.8
88.00408	0.9
89.02478	1.0
93.03441	1.7
96.96022	12.0
107.01405	9.4
109.02955	1.0
117.33350	0.9
120.99668	24.3
125.02480	2.1
127.87257	1.0
145.02986	1.1
149.02484	0.9
151.00388	34.4
151.01601	1.8
165.00179	10.9
165.01591	1.4
172.03322	1.0
173.04541	1.3
175.00366	1.6
179.07037	0.9
191.05656	3.0
193.01450	1.1
211.04308	1.3
213.12488	2.0
255.03011	3.9
259.02847	1.3
273.02292	5.2
283.02576	3.2
284.03439	1.4
316.00479	3.7
317.01270	35.6
317.05042	1.8
318.01453	2.4
479.06546	100.0
480.06924	7.6
487.75461	1.1
559.02124	16.4
559.09662	7.7
559.20935	2.0
560.02594	1.7
560.10760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53794	0.2
64.41819	0.2
67.36654	0.2
69.64094	0.7
69.64505	0.3
71.01384	0.2
78.95911	0.2
79.95748	3.0
96.96023	100.0
97.95966	0.2
100.15661	0.2
106.02268	0.2
132.65276	0.2
133.02943	0.2
150.19543	0.2
159.34000	0.2
175.03970	0.2
191.05650	0.3
203.99632	0.2
299.05627	1.9
304.38068	0.2
425.94574	0.2
461.11026	0.9
498.64905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10869	0.8
57.03463	1.4
61.68141	0.8
69.70950	4.9
70.98618	0.8
71.05016	2.4
83.05033	1.2
87.00890	16.2
95.05029	5.0
96.96027	2.2
98.19912	1.6
99.04530	18.6
101.04308	3.4
102.98586	1.9
111.04526	7.3
117.03802	10.8
125.02480	1.0
127.04028	38.7
128.03581	1.7
139.03056	1.2
139.04027	11.5
139.96480	0.8
145.03310	21.0
155.08990	0.9
171.01224	1.3
173.02798	14.3
189.02310	2.1
195.77435	0.9
198.07692	1.8
213.12433	1.6
217.01761	100.0
217.12030	1.0
218.02087	3.2
218.10350	1.4
308.78369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.4
61.98840	5.3
69.19239	6.7
69.19666	2.3
71.01395	0.9
83.05022	2.2
92.55824	0.8
93.03432	1.0
96.96005	0.9
98.20726	1.2
99.00883	2.4
106.14438	0.9
125.09717	3.2
131.07086	0.9
137.02405	1.1
176.37000	0.9
187.09724	3.6
191.05614	4.5
194.60359	1.0
221.06148	1.5
225.11244	1.7
234.06853	1.5
237.09084	1.2
249.05559	1.6
249.09209	2.2
250.06268	1.0
250.09976	6.8
251.10678	3.0
262.06296	1.5
265.08670	2.6
268.73956	0.9
277.05026	6.7
278.05792	4.9
279.06680	5.9
279.09338	1.1
280.07532	1.6
292.07355	1.4
293.08163	1.0
306.10889	1.0
307.05716	1.0
308.06882	2.2
309.07721	6.3
331.30618	0.9
431.22769	1.3
440.14224	1.1
455.16510	6.7
456.16898	1.0
457.18155	1.3
458.67221	1.2
479.16660	2.2
483.16104	1.3
488.15738	1.1
497.17310	4.6
499.28894	3.4
511.15656	1.4
515.18591	5.3
516.19122	1.4
523.16083	1.3
529.16638	9.3
530.16815	2.1
541.16559	2.6
559.17584	100.0
559.27362	3.1
560.17999	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21246	0.6
56.50279	0.5
57.03453	0.6
59.01379	3.2
63.96239	0.7
64.71956	0.4
65.00327	0.6
69.03478	0.6
69.42579	2.6
69.42987	1.2
70.11236	0.5
71.01391	7.5
73.02952	1.7
78.98602	5.8
79.95742	9.4
80.96525	62.2
81.03461	1.1
83.01385	0.8
83.05052	0.5
85.02955	2.9
87.00907	2.8
93.03473	1.3
94.98098	15.0
96.96031	3.2
97.02957	1.4
99.00894	0.7
99.04576	0.5
101.02462	2.3
105.99213	0.5
106.98105	3.4
107.01382	0.6
113.02433	0.6
120.99678	0.5
122.97603	2.1
125.02465	4.2
127.04047	0.9
134.03766	0.9
134.97597	4.0
136.99141	1.4
143.03455	0.6
148.99144	5.7
151.00386	1.6
152.98640	5.2
160.01643	0.7
160.05408	0.5
161.02440	0.9
164.98657	10.9
165.01913	0.9
167.00269	0.5
167.03401	0.9
172.05353	0.5
173.04576	1.2
175.03996	1.1
175.67688	0.5
177.43436	0.5
184.24544	0.5
191.05664	4.2
206.99678	1.9
209.11876	2.2
213.12350	0.6
214.34853	0.5
223.07732	0.5
225.00752	15.9
226.01117	0.6
227.49091	0.5
233.04683	0.7
292.23434	0.5
299.04410	2.8
367.12036	0.5
370.33957	0.5
385.12531	0.6
392.08740	0.5
395.11389	1.5
396.11728	2.3
397.12091	5.9
479.06592	0.9
527.18408	2.9
532.19873	0.5
541.13538	0.8
559.20782	100.0
560.21057	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	559.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21463	0.3
57.03451	1.2
59.01385	6.5
60.99314	2.0
61.98822	1.5
67.01570	0.6
67.01895	6.8
69.03465	2.2
71.01385	4.8
71.05022	0.4
71.54771	0.5
73.02954	1.4
81.03451	1.9
82.95438	0.9
83.01377	0.8
83.05046	1.7
85.02958	13.5
87.00343	0.5
87.00882	10.4
89.02443	1.0
93.03468	46.4
94.03808	1.1
95.05023	0.4
96.96050	1.9
97.02943	0.4
99.00937	0.8
99.04525	1.3
101.02448	1.6
109.02966	1.8
109.52926	0.3
111.00981	0.6
111.04531	6.6
113.02459	1.5
125.02440	1.0
127.04022	3.0
128.03514	0.5
129.01955	1.1
133.02974	3.1
134.03703	0.5
135.04503	1.3
137.02483	1.2
143.03500	0.6
151.00403	1.5
155.03511	2.9
161.02431	0.5
161.04535	0.5
171.02945	1.2
173.04562	31.9
174.04930	0.9
176.03931	0.6
177.01915	3.1
178.02647	0.5
185.06163	0.4
187.03999	0.4
191.05629	100.0
192.04282	1.0
192.05980	2.4
193.05054	1.4
196.05260	0.5
196.40846	0.4
207.06558	1.0
215.07149	1.1
217.08669	0.5
222.06943	0.4
225.05577	0.5
226.06233	0.4
227.10889	0.5
237.09172	0.5
239.07062	0.6
239.10730	0.8
241.08603	0.6
243.06657	0.5
251.07190	0.8
251.10864	1.7
253.05017	0.5
253.12256	0.4
255.10168	0.7
255.14000	0.9
256.07358	1.0
257.08163	1.1
265.08832	0.7
265.12213	0.5
268.10913	0.6
269.04694	0.6
269.08185	1.4
270.05331	0.6
271.05768	0.6
279.10376	1.4
280.11050	1.9
281.11673	0.4
281.15637	0.5
283.09830	4.8
283.13049	0.5
284.03214	0.6
285.04144	0.9
285.15140	0.4
295.09790	0.5
297.04193	0.5
298.04810	0.7
299.12878	1.0
300.06119	0.5
309.14859	3.0
315.15891	0.5
323.12970	0.8
324.10080	8.0
325.03665	0.6
325.10596	0.7
341.13959	0.6
349.10657	0.5
353.13965	26.5
354.14304	1.7
367.12030	2.6
369.09869	0.8
385.13138	1.1
385.16653	20.0
386.16998	1.2
397.09549	0.9
430.12698	2.3
447.09296	0.5
462.11514	0.6
499.29468	0.9
515.19427	0.7
527.19293	19.9
528.19232	1.8
531.15314	1.3
559.22168	9.6
559.31311	1.2
560.22455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59324	0.4
54.29401	0.4
55.01874	0.5
57.03442	1.8
59.01386	13.2
60.99319	2.2
61.98827	1.9
67.01889	5.9
69.03468	1.9
69.45519	0.4
71.01387	6.7
71.54565	0.7
73.02946	1.7
79.95747	1.2
81.03481	2.1
83.01392	1.3
83.05037	1.6
84.95118	0.5
85.02459	0.9
85.02959	14.4
87.00883	11.5
89.02470	3.3
89.69862	0.6
93.03470	42.7
94.03806	1.1
96.96021	24.3
99.00902	1.5
99.04505	1.2
101.02461	3.5
108.02176	0.5
109.02925	2.3
111.04547	7.8
113.02457	2.4
115.03992	0.6
116.92872	0.5
119.03503	0.9
125.02467	1.2
127.04023	3.1
129.01982	1.1
133.02966	1.1
135.04532	1.5
137.02469	2.0
137.82668	0.5
138.87956	0.5
143.03506	1.4
149.02420	0.6
153.02000	0.9
155.03548	1.6
159.03055	0.5
161.02432	1.5
161.04553	2.0
173.04564	30.0
174.03223	0.4
174.04887	0.7
175.03874	0.5
179.03519	0.8
179.05635	0.8
184.70900	0.5
191.05629	100.0
192.05997	2.8
199.03877	0.5
211.03978	0.5
213.05659	0.5
213.09177	0.6
215.07072	1.0
222.06738	0.7
223.06055	0.9
225.05600	0.8
227.03548	0.7
227.10814	1.0
237.05550	0.5
239.10744	1.4
250.10068	0.7
251.07097	0.8
251.10832	2.1
252.11458	0.6
255.10339	0.9
255.13895	1.1
256.07394	1.1
257.08115	1.0
268.11050	0.6
269.08310	1.1
279.10294	2.0
280.11060	1.6
281.15497	0.5
283.09808	5.2
283.13004	0.8
284.10410	0.6
297.11588	0.7
297.79437	0.5
299.01999	3.1
299.12936	1.1
309.14993	3.0
323.09583	0.5
324.10007	6.7
353.13943	24.4
354.14221	1.5
367.11841	1.5
385.16599	21.1
386.16895	1.9
397.09418	0.9
415.19742	0.7
430.12726	2.5
462.07907	3.0
467.15515	0.8
499.29214	3.8
527.19269	21.6
528.19446	1.9
541.19446	0.6
559.15198	0.8
559.21918	11.5
560.21869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21339	1.0
55.01866	1.9
57.03453	7.4
58.00600	2.1
59.01386	92.1
60.99296	1.4
61.98839	8.3
65.00328	2.0
67.01900	2.6
69.03458	1.7
70.10249	3.2
70.10644	2.5
71.01389	56.2
72.99320	3.3
73.02966	13.1
73.59600	1.3
81.03456	1.5
83.01394	7.0
85.02963	25.9
87.00889	8.7
89.02457	31.5
93.03465	24.9
94.90272	1.1
95.01398	3.6
96.96030	9.6
97.02976	1.9
98.20611	1.6
99.00893	3.9
99.04519	4.1
101.01799	2.3
101.02455	40.0
102.05637	1.9
102.31464	1.2
104.01817	1.2
108.02154	1.5
109.02938	1.5
109.72273	1.0
111.04528	4.3
113.02465	23.0
113.03249	1.2
116.92835	1.4
119.03524	12.6
121.02944	1.1
123.04466	1.4
123.81628	1.0
124.01664	1.4
125.02480	5.4
127.03999	2.7
128.03534	4.7
131.03540	1.8
133.02972	3.1
134.03770	1.2
135.04521	4.9
137.02473	7.4
143.03513	4.0
145.02927	1.7
151.00403	11.6
152.01010	1.3
155.03537	2.4
159.03018	4.0
161.02417	5.1
161.04564	20.9
162.04851	1.0
167.03532	3.1
171.10352	1.4
173.04567	32.0
173.06030	2.0
176.04034	1.1
177.01892	1.7
179.03444	2.7
179.05615	8.7
185.40245	1.4
186.06795	1.6
187.07625	1.8
190.05153	1.1
191.05637	77.2
192.05893	1.9
193.05046	1.5
196.05380	1.1
199.07768	1.2
201.09256	5.6
207.58548	1.3
215.07191	1.4
217.08740	3.8
225.05620	1.9
227.07001	2.0
231.10472	1.3
233.08269	1.4
241.08675	1.3
243.06476	1.3
270.05191	1.9
271.05957	2.2
283.02771	1.5
284.03366	1.5
285.03854	2.0
299.05051	1.8
311.05460	1.6
337.23981	7.4
341.14078	1.8
351.08560	1.5
353.10159	8.6
353.14035	2.8
367.11813	4.8
385.12781	3.4
385.16855	3.4
397.09180	2.7
456.20102	2.2
456.70450	1.3
462.11221	1.9
499.29190	100.0
500.29425	8.8
515.15784	8.9
517.30603	2.7
527.19299	2.1
541.18530	1.4
559.13794	9.5
559.30609	3.2
560.25348	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	561.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28788	0.6
53.09153	0.7
54.04685	0.7
58.22300	0.7
59.01387	4.7
61.98820	1.2
70.65738	1.2
70.66061	1.0
70.76990	0.7
71.01383	5.8
73.02949	1.6
78.95921	0.9
80.96472	1.0
85.02943	2.3
89.02444	2.9
91.04008	0.7
93.03466	1.9
95.01368	0.8
96.96018	5.7
96.97005	1.0
98.95609	1.2
101.02446	4.6
111.00919	0.9
113.02433	2.7
117.03477	15.4
119.05034	44.0
120.05400	1.1
121.02988	0.8
123.29414	0.6
125.02426	0.7
135.04578	0.7
145.02965	78.5
146.03305	1.9
161.02400	0.7
161.04501	0.8
163.04024	54.5
164.04346	0.9
173.04559	2.8
179.03473	1.0
189.64207	0.7
191.05621	2.8
232.73351	0.7
237.07715	1.5
399.12952	100.0
400.13321	6.8
438.56741	0.7
561.18835	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	561.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81097	1.0
59.01386	6.2
70.49563	2.3
70.49919	2.6
71.01390	4.2
73.02980	1.3
79.90667	1.0
80.03284	1.1
85.02922	1.9
89.02480	2.4
94.81066	1.2
96.96026	14.9
100.19876	1.1
101.02454	3.5
113.02496	2.0
117.03485	11.9
119.05042	58.9
120.05318	1.6
135.04478	1.2
142.32405	1.1
145.02969	58.1
161.04559	1.3
163.04031	82.2
164.04401	1.7
173.04651	1.7
191.05583	3.6
225.07689	3.5
268.48462	1.1
399.12985	100.0
400.13077	5.7
407.38428	1.3
561.15515	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	561.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
71.01392	0.9
71.54507	0.3
71.54864	0.3
73.02971	0.5
78.95910	1.6
79.95745	3.1
80.96523	1.7
81.95323	0.4
82.96103	1.2
85.02950	3.1
87.00892	0.9
88.98810	1.6
93.03476	2.5
94.98108	0.3
96.96020	100.0
96.97009	2.6
97.95971	0.3
99.04494	0.3
101.02467	0.3
102.82674	0.3
109.02945	0.3
110.01984	0.3
111.04539	0.6
125.02457	0.6
127.04032	0.7
135.04538	0.3
137.02428	0.5
151.00345	0.4
153.01921	0.2
164.98593	0.3
167.51253	0.3
173.04568	2.4
191.05627	25.0
191.98888	0.5
192.06035	0.5
206.04430	0.3
209.11827	0.3
225.05640	0.4
227.00233	0.3
227.07199	2.0
259.75137	0.3
261.06079	0.6
289.05472	1.4
305.04977	0.3
307.06323	0.4
325.06744	0.3
327.08685	0.4
355.08142	1.3
369.13358	1.8
387.14496	0.3
399.11249	0.5
400.11908	0.3
481.11737	2.1
517.13782	0.3
560.20544	0.3
561.07648	4.7
561.21466	4.3
562.07733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46392	0.7
59.01373	1.7
61.98837	1.2
69.42287	5.4
71.01395	0.9
85.02950	2.8
87.00855	1.4
93.03468	4.6
94.43200	0.9
101.41775	0.9
111.04524	1.1
123.54250	0.9
127.04028	1.0
135.04562	2.3
137.02425	1.2
155.03557	0.8
165.28207	0.8
171.10298	12.1
173.04579	3.0
179.03529	1.2
191.05635	25.8
220.08957	4.1
224.08226	1.0
234.06836	2.6
247.07677	1.4
248.08415	8.1
249.09227	30.1
250.09764	1.8
268.11011	2.0
285.27652	0.9
295.09967	1.4
439.13535	3.2
440.13782	1.0
445.17761	1.3
453.15036	11.5
454.15375	1.2
455.16586	27.7
456.16855	3.9
465.15219	1.2
473.17639	2.4
481.18021	6.5
484.16907	1.9
497.16626	1.0
499.19299	10.0
500.19788	1.3
517.20264	100.0
518.20648	11.8
529.28754	0.8
529.62207	0.9
543.18640	5.3
561.19244	92.7
562.19629	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60358	0.6
58.83355	0.5
59.01413	0.7
61.98858	1.7
70.09451	1.9
78.95914	7.3
85.03010	0.6
85.06606	2.7
91.50352	0.5
93.03471	0.6
96.96079	0.6
140.01208	2.5
152.99599	0.9
173.04517	0.7
191.05580	3.2
196.03905	1.5
196.64639	0.5
199.13400	1.3
206.70241	0.5
214.04857	4.0
232.99591	0.5
235.11353	0.6
261.18674	1.0
265.12411	0.8
279.10205	1.3
279.19666	17.6
280.10660	1.3
280.20068	0.9
283.09756	0.5
332.19980	0.6
347.25854	5.6
363.25555	0.7
365.26962	100.0
366.27359	7.2
562.22589	1.9
562.31409	19.7
563.24194	1.1
563.32019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01389	3.0
59.77449	0.4
60.99307	0.7
65.03973	0.4
65.73331	0.4
67.01899	4.9
69.03471	0.7
69.50775	2.3
71.01387	3.7
72.99286	0.4
78.87767	0.4
81.03468	1.1
83.05034	0.9
85.02953	1.4
85.59240	0.4
87.00879	2.2
89.02443	0.6
93.03471	32.8
94.03821	0.4
96.96013	4.7
99.00877	0.5
101.02470	0.8
109.02972	1.2
111.00898	0.9
111.04537	5.1
112.93720	0.4
113.02521	0.4
115.00384	2.0
121.02999	1.2
122.03728	0.6
127.04063	0.6
129.01907	0.3
134.03770	5.1
135.04478	0.4
137.02460	4.6
149.02460	2.0
149.06122	1.6
150.03256	4.4
151.00467	0.4
152.06163	0.4
155.03505	4.1
161.02478	0.5
164.04781	0.6
165.05585	4.7
173.04562	100.0
174.04915	2.5
175.02475	3.9
178.02736	2.0
179.03485	0.5
191.05629	7.8
193.05052	6.5
194.05382	0.5
195.06703	3.1
227.07144	0.4
239.07060	0.5
267.06509	0.6
282.05356	0.4
282.08963	1.1
297.07678	0.7
312.10178	0.6
327.12366	0.7
341.10345	3.3
371.15085	0.8
386.10349	0.6
389.12558	1.0
401.12341	3.7
448.69202	0.4
501.53317	0.4
563.17633	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	563.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47928	1.9
57.87400	2.1
60.20820	2.3
69.75251	2.4
71.53965	3.7
78.95489	3.8
78.95914	47.8
93.03491	4.4
96.96971	5.0
102.61368	2.7
152.99605	66.3
171.00697	20.5
173.04520	3.1
191.05603	7.6
227.03207	4.2
245.04337	93.2
253.21753	49.9
254.22046	4.1
255.23065	2.8
264.07782	3.6
267.01266	7.5
279.10263	8.3
300.03787	2.5
327.03531	3.6
481.25775	100.0
482.25934	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	563.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.9
61.98849	9.6
67.01903	9.1
70.42371	4.2
71.01399	7.3
72.99323	4.9
80.31523	4.0
83.05086	4.0
84.00759	4.4
85.02975	9.5
87.00891	10.4
93.03462	59.8
96.96027	11.7
98.20681	10.0
111.04507	9.4
119.05001	4.8
135.04550	6.5
159.04597	5.6
163.03929	4.7
167.94865	4.2
171.10214	4.8
173.04599	38.7
187.07788	5.9
191.05629	100.0
192.05881	6.3
193.18311	4.7
209.11900	4.7
215.07108	10.4
221.20413	4.6
263.10803	10.3
265.08679	7.9
281.11801	38.9
291.19687	16.4
371.14413	4.8
389.17792	5.1
440.91205	4.7
468.76578	4.8
509.18219	4.9
545.20526	15.4
563.20111	11.8
563.27112	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	565.0484
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
51.60060	0.3
59.01367	0.3
62.96408	0.5
63.34621	0.3
65.13292	0.3
70.80669	0.4
70.80994	0.7
78.95913	100.0
82.20395	0.3
96.35974	0.3
96.96062	3.1
96.96970	35.1
99.42982	0.3
111.02012	8.2
120.96989	1.7
136.94017	0.7
138.98036	3.0
150.98030	2.8
158.92551	15.4
174.98022	1.0
176.93593	1.3
178.94991	0.5
192.99080	1.3
195.68250	0.3
207.71832	0.4
211.00145	5.5
217.46696	0.4
223.00175	0.7
241.01186	8.4
259.02319	0.4
272.95718	4.8
280.02286	1.7
303.73245	0.3
305.01688	0.9
320.97867	2.6
323.02875	63.3
324.03122	2.9
362.73956	0.4
378.81256	1.7
379.81223	0.6
380.81061	1.7
384.98492	4.8
402.99387	1.7
420.82339	2.0
421.82358	0.8
422.82104	3.7
488.10199	0.4
564.83234	1.5
565.04767	20.5
566.05200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44646	0.4
59.01376	2.0
60.99303	0.5
65.68014	0.4
65.75152	0.4
66.29479	0.5
69.22893	3.6
71.01384	1.8
73.02945	0.7
73.38776	0.4
82.95429	0.8
83.21925	0.4
85.02950	1.0
89.02448	0.6
93.03461	1.2
95.01324	0.4
95.95174	0.5
96.96018	12.3
98.19923	0.8
99.92596	1.4
101.02444	0.9
108.02199	1.5
109.02978	2.4
116.92873	8.2
118.98074	0.6
119.05049	0.5
121.02955	0.7
123.00889	1.5
123.04546	1.3
124.01672	1.2
125.02425	1.0
133.02910	0.4
134.03763	2.4
135.04550	0.8
136.01662	0.7
137.02448	2.8
138.03229	1.2
139.04068	0.7
145.02943	0.8
146.03735	0.8
147.04518	6.4
148.05347	2.6
149.02444	1.2
150.03242	3.1
150.55835	0.4
151.00377	0.9
151.04022	6.2
152.04774	1.3
158.03716	1.7
159.04535	6.0
160.05315	14.9
161.02472	0.7
161.06091	5.0
162.03258	2.9
162.06860	2.4
163.04008	4.0
164.04814	4.3
165.96008	0.4
166.06389	1.5
167.03426	0.6
168.04224	0.5
173.02473	0.8
173.04604	0.9
173.06097	1.7
174.01799	0.8
175.03970	1.6
175.07657	13.1
176.04802	3.8
177.05573	6.9
178.02614	0.4
178.06366	3.8
179.03441	0.5
184.05801	0.4
191.05598	2.8
191.07169	3.7
192.07875	0.9
193.08687	1.3
198.05264	0.7
205.08740	0.6
207.06569	0.8
228.08099	0.5
256.07504	0.8
267.06500	0.6
271.09909	1.2
283.06097	1.9
284.06589	0.4
298.08472	2.5
299.09241	7.0
313.10922	3.9
314.11673	7.0
317.01190	0.8
328.13135	0.6
329.10364	0.7
329.13898	6.1
331.02844	0.9
344.12677	0.7
359.15021	100.0
360.15359	7.2
403.14124	7.3
447.09137	0.5
479.06537	0.9
521.19897	0.7
558.98950	0.5
565.19263	5.4
566.20050	0.8
572.19177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76268	0.7
70.54148	2.0
70.54485	0.9
78.95903	10.7
92.18505	0.8
98.19924	0.9
152.98415	1.0
152.99605	17.5
171.00578	1.0
191.05626	1.5
227.03278	3.4
255.23311	100.0
256.23630	3.8
320.33792	0.8
483.27338	54.5
484.27463	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	565.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83056	0.5
58.09243	0.5
58.88708	0.5
59.01386	1.8
65.74851	0.6
67.01888	0.7
69.03449	0.8
71.01386	0.9
82.02989	0.8
84.04555	2.1
85.02972	0.9
87.00883	0.8
87.96211	0.5
93.03465	4.0
94.03809	1.3
101.04300	0.5
102.05621	45.2
106.04268	0.6
109.28085	0.5
128.03554	100.0
129.03937	0.8
146.04608	29.8
173.04587	1.8
191.05638	3.5
192.05969	1.2
193.06107	1.3
216.67166	0.6
230.00723	0.6
245.19142	2.1
263.20218	3.9
271.17111	3.2
289.18231	1.5
307.19174	4.2
330.24472	0.5
351.21527	0.9
392.24460	0.7
418.22433	6.8
436.23438	12.8
437.24298	0.7
455.80713	0.5
540.44910	0.5
547.19556	0.8
547.27283	3.2
565.27740	67.8
566.28040	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	565.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
59.01382	1.6
60.99311	0.3
61.98835	0.9
67.01901	0.8
69.03464	0.7
71.01379	1.2
74.02486	0.5
78.71723	0.3
81.03471	0.4
82.03001	0.7
83.05001	0.4
83.09817	0.3
84.04556	2.4
85.02945	1.6
87.00877	1.0
93.03459	4.3
94.03802	0.9
95.05052	0.4
96.96011	0.6
100.04053	0.4
100.07680	0.4
101.02470	0.4
102.05619	43.1
106.04238	0.9
111.04544	0.8
113.02423	0.3
126.09244	0.4
128.03554	100.0
129.03908	1.1
134.03766	0.6
135.04500	0.5
137.02504	0.6
138.03217	0.4
146.04610	26.4
165.12802	0.3
165.77002	0.3
173.04578	3.0
174.04877	1.0
175.05081	0.6
191.05634	7.0
192.05951	2.5
193.06136	1.9
193.08456	0.4
215.07195	0.6
216.07590	0.4
222.18448	0.3
233.08397	0.4
233.11626	1.7
233.91267	0.3
245.19049	2.2
246.84631	0.3
251.11035	0.4
252.97321	0.4
254.95909	0.4
263.20163	3.8
271.17050	2.6
283.02505	0.4
289.18167	1.0
307.19220	3.5
308.77835	0.3
319.44687	0.4
329.23358	1.0
330.24170	0.7
351.21506	1.4
356.22324	0.4
371.85779	0.4
374.23218	0.7
400.21457	0.5
418.22403	7.4
420.80695	0.3
436.23380	11.9
437.23798	1.0
451.94785	0.4
521.29272	0.4
547.20825	1.9
547.26904	1.9
565.27740	64.9
566.28119	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	565.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78178	15.7
59.01381	28.1
61.98848	27.6
64.46899	16.7
69.34729	41.8
69.35142	100.0
70.60809	20.0
77.84180	14.9
78.95911	27.3
81.00839	15.5
88.68644	19.1
91.82690	14.5
96.96038	32.5
98.20773	18.5
101.52911	17.9
273.33456	20.8
463.32846	19.0
540.19891	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	565.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.5
59.20112	23.3
61.98832	31.4
67.22636	24.6
70.81802	62.8
83.65765	19.1
92.92721	24.5
96.96039	37.6
137.09749	28.7
144.27647	20.1
191.05586	40.2
213.00879	24.9
227.37306	21.9
254.85602	50.2
260.01639	22.9
263.70496	26.4
269.07205	39.0
295.08658	23.7
475.77451	23.7
478.33298	21.8
482.29565	21.4
565.25946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92189	11.5
54.74245	12.7
59.01392	33.4
61.98835	43.4
64.99415	11.0
68.84286	9.7
69.28225	9.9
69.28592	100.0
71.01405	16.3
77.42252	10.6
86.89649	10.6
93.03471	34.9
119.05000	12.0
173.04568	32.3
178.04880	11.7
191.05675	30.7
253.09196	12.9
315.05136	36.2
521.20026	13.1
547.21637	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	567.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.3
70.53895	4.3
71.01376	7.6
72.99313	2.7
75.00879	3.5
75.21143	2.1
75.64767	1.9
78.91888	3.7
83.01391	6.4
84.10406	2.2
85.02959	3.6
85.08559	2.2
87.00878	14.6
88.98815	2.1
96.96036	11.7
101.02449	2.5
109.02961	13.0
110.52219	2.5
111.00890	9.1
111.48640	2.5
113.02369	2.5
113.99562	4.2
115.00388	35.8
121.02963	3.0
123.04510	2.4
135.04527	7.8
137.02420	22.9
139.00414	11.8
147.04568	4.0
149.02434	4.5
156.00694	14.3
157.01436	28.7
159.04492	2.5
161.02420	6.9
161.06003	3.5
162.83925	4.1
163.04041	5.8
174.01724	18.4
174.03072	4.0
175.02515	36.6
175.03973	4.9
177.01923	3.3
187.03917	3.4
191.03452	6.3
191.05505	5.5
193.05069	35.6
201.01906	4.6
203.03395	3.1
205.01555	3.5
205.05005	3.9
206.02211	3.7
207.06607	10.4
215.03583	3.8
219.02846	3.0
220.03731	4.6
223.06064	7.4
233.04541	21.7
234.05269	12.7
235.06107	4.3
247.06081	5.6
251.05557	5.6
264.32355	2.5
275.05499	2.9
277.52893	2.6
279.05258	3.9
279.08707	4.0
289.07123	8.2
307.08237	100.0
308.08591	3.8
309.06046	6.4
325.11020	2.5
343.11832	2.6
355.10645	3.2
403.12241	2.4
413.10889	3.1
451.12375	5.8
469.13522	49.4
470.13605	3.8
471.11423	29.9
495.11298	8.9
513.12598	28.5
527.26178	2.6
531.13501	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	568.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99712	0.5
57.42450	0.6
59.01386	18.6
61.98850	0.5
62.31693	0.6
62.88769	0.5
71.01222	1.3
78.95911	19.5
134.03693	0.6
137.77194	0.6
152.99554	3.6
160.56328	0.6
168.04292	3.2
224.06917	9.1
242.07959	2.1
255.23355	2.7
269.24866	100.0
270.25259	6.4
395.04538	0.6
483.27072	1.0
494.32556	62.2
495.32889	4.4
538.59467	0.7
579.64899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.073
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
59.01373	9.6
65.00332	3.4
71.01405	6.3
71.01786	5.9
73.70922	2.2
76.39762	2.4
79.95717	2.7
82.52208	2.5
83.01387	4.5
85.02988	3.8
87.00874	3.7
93.03458	19.6
94.04676	2.3
96.95474	1.8
96.96022	44.7
101.02443	3.0
107.01386	4.9
109.02960	4.8
111.04495	3.8
115.92030	2.4
125.02422	2.9
128.03520	3.6
133.02997	21.1
135.04526	7.3
137.02332	2.9
151.00426	15.2
161.02473	10.4
167.03467	4.1
173.04500	23.3
175.04001	4.3
177.01904	7.2
179.03374	4.1
191.05650	19.7
193.05112	4.3
199.04004	2.9
255.02989	32.5
283.02435	27.5
284.03085	3.6
285.04065	100.0
286.04440	5.8
391.04572	8.7
417.06125	16.1
445.61691	2.6
449.14432	7.1
569.07684	43.7
569.16418	4.9
570.08447	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	569.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61562	0.2
59.01383	1.4
71.01385	0.7
71.50021	0.2
71.53752	0.4
78.95894	0.3
79.95749	3.0
85.02979	0.2
89.02442	0.5
93.03456	0.5
94.07819	0.2
96.96021	100.0
97.95965	0.3
99.52395	0.2
101.02447	0.2
108.02150	0.2
113.02464	0.3
114.93436	0.3
137.02480	0.2
150.03171	0.2
152.01152	0.3
152.08510	0.2
153.09245	0.5
165.05479	0.2
167.03572	0.3
171.10320	0.4
173.04546	0.4
179.05667	0.2
191.05612	1.1
209.11810	0.4
227.12895	0.4
341.10806	1.0
367.17401	0.2
427.19589	0.2
569.40149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48814	4.6
59.01385	100.0
61.98824	6.5
69.30207	33.3
69.30615	10.5
71.01383	36.5
71.88341	4.4
73.02948	35.9
78.95913	6.2
83.01377	11.6
85.02937	8.9
85.82351	4.6
87.00870	6.9
89.02439	6.7
93.03471	34.9
96.96016	43.6
101.02450	30.5
113.02468	12.9
115.75082	5.1
119.03463	6.8
127.03986	5.7
133.02962	14.5
135.04457	6.4
137.02434	13.7
151.00375	6.0
161.02489	48.3
161.04550	10.4
172.09201	4.9
172.96007	4.8
173.04584	43.0
191.05611	44.0
192.05945	6.1
224.94150	4.8
377.93875	5.7
385.14191	8.9
472.15939	8.0
569.08411	10.7
569.27802	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	569.3006
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
62.81816	0.8
63.96222	1.1
69.03466	0.8
70.17263	1.9
71.01386	7.1
73.02940	1.2
78.98605	4.8
79.95745	8.9
80.96527	57.8
85.02957	2.7
87.00885	2.7
94.98106	12.5
96.96021	1.4
97.02973	0.8
98.39757	0.8
101.02467	1.6
106.98107	2.0
122.97562	2.4
125.02434	2.8
134.97578	3.9
136.99144	1.3
148.99139	4.6
152.98653	4.8
164.97346	1.2
164.98647	11.1
185.75296	0.8
206.99669	1.8
215.12935	1.1
225.00752	14.1
269.24863	2.3
275.63956	0.9
299.04391	2.7
331.44415	0.8
342.37912	1.1
358.23352	0.9
569.30029	100.0
570.30371	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	569.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.8
57.74687	0.4
58.02946	0.5
59.01383	4.9
61.98839	1.2
69.03427	0.6
71.01377	1.5
71.05032	4.4
74.02477	1.1
79.95731	0.7
84.04565	3.0
85.02956	1.3
85.06597	2.1
86.02484	0.8
87.00883	0.5
93.03455	3.0
96.96021	17.6
100.04027	1.2
100.07700	0.5
101.02420	0.6
101.84214	0.4
102.05619	34.7
103.05960	0.5
110.06121	3.7
111.04504	0.4
111.08141	0.4
112.07638	0.4
113.06091	3.1
114.05579	0.9
114.09230	0.5
119.11391	0.4
119.61385	0.5
124.01639	0.6
128.03554	52.5
128.07185	1.0
129.03868	0.9
131.07156	5.1
133.02957	0.8
134.03714	0.7
135.04536	4.5
137.02420	1.6
143.10796	3.7
146.04607	7.6
151.04016	0.7
154.08768	2.1
156.10335	1.6
161.02385	0.7
165.12796	0.5
167.14430	14.1
171.10284	0.5
172.09818	1.2
173.04547	2.8
174.11383	7.8
179.03506	1.7
185.11813	1.0
191.05655	4.7
192.13931	0.5
209.11893	0.7
210.15021	0.8
211.13402	17.2
212.13739	0.6
223.17142	0.7
229.14432	7.8
229.51077	0.6
230.14873	0.6
241.18129	2.6
241.58711	0.5
252.19684	2.8
253.19272	0.5
254.17577	1.6
265.18015	1.7
270.20859	0.7
272.18701	2.9
277.00397	0.8
281.21249	1.1
282.24481	0.5
283.19141	1.0
296.18570	2.0
299.22388	0.7
325.20212	0.7
326.23526	2.3
340.17529	0.8
352.07721	0.6
357.24008	1.4
367.12683	0.4
374.06137	1.0
411.28763	0.7
423.14911	0.5
440.30173	14.0
441.30600	1.2
450.08887	0.5
455.27625	0.7
472.02881	8.8
473.03571	0.8
520.97583	0.5
525.35358	0.9
551.33282	7.3
569.34436	100.0
570.34778	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	569.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79086	1.1
57.03435	1.3
58.77063	1.0
59.01381	13.7
61.98845	1.4
71.01389	4.0
71.05020	1.2
71.31304	1.4
74.02477	1.3
77.56686	1.1
78.95937	1.2
84.04543	2.8
85.02946	4.1
85.06597	3.8
86.02462	1.3
87.00909	1.9
93.03470	9.4
95.05009	1.9
96.96023	2.2
102.05620	32.2
111.04534	3.2
113.02473	1.6
113.06110	5.8
114.05649	1.7
128.03551	53.3
129.03868	1.1
131.07152	5.9
137.02409	4.5
146.04622	6.3
154.08824	1.5
157.22942	1.3
161.02426	2.8
167.14401	13.4
170.40402	1.2
172.09795	1.7
173.04578	7.9
174.11354	7.3
190.70964	1.1
191.05624	19.9
192.06013	2.0
209.11897	2.1
211.13387	17.6
224.16649	1.3
229.14479	9.4
241.18100	5.7
252.19714	4.9
265.18045	3.6
283.19189	1.6
285.04224	2.0
296.18546	1.6
326.23312	4.4
343.52872	1.2
395.18881	1.9
440.30048	14.6
441.30453	1.7
455.27423	2.8
465.28052	1.3
483.29932	1.4
551.19354	2.1
551.33398	7.3
561.06305	1.3
569.20447	3.6
569.34467	100.0
570.34863	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	569.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27237	0.5
57.03449	3.4
58.02948	0.4
59.01395	2.3
59.22063	0.5
59.86622	0.4
71.01364	0.6
71.05016	2.3
71.30762	0.8
74.02465	1.1
82.02972	0.5
84.04543	3.9
85.02945	0.6
85.06594	3.7
86.02479	1.3
93.03458	1.8
94.06651	0.5
96.96018	6.0
100.04021	1.4
102.05620	35.0
103.06055	0.5
110.06123	4.3
111.69608	0.4
113.06122	3.0
114.05619	1.6
128.03554	51.6
128.07182	1.0
129.03894	1.0
131.07159	7.3
135.04529	2.5
137.02452	1.3
143.10788	0.6
146.04614	8.2
154.08737	2.1
156.10306	2.0
167.14435	12.4
172.09793	1.3
173.04538	2.0
174.11369	9.4
179.03506	0.8
191.05615	2.4
194.15556	0.7
210.14987	0.9
211.13416	15.3
223.17120	0.7
229.14455	5.7
229.16531	0.8
241.18143	5.4
244.86632	0.5
247.16986	0.7
252.19731	2.9
265.18243	2.8
281.21222	1.2
282.24484	0.8
283.19165	2.3
296.18716	2.0
308.22195	1.2
311.07678	1.1
325.20270	0.7
326.23291	2.9
350.23535	1.2
374.06479	0.6
381.51321	0.5
440.30194	14.9
441.30453	1.5
455.27512	2.9
472.02988	3.1
473.03159	0.9
525.35437	1.3
531.18390	0.5
551.33484	7.1
552.33838	0.7
554.03888	0.6
569.34448	100.0
570.34857	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	571.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82371	0.2
55.00453	0.3
59.01384	2.9
66.04643	0.2
70.29548	0.8
71.01386	0.4
78.95914	0.7
79.95745	3.1
82.34327	0.3
82.83362	0.3
83.12759	0.3
88.98831	0.2
93.03426	0.5
96.96021	100.0
99.92563	0.3
110.48866	0.3
113.92636	0.3
114.93403	0.6
116.92861	2.4
117.92874	1.3
118.92690	0.9
121.27057	0.2
127.15643	0.3
130.29601	0.2
135.04510	0.3
161.02466	0.4
173.04561	0.5
173.55823	0.4
189.12959	0.5
191.05600	2.1
340.50006	0.3
450.44495	0.3
526.59515	0.3
537.81403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24945	0.2
56.72854	0.2
58.89177	0.2
59.01387	2.3
67.16824	0.2
71.01383	0.9
71.54111	0.3
73.02950	0.7
76.53750	0.2
78.95927	0.6
79.95750	3.0
85.02966	0.3
89.02448	0.7
89.35498	0.2
93.03468	0.4
96.96022	100.0
101.02451	1.0
102.27155	0.2
113.02428	0.5
114.93408	0.4
119.03584	0.2
132.04559	0.9
134.06090	0.6
139.01369	0.2
149.04614	0.4
159.83722	0.2
161.04602	0.4
163.58162	0.2
173.04575	0.3
176.03549	0.2
190.05069	0.3
191.05678	0.7
221.06729	0.3
231.91713	0.2
272.34018	0.2
279.11453	0.7
323.10519	0.4
388.12125	0.2
457.38077	0.2
459.17587	0.5
503.16739	2.3
535.19409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
69.39194	2.3
69.39529	0.5
78.95909	0.8
79.95744	3.3
88.98799	0.4
96.96021	100.0
98.20658	0.3
114.93421	1.2
118.79996	0.3
147.04518	0.5
167.03452	0.3
173.04633	0.5
175.07594	0.3
191.05687	0.8
268.07440	0.3
283.09573	0.4
295.79126	0.3
298.12149	0.3
326.81668	0.3
329.13962	0.9
330.07721	0.3
373.13208	0.3
535.18219	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	571.2892
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
56.59808	0.7
57.56410	0.6
62.71437	0.7
69.37823	3.5
69.38244	2.0
69.38661	0.6
78.95916	64.3
96.96973	13.5
96.97591	0.8
150.98000	0.7
152.99603	56.2
154.00024	0.9
171.00635	0.8
223.00127	2.4
236.78680	0.6
240.98758	1.2
241.01219	29.9
255.23315	67.6
256.23730	4.3
259.02255	0.9
315.04895	8.7
391.22668	5.5
450.41266	0.7
560.48340	0.7
571.28931	100.0
572.29272	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	571.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65585	1.5
53.90186	1.5
59.01385	40.8
61.98824	8.3
65.40842	1.4
70.26891	4.6
71.01382	3.5
77.13541	1.5
83.05029	5.0
93.03445	3.2
96.96028	2.8
112.60585	1.4
123.89223	1.5
163.11317	5.5
165.12924	2.4
171.10274	4.3
191.05612	8.0
209.11832	100.0
210.12158	2.6
227.12909	11.8
260.72961	1.4
266.52530	1.6
275.20178	2.2
351.50198	1.9
437.25342	1.9
475.27875	1.7
542.07928	1.9
570.36786	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	572.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.20285	0.4
69.20684	1.9
93.03528	0.2
171.10240	0.3
173.04567	0.3
191.05602	0.3
555.18677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.76337	0.4
61.98838	0.7
65.00330	6.6
69.41933	1.6
69.42353	2.2
79.95756	3.5
81.45068	0.5
89.00372	1.3
91.01900	1.5
91.20510	0.5
95.95237	2.3
96.96023	29.2
97.02959	5.5
98.20640	1.2
98.95599	1.9
109.01198	1.0
110.97565	0.9
112.93755	1.1
121.02978	3.2
123.00885	1.1
124.01697	0.6
126.49545	0.5
135.01839	0.5
135.78952	0.5
137.00700	3.8
137.02322	0.5
138.03261	1.5
139.04001	2.7
149.99591	2.1
151.00371	2.4
153.05522	0.7
161.80064	0.5
162.98557	0.9
163.04115	0.5
163.99402	1.6
165.00168	62.4
165.01926	27.0
166.00510	2.0
166.02400	1.2
181.04967	0.9
183.03024	1.2
191.05647	3.0
231.01118	0.9
239.03290	0.6
242.03520	0.9
242.53551	1.0
255.00964	1.0
267.08789	1.2
269.04587	1.9
271.06198	0.8
274.51257	0.5
282.01852	1.2
289.03946	1.0
297.03668	12.8
297.53821	9.6
297.99722	0.9
298.04300	4.3
298.53815	0.6
299.00235	11.3
299.05408	0.8
301.01889	0.8
316.00571	2.1
323.80078	0.5
329.01111	1.1
330.02121	1.5
331.02826	52.0
332.02982	2.8
373.04153	1.3
491.06989	0.9
493.08151	100.0
494.08536	8.3
509.07806	0.9
563.13684	0.7
573.03821	36.5
574.04236	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	573.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24831	0.3
53.45490	0.2
57.03447	0.2
58.68142	0.2
59.01377	0.8
61.98808	0.3
70.40046	0.3
70.40386	0.7
71.01383	0.6
78.95908	2.0
79.95750	3.3
88.46293	0.2
93.03412	0.3
96.96022	100.0
96.96899	3.3
101.02438	0.5
101.12567	0.2
116.92847	0.4
133.02971	0.6
134.03755	0.8
145.45973	0.2
160.01662	0.4
175.03946	0.3
191.05595	0.5
193.05019	0.3
242.51877	0.3
249.95631	0.2
252.06473	0.6
267.08749	2.1
354.45776	0.2
430.94678	0.3
440.85065	0.3
457.74701	0.3
547.57526	0.2
573.13153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85835	2.5
62.83770	2.5
71.05040	5.7
71.53652	4.3
74.87166	2.6
85.06607	6.3
85.42143	3.0
87.00890	19.0
96.08060	2.2
96.96022	11.5
102.98582	4.7
109.06612	5.3
113.06081	35.3
118.96242	2.7
125.06106	11.1
128.95734	2.9
131.05345	18.2
141.05591	40.1
153.05556	12.9
159.04869	24.6
161.21626	2.7
187.04344	18.6
231.03343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02082	7.2
54.63020	7.1
59.01384	25.2
68.88888	7.5
70.98996	9.9
70.99324	13.8
71.01370	15.5
85.02954	13.3
87.00914	9.6
89.02442	16.3
92.77672	9.4
93.03458	10.4
96.57443	7.9
96.96025	100.0
98.06150	9.0
98.46500	8.2
101.02439	13.4
104.24923	8.1
119.03506	11.9
134.03734	11.1
135.04530	14.0
139.04013	8.7
149.02429	13.2
165.01962	11.4
173.04553	12.9
174.03191	14.4
175.03957	11.6
179.03542	9.4
181.05028	12.9
187.04044	57.9
189.05562	24.0
191.05644	49.9
195.06650	14.0
217.08640	10.8
236.91434	8.2
245.08156	24.2
276.08859	8.0
299.05618	15.7
323.05585	16.9
327.12323	24.5
339.12509	10.5
343.72162	8.7
353.06598	15.4
411.10938	71.9
537.20032	10.9
573.16315	82.6
574.17480	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	573.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.1
59.01378	3.8
61.98824	2.4
69.07205	1.0
83.04989	0.9
93.03430	1.1
97.06590	14.1
110.98835	0.8
113.09743	3.3
116.61245	0.9
123.08192	6.8
125.09737	100.0
126.10057	3.2
159.10280	37.0
169.08685	3.7
187.09769	59.1
188.10091	1.1
191.05626	1.6
197.11826	1.2
209.11679	1.1
209.85420	0.9
225.11359	1.8
243.12363	5.6
261.13455	10.4
312.22433	1.0
337.64697	0.9
353.98309	0.8
403.23428	23.9
404.23593	1.4
431.22919	16.5
573.18506	2.5
573.32806	69.9
574.33057	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	573.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51682	1.0
59.01384	100.0
62.87352	1.2
69.16937	7.3
69.17363	3.5
71.01336	1.0
76.60423	1.0
95.37920	1.2
97.02959	1.3
99.00899	1.2
125.09741	2.7
127.11349	1.9
155.10797	2.2
165.09201	2.0
181.12366	4.8
183.10223	1.5
199.13417	14.9
201.11348	26.9
207.10248	4.5
217.14493	2.6
225.11327	16.0
243.12360	4.9
255.23320	71.1
256.23663	4.6
261.13470	2.2
299.15070	3.0
317.15994	4.4
335.16837	5.0
489.36285	1.0
555.39038	5.0
573.40112	74.2
574.40424	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	574.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
61.98838	100.0
69.80199	0.7
82.54175	0.2
88.27151	0.2
93.03487	0.4
96.96016	0.2
106.36559	0.2
109.74245	0.2
121.13541	0.2
133.10240	0.2
148.31859	0.2
173.04581	0.4
191.05663	0.4
375.71365	0.2
434.43134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53115	0.3
59.01390	1.8
61.98824	0.6
69.63697	0.5
69.64112	1.3
71.01385	1.4
73.02937	0.3
75.41691	0.4
78.91883	0.5
80.96515	0.8
85.02965	1.0
87.00877	1.0
89.02462	0.3
93.03468	1.2
94.98115	0.4
96.42273	0.3
96.96007	2.6
98.20621	0.7
104.23329	0.3
104.76780	0.3
109.02948	0.4
111.04472	0.3
113.02461	0.5
117.03442	0.7
119.05041	1.8
132.02171	0.7
132.16504	0.3
133.02937	0.9
134.03766	4.9
135.04539	1.1
137.02415	0.5
145.02954	1.4
146.03799	0.5
149.06078	1.1
150.03209	0.4
151.00386	0.4
160.01663	2.5
161.02394	0.6
161.06052	0.6
163.04022	1.3
164.04790	0.4
173.04558	0.9
173.36610	0.3
175.03983	2.1
178.02753	1.8
179.03479	0.6
191.05649	4.3
193.05055	4.1
197.06149	0.9
210.85651	0.3
212.18053	0.3
225.05576	3.1
226.06378	69.9
227.06700	3.1
233.30914	0.4
239.99998	0.3
240.08015	1.1
240.79617	0.3
241.08731	100.0
242.09071	4.6
251.07214	0.3
257.05591	0.3
326.82831	0.3
339.08725	0.5
351.07648	0.3
353.10297	0.8
357.91177	0.4
362.56586	0.4
366.67502	0.3
381.08185	0.6
383.07724	1.1
413.12460	9.1
413.17664	0.6
414.12933	0.5
471.15491	0.8
538.32849	0.4
539.32776	0.6
575.13873	6.5
575.29523	0.7
576.15271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03454	0.5
57.69157	0.2
58.35063	0.2
59.01381	1.3
62.87255	0.2
66.68127	0.2
69.17284	2.0
70.86540	0.2
71.01388	5.5
73.02949	1.8
83.01397	1.0
85.02963	2.6
87.00865	0.3
89.02463	0.3
93.03455	1.5
95.01381	0.3
96.96027	0.5
97.71423	0.2
98.20602	0.5
99.00892	0.8
101.02465	2.1
109.03073	0.2
113.02458	1.6
115.94432	0.2
119.05054	0.2
121.61816	0.2
123.04533	0.3
124.32699	0.2
133.02962	0.3
135.04556	0.2
143.03474	0.3
143.04955	0.4
145.02939	0.6
146.03683	0.3
158.03665	0.4
159.02982	0.4
159.04520	0.6
161.02435	0.3
161.04565	2.4
163.04013	0.3
171.03133	0.3
173.04570	0.5
189.05585	0.3
191.05629	1.2
197.06032	0.7
208.35931	0.3
223.11958	0.2
225.05551	2.2
226.06367	87.3
227.06714	4.5
237.05588	0.2
238.06378	0.9
239.06937	0.3
241.08716	100.0
242.09044	5.3
251.07100	1.7
252.07845	0.7
253.08678	0.8
254.09575	0.4
255.10210	0.3
267.10336	0.5
275.09354	0.4
279.06659	1.3
280.07501	2.0
295.09790	3.3
296.10101	0.2
333.08401	0.3
339.08932	1.1
357.09933	0.3
369.13428	2.8
427.52676	0.2
537.52100	0.2
544.25952	0.2
575.17780	0.7
588.92157	0.3
595.05487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78424	0.4
57.03454	1.1
57.67271	0.4
59.01385	8.7
59.22141	0.4
61.98835	1.1
67.01920	0.5
69.03447	0.6
71.01386	5.7
71.54452	0.8
72.99297	0.4
73.02938	2.2
74.02454	0.5
80.96488	0.8
82.02483	0.4
85.02965	2.4
87.00877	1.4
87.18443	0.4
89.02445	3.5
93.03452	2.9
96.96034	6.6
98.77142	0.5
99.04538	0.8
99.92520	0.4
101.02464	3.5
102.98585	0.6
109.02970	0.6
113.02476	2.7
116.05078	0.7
117.03469	1.2
119.03526	1.0
119.05041	3.3
125.02444	0.8
127.03972	0.5
131.03481	0.6
133.02991	0.9
134.03781	3.5
135.04532	0.8
137.02457	0.9
145.02972	1.6
147.04494	1.2
151.00377	0.6
151.04033	0.9
153.01923	0.5
160.01613	0.5
161.02472	1.0
161.04526	0.8
163.04004	1.5
168.09546	0.5
173.04570	3.0
175.03943	0.8
179.03496	1.1
179.05583	0.9
191.05643	11.4
192.05942	0.6
193.05093	1.7
197.06099	1.3
203.08368	1.0
207.96849	0.5
209.09314	0.6
225.05542	4.2
226.06371	75.7
227.06680	4.0
240.07950	1.1
241.08722	100.0
242.09082	4.2
255.03200	0.7
265.05173	0.7
279.06775	0.5
281.04553	1.8
283.04965	1.1
285.03967	0.6
309.03897	0.9
311.05716	1.2
311.08954	0.7
339.08945	0.6
351.08780	0.8
369.09396	0.6
383.07687	5.6
383.11685	0.5
384.08041	0.7
403.14032	0.7
413.12521	9.0
414.12579	0.6
462.85571	0.4
473.15500	0.6
515.28491	1.1
531.14874	0.6
575.18488	0.8
575.26892	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
59.01385	2.4
60.99323	0.2
67.01895	0.5
69.03484	0.3
69.58676	0.2
71.01411	1.2
71.54538	0.3
73.02952	0.7
81.03459	0.3
81.31783	0.2
83.05049	0.4
85.02960	8.3
85.03473	0.4
86.03318	0.2
87.00885	1.6
89.02438	0.3
93.03468	4.4
94.03811	0.2
96.96025	0.4
99.00879	0.3
99.04537	0.3
101.02460	0.3
109.02958	0.9
111.04534	1.3
113.02466	0.3
113.50414	0.2
125.02455	0.3
127.04036	2.0
137.02448	0.5
155.03502	0.4
171.03004	0.6
173.04573	2.6
191.05629	100.0
192.05988	2.3
200.83128	0.2
249.09291	0.4
258.06418	0.2
353.23450	0.3
371.24365	0.4
515.28754	0.3
531.28229	0.4
533.30225	0.3
575.22955	0.5
575.30847	2.9
576.31738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01386	52.2
61.98828	0.8
62.56604	0.4
67.01891	0.6
69.03452	0.4
69.48094	1.5
69.48512	2.1
71.01392	8.5
73.02955	2.6
81.03454	0.7
83.01377	0.9
83.05037	0.6
85.02956	11.9
87.00907	2.3
89.02489	0.6
93.03464	7.8
95.01413	0.8
99.00897	0.8
101.02465	3.7
109.02937	0.9
111.04507	2.7
113.02461	2.2
120.32870	0.4
127.03994	2.8
129.76881	0.5
134.57613	0.5
137.02470	0.7
138.47380	0.4
151.00389	0.6
155.03540	2.3
161.04610	1.9
171.02995	0.7
173.04556	19.8
191.05632	100.0
192.05942	3.1
211.13405	0.6
229.14507	1.5
259.04605	0.9
284.03259	1.2
291.19702	0.5
315.18158	4.1
327.21988	0.5
357.19101	3.0
371.24442	0.5
413.12451	3.5
471.26218	0.5
531.28021	4.2
532.28070	0.6
575.17139	2.2
575.24994	4.6
575.31348	1.8
576.23584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01387	54.7
61.98832	1.3
62.94585	1.1
69.28726	3.3
69.29145	4.9
71.01386	11.1
73.02945	4.2
82.79442	1.0
83.01392	1.9
84.27872	1.0
85.02962	14.3
87.00880	2.7
89.02464	1.3
93.03471	7.8
96.96027	4.7
97.02956	1.0
99.00851	1.6
101.02487	4.6
106.76851	0.9
109.03040	1.4
111.04503	3.2
113.02451	2.3
127.03996	2.9
127.11301	1.0
134.13712	1.1
151.00409	1.5
155.03574	1.9
155.10782	2.7
160.40225	0.9
161.04553	1.0
171.10306	3.0
173.03163	1.2
173.04594	21.4
175.22476	1.1
191.05647	100.0
192.06021	1.9
211.13406	3.9
229.14479	10.5
284.03149	1.9
291.19598	1.9
315.18088	3.7
325.06940	1.7
327.21790	2.0
357.18976	2.0
371.24283	3.4
376.90479	1.0
381.10138	1.3
391.19806	1.1
406.01669	1.0
413.12387	3.4
428.17856	1.1
471.26215	3.2
489.27109	4.5
507.23831	0.9
531.28125	24.9
532.28241	2.9
543.14240	1.3
575.17053	4.1
575.23560	3.7
575.31177	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	575.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03452	1.8
58.00603	2.1
59.01385	100.0
60.01704	0.4
69.03459	0.5
71.01389	52.6
71.53601	0.2
72.01726	0.5
72.99316	2.9
73.02956	9.2
73.03366	0.5
81.03469	0.3
83.01396	3.9
84.02180	0.4
85.02959	14.3
87.00877	3.4
89.02454	40.1
93.03478	0.5
95.01394	4.5
96.96033	1.7
97.02953	0.8
98.90724	0.3
99.00890	1.7
99.04513	0.5
101.02455	28.8
102.02788	0.5
111.32156	0.2
113.02462	34.6
114.02805	0.5
119.03515	17.6
125.02448	1.0
131.03514	2.6
133.02908	0.3
139.00429	0.3
143.02448	0.4
143.03523	5.6
149.04561	2.1
155.03482	0.4
161.04565	10.6
173.04555	0.8
174.81470	0.2
179.05629	11.6
191.05634	2.5
193.05142	0.3
208.47464	0.2
220.46315	0.2
226.06210	0.4
353.19321	0.4
371.20810	0.3
515.24951	18.9
516.25494	1.4
533.26111	13.1
534.26556	1.3
565.32452	0.3
575.27173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03455	1.4
58.00605	2.4
59.01386	100.0
60.01713	0.3
61.00700	0.3
61.98832	1.1
69.03468	1.6
69.80568	1.8
71.01389	49.7
72.01711	0.4
72.99300	2.7
73.02955	23.0
75.00886	0.8
81.03465	0.7
83.01392	6.7
84.02180	0.5
85.02958	14.3
87.00883	3.3
89.02454	38.8
90.02776	0.4
93.03468	0.9
95.01398	5.0
96.96021	2.3
97.02948	1.0
99.00874	0.9
99.04536	0.6
101.02455	34.9
113.02462	32.1
114.02779	0.7
116.99622	0.3
119.02690	0.8
119.03516	16.0
119.04950	1.0
125.02477	1.7
131.03520	4.3
134.03764	2.8
135.04472	0.6
137.02446	0.5
139.00334	0.4
143.03494	4.5
145.02917	1.0
149.04601	3.5
149.06027	2.0
155.03493	0.7
161.02473	0.5
161.04579	7.2
173.02414	0.9
173.04520	0.8
175.03947	1.6
177.67409	0.4
178.02644	1.4
179.05634	6.8
191.05653	3.7
193.05061	3.0
203.05533	0.4
221.06544	0.6
226.06183	0.4
236.68549	0.3
241.08568	0.5
251.87923	0.3
255.02832	0.7
307.09634	0.5
427.12714	0.3
469.14502	1.3
471.05551	0.3
497.97574	0.3
515.25171	2.9
529.13690	1.9
533.25909	2.2
575.13861	2.6
576.13202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.67362	0.6
57.03446	1.9
58.00594	1.5
59.01386	69.6
60.01708	0.8
61.98838	0.8
71.01394	39.4
72.99312	2.1
73.02956	9.4
75.00873	1.2
80.53699	0.7
80.96518	2.4
83.01402	4.5
85.02956	16.7
85.52057	0.7
87.00881	2.3
89.02457	23.4
93.03473	2.9
95.01376	2.0
96.96028	10.7
97.02899	1.0
99.00883	3.6
99.04480	0.7
101.02455	28.8
111.04507	0.8
113.02468	16.1
119.03517	9.8
120.28230	0.7
121.85105	0.8
125.02466	5.3
129.56691	0.7
131.03568	0.8
133.34123	0.8
134.03770	0.7
135.04536	1.5
143.03505	3.6
145.01360	0.8
149.04575	1.2
152.11731	0.8
159.03027	3.1
161.02524	1.2
161.04579	23.3
165.05505	0.8
165.41403	0.7
173.04610	1.7
179.03465	1.0
179.04243	0.7
179.05649	6.2
181.05188	0.9
187.02441	2.1
191.05630	13.0
192.06117	0.9
195.06659	0.8
199.66225	0.8
226.06360	2.1
241.08734	2.8
279.08853	0.9
293.21167	1.4
305.21198	1.2
323.22351	4.6
335.22403	0.9
353.23279	10.2
373.77676	0.9
413.12735	0.9
515.28662	100.0
516.28967	9.3
543.17786	0.8
575.20227	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	575.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03464	3.2
58.00604	2.4
58.33265	0.6
59.01385	100.0
61.98827	3.6
67.05874	0.6
68.10332	0.6
69.03467	1.1
71.01390	48.9
71.53716	1.0
72.99324	2.9
73.02953	16.1
75.00908	0.8
78.95930	1.9
83.01394	6.4
85.02957	14.2
86.03349	0.7
87.00907	2.8
89.02454	36.9
93.03487	2.1
95.01392	5.1
96.96014	4.7
97.02979	1.1
98.95619	1.1
99.00903	2.2
99.04544	1.9
101.02454	33.4
113.02458	27.8
119.03519	14.0
125.02471	2.1
128.03548	1.0
129.01950	0.8
131.03520	2.5
134.93636	0.7
137.02495	0.9
141.81966	0.6
143.03528	5.4
148.62733	0.7
149.04613	2.4
151.00308	0.7
152.99673	1.9
159.02989	0.7
161.04576	12.5
173.04584	1.5
175.04048	0.6
179.04051	1.1
179.05632	11.0
190.69896	0.7
191.05624	7.0
201.09555	0.8
201.88289	0.7
209.11855	2.3
211.07729	0.6
241.01260	0.8
259.02811	1.0
303.19803	2.2
305.21317	1.3
308.36703	0.7
308.40637	0.9
353.10638	0.7
353.23340	14.8
413.14462	0.8
463.12039	0.7
515.28918	46.1
516.29333	4.0
533.26019	5.5
575.21545	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	575.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03448	1.6
59.01380	2.5
67.01884	1.1
69.03461	11.4
71.01383	2.3
71.05018	3.6
72.98123	0.5
78.95900	0.5
80.08540	0.5
81.03439	0.6
82.77232	0.5
83.05050	1.5
89.02450	0.6
97.02966	0.9
97.06602	1.9
106.07291	0.5
111.04561	0.6
111.08186	0.5
113.18702	0.5
123.08167	2.7
125.09722	4.7
137.09729	0.9
149.09753	1.3
151.11305	7.3
153.12843	1.4
161.09729	13.7
179.10786	43.9
180.11102	1.2
181.73662	0.5
197.11842	100.0
198.12169	3.9
217.83392	0.5
223.09769	6.5
233.22890	0.7
241.10831	19.5
242.11420	0.7
259.20758	0.9
275.20102	0.7
277.21744	75.0
278.22043	4.6
297.13440	11.7
298.13986	0.6
315.14502	26.7
316.14905	1.3
407.91684	0.6
575.35925	86.7
576.36255	10.8
598.02069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61345	1.2
59.01353	1.8
63.69141	1.1
69.03460	9.1
69.04915	1.1
71.01392	1.4
71.05019	2.3
83.05048	1.4
97.06586	1.7
98.20289	8.9
109.06528	1.1
123.08179	3.2
125.09763	6.2
151.11319	8.1
153.12849	2.4
161.09734	10.9
176.60590	1.1
179.10783	42.7
180.11197	1.8
197.11845	100.0
198.12132	3.3
223.09775	7.3
241.10808	18.7
277.21732	71.3
278.22098	4.1
297.13400	11.3
315.14462	20.3
531.23853	1.6
575.35913	72.5
576.36340	7.9
599.24445	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	576.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98123	0.6
61.98838	100.0
62.94640	0.5
71.01387	1.7
71.30815	1.0
78.98615	1.7
79.95334	0.6
79.95763	2.4
80.96524	13.3
94.98120	3.1
104.72446	0.5
106.98088	0.7
111.69257	0.5
117.62853	0.7
122.97580	1.3
134.97598	0.9
148.99110	1.0
152.98648	1.4
164.98668	2.6
206.99748	0.8
225.00806	3.0
241.91583	0.7
277.21921	2.2
278.22095	1.8
279.22473	1.2
280.22864	0.7
340.21121	0.6
384.65479	0.6
402.24066	0.7
577.26947	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.9
61.98817	0.4
62.78656	0.2
69.95863	0.8
69.96278	0.5
78.95909	6.8
84.54621	0.2
85.86601	0.3
91.92719	0.2
105.75456	0.3
108.17589	0.2
152.99586	1.5
168.04346	1.6
186.73843	0.2
218.28816	0.2
224.06883	1.3
233.22624	0.5
242.08028	3.3
246.18668	0.2
259.20645	0.3
275.20279	0.4
277.21732	100.0
278.22061	6.3
345.34314	0.2
502.29437	31.0
503.29837	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	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	25.7
59.11003	0.3
59.78515	0.3
61.98838	4.2
65.15483	0.3
69.24608	1.7
69.25039	1.3
71.01387	0.5
76.65268	0.3
78.88703	0.3
78.95912	27.2
81.71980	0.3
96.96037	0.7
96.96957	0.5
122.98548	0.4
152.99605	3.9
161.81012	0.3
168.04324	4.0
194.05984	0.4
210.56819	0.3
217.72264	0.3
224.06949	11.0
233.22537	0.5
242.07983	2.8
259.20728	0.8
275.20081	0.6
277.21738	100.0
278.22113	6.0
348.79190	0.3
477.15335	0.3
502.29443	70.2
503.29813	6.1
571.27222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1568
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
53.95935	0.1
59.01378	0.6
63.02407	1.2
64.26815	0.1
65.00011	0.2
65.00306	0.7
69.10638	0.1
71.01389	0.3
73.02956	0.1
81.03450	0.1
83.01382	0.2
85.02966	0.6
86.86266	0.1
87.00883	0.2
89.02471	0.1
93.03465	1.3
96.95451	0.1
96.96004	0.5
101.02485	0.1
105.03471	0.1
107.01407	1.1
111.04539	0.2
117.03470	2.7
119.93175	0.1
120.03651	0.1
123.62188	0.1
135.04555	0.3
136.49237	0.1
149.02448	0.7
151.00362	0.6
156.17982	0.1
159.04536	1.1
161.02419	0.6
169.06610	0.4
171.04489	0.2
173.04613	0.6
173.05881	0.1
180.05757	0.2
181.06613	0.4
182.03845	0.1
183.04482	0.6
191.05637	4.5
193.75722	0.1
195.04588	0.1
196.05179	0.3
197.06036	0.5
201.05542	0.4
211.07591	0.2
213.05544	0.2
224.04694	0.2
225.05591	1.1
225.09126	0.1
227.03484	0.5
239.03612	0.2
240.04216	0.1
253.05161	0.2
268.03793	3.4
269.04572	100.0
270.04913	5.1
270.07925	0.1
281.04489	0.1
311.05649	0.4
329.13974	0.2
361.18674	0.1
385.08524	0.1
385.16528	0.4
403.19876	0.2
577.15576	3.2
577.24500	0.2
578.15869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91975	0.4
57.03448	1.4
58.11187	0.4
59.01387	2.7
59.03255	0.4
60.56588	0.4
60.99311	2.7
67.01904	7.9
67.17097	0.4
69.03455	2.1
70.70040	0.5
71.01394	2.8
73.02950	0.5
73.13807	0.4
76.19476	0.5
81.03480	1.7
83.05030	1.3
85.02959	7.4
87.00884	12.4
93.03470	48.5
94.03812	0.9
96.96037	0.7
99.00922	0.8
99.04534	0.8
100.96208	0.4
105.80082	0.4
107.95402	0.4
109.02958	1.5
109.40392	0.4
111.04532	6.3
113.02444	0.9
115.04006	0.9
127.04017	1.9
129.01958	0.8
135.04402	0.5
137.02426	1.2
143.03526	0.6
145.06650	0.5
147.04521	0.7
155.03523	1.8
158.03726	0.9
159.04494	0.6
161.06117	0.5
163.07657	1.0
172.05389	0.8
173.04573	30.4
173.06001	2.1
174.04968	1.1
177.09232	1.2
182.03745	0.6
185.05997	0.6
186.06850	1.7
187.07715	3.5
189.05597	0.6
189.09293	0.6
191.05630	100.0
192.05949	2.3
200.04803	1.3
201.05553	2.7
201.09200	0.7
202.06406	1.1
203.07095	0.6
204.07924	1.3
211.07695	1.9
213.09097	0.6
214.06406	3.2
215.07149	3.7
215.10893	0.5
229.08682	1.5
230.09552	0.5
231.10283	1.1
233.06660	3.7
244.11034	0.8
255.06586	0.7
256.07452	2.0
288.10049	1.9
306.11099	0.8
307.11826	1.0
350.13852	0.6
385.16797	2.8
403.17490	0.6
404.14645	0.7
480.16113	0.5
545.20386	6.2
546.20575	0.5
577.22992	6.3
578.23688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90887	0.4
59.01384	0.9
61.98601	0.5
61.98845	5.3
63.96239	1.4
69.03438	0.8
70.44077	1.0
70.44411	0.6
71.01391	9.0
73.02950	1.4
78.98600	6.4
79.95746	11.3
80.96526	76.0
81.03486	0.8
85.02977	3.4
87.00882	3.7
93.97291	0.5
94.98099	16.7
95.01410	0.4
96.96020	1.3
97.02974	1.7
99.00881	0.7
101.02454	3.0
101.03014	0.5
106.98106	4.6
111.70727	0.5
114.36220	0.4
117.50456	0.5
122.97588	3.1
125.02450	2.8
127.04015	0.8
133.58392	0.4
134.97612	6.3
136.99179	1.1
148.99164	8.3
152.98650	6.7
155.63214	0.6
164.98648	13.1
167.00197	0.7
193.37619	0.5
206.99760	2.7
225.00766	14.9
226.01167	0.6
277.21823	2.2
299.04581	2.6
567.46143	0.5
577.26892	100.0
578.27283	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	577.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93617	5.2
59.01393	7.5
61.48953	4.7
61.98842	27.5
64.26141	5.3
67.01882	7.1
69.41078	4.8
71.01376	12.1
71.54311	8.2
79.95723	8.0
80.91649	5.5
80.96525	8.1
85.02959	15.5
87.00886	13.1
93.03464	66.2
95.46835	5.0
96.96015	8.7
111.04520	10.0
134.03738	8.3
135.04520	73.3
139.74960	5.4
141.70992	5.1
151.04018	24.7
161.02527	6.0
173.04544	42.9
173.05821	5.4
177.49789	5.3
179.03535	14.9
191.05630	100.0
197.11833	6.3
249.09172	6.5
268.88852	5.8
307.08005	7.0
308.09012	16.5
515.18677	7.6
577.22357	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	577.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89205	0.8
59.01383	13.5
63.68300	0.8
71.01386	2.7
71.53358	0.9
78.95957	1.3
80.96531	1.4
85.02975	1.2
89.02452	1.8
96.06023	0.8
96.38313	0.9
101.02417	2.0
112.34794	0.9
113.02461	1.0
114.73300	0.9
121.41393	0.8
153.12115	1.1
191.05632	2.5
207.10298	0.8
209.11771	1.9
225.11383	1.3
235.08075	1.5
253.09341	11.4
281.24878	100.0
282.25299	6.5
293.21371	2.5
295.22839	1.6
299.04440	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	577.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.9
56.06347	0.9
57.03442	2.3
58.47059	0.9
59.01373	3.1
61.98813	0.9
68.59594	1.0
69.17059	0.8
71.01355	4.2
71.01735	2.3
71.05008	4.0
72.29177	1.0
83.05018	1.3
95.49035	0.9
97.02923	2.8
97.06573	2.7
99.00893	16.6
109.06592	1.2
123.08143	1.0
125.09718	10.9
127.11291	2.3
142.02699	1.2
163.10051	1.1
163.11310	9.9
181.12372	19.5
191.05708	1.0
197.11888	1.9
199.13420	35.6
207.08423	1.7
207.10275	30.5
208.10651	1.0
220.62221	0.9
225.11340	76.5
226.11676	1.7
229.43159	0.9
234.98285	1.0
243.12384	18.4
275.20309	0.9
277.21741	97.8
278.22003	5.1
299.15125	10.7
300.15320	1.2
317.16068	25.1
318.16367	1.4
362.86142	1.0
510.97409	0.9
577.37189	100.0
578.37488	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	577.3747
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
52.97915	1.6
57.03437	2.6
59.01384	2.6
71.01386	3.3
71.05029	4.4
72.34790	1.6
78.19458	1.8
84.75021	1.6
88.24836	1.6
97.02956	4.0
97.06625	4.0
98.19888	5.0
99.00893	18.9
100.61491	1.6
104.50378	1.9
109.06553	2.1
120.00652	1.5
123.08125	1.9
125.09751	9.6
136.16991	1.7
150.13728	1.9
163.11284	10.3
181.12361	18.7
199.13405	34.0
207.10240	28.6
207.11992	3.0
225.11333	67.3
226.11658	2.1
243.12379	15.9
245.03477	2.0
277.21741	62.3
278.22168	3.2
299.15033	9.7
317.16028	22.4
441.04025	1.8
495.42285	2.0
548.34290	1.9
577.37488	100.0
578.37756	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	577.3751
Annotation	FD 891
Peak:m/z	Relative Intensity
57.03449	1.3
58.28284	0.6
59.01375	1.6
69.03463	10.8
69.54831	5.1
71.01395	2.3
71.05026	2.6
78.95918	1.8
83.05025	1.4
89.02471	0.7
97.06599	2.2
102.48061	0.6
109.02927	0.8
109.06563	0.8
109.73822	0.8
123.08167	3.5
125.09725	4.8
137.09665	1.7
149.09753	1.1
151.11304	6.6
153.12889	1.7
156.99403	0.7
161.09724	13.6
179.10788	41.9
180.11169	1.4
197.11848	100.0
198.12222	4.1
223.09785	7.4
233.49689	0.7
241.08385	1.1
241.10822	17.0
278.80072	0.7
279.23309	94.3
280.23709	4.9
297.13434	13.1
315.14529	27.1
315.17542	0.5
316.15027	0.8
400.48901	0.7
577.37506	95.8
578.37933	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	577.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01390	1.4
64.83648	0.7
67.01896	0.8
69.03457	9.8
71.01375	1.2
71.05023	2.0
78.95921	3.4
83.05022	0.9
93.03489	1.0
94.67793	0.6
95.05043	1.3
97.02936	0.7
97.06586	1.9
111.04488	0.7
123.08184	3.3
125.09727	6.3
130.27644	0.7
130.67331	0.6
133.02977	2.2
137.09718	1.1
139.29527	0.7
149.09785	1.3
151.11304	7.5
153.12878	3.4
158.45901	0.7
160.01646	1.4
161.02393	0.9
161.09731	15.2
162.09961	0.7
175.03995	2.3
179.10794	49.2
180.11131	0.9
197.11839	98.2
198.12169	3.2
223.09846	5.3
241.10831	18.5
255.23083	0.9
279.23303	82.7
280.23645	5.4
297.13434	11.2
315.14526	24.0
315.17477	0.5
316.14737	1.1
327.29004	0.9
338.02106	0.8
350.39044	0.8
362.64008	0.8
503.33597	1.8
527.71924	0.8
529.99933	0.7
577.37476	100.0
578.37775	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4229
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
54.54508	0.5
57.61381	0.5
58.60427	0.4
59.01376	2.1
68.87540	0.4
70.70632	1.3
71.01389	0.4
74.56989	0.4
82.41144	0.4
93.03509	0.5
103.89922	0.4
119.33138	0.4
122.30933	0.4
125.25250	0.4
199.90782	0.5
209.29964	0.5
216.90016	0.4
275.20081	0.5
277.21738	100.0
278.22095	5.1
332.47046	0.5
333.32260	0.5
428.93103	0.4
451.59174	0.5
577.42432	38.3
578.42871	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	578.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89483	0.4
61.98838	100.0
65.82373	0.4
66.42936	0.5
70.71221	0.7
70.71554	0.8
71.01395	2.0
78.98628	1.0
79.95734	2.4
80.96526	16.0
85.02980	0.7
94.98099	4.2
99.94146	0.4
101.02487	0.9
106.98096	1.0
122.52641	0.6
122.97619	0.6
134.68289	0.5
134.97626	1.1
148.99194	1.3
152.98685	1.6
164.65544	0.5
164.98643	2.5
206.99663	0.6
217.87619	0.5
225.00777	3.2
279.23364	1.8
280.23767	1.8
281.24103	1.0
281.96118	0.5
299.04440	1.0
579.28461	27.2
593.16797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.2
69.47494	0.5
69.47894	1.8
71.01382	0.4
78.95903	5.2
78.98592	0.9
79.95747	1.1
80.96522	9.4
82.96087	0.5
85.02979	0.5
92.81963	0.4
94.98088	2.4
114.69357	0.4
129.23476	0.4
129.29590	0.3
134.97621	0.6
148.99109	0.5
149.99542	0.4
152.98550	0.6
152.99641	1.1
164.98642	0.7
168.04295	1.5
173.13026	0.3
224.06993	0.9
225.00775	1.1
242.07988	3.0
278.22299	0.4
279.23306	100.0
280.23666	7.3
360.09775	0.4
391.23749	0.4
398.46518	0.3
475.38278	0.3
504.30994	27.9
505.31314	2.7
578.27209	13.9
578.36292	0.4
579.27197	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	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.6
59.05360	0.4
59.76641	0.6
71.01388	1.7
78.95913	21.5
78.98601	2.0
79.95734	2.7
80.96526	17.0
82.52640	0.5
85.02956	0.8
85.32493	0.7
87.00891	0.7
89.29841	0.6
94.98086	3.0
106.98088	0.6
122.97657	0.9
125.02498	0.8
134.97595	0.8
148.99173	1.3
152.98558	1.0
152.99669	3.5
164.72052	0.5
164.98633	2.1
165.81866	0.5
168.04375	3.3
184.32806	0.5
224.06969	7.6
224.09009	1.0
225.00745	2.7
226.01199	1.0
229.73325	0.8
242.08032	2.6
245.84940	0.6
279.23312	100.0
280.03622	0.5
280.23703	5.5
493.00391	0.8
504.31024	61.0
505.31195	5.0
578.27222	24.3
578.36426	1.1
579.27356	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	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32769	0.7
58.00597	1.3
59.01386	70.7
60.74630	0.7
61.98839	4.3
63.52055	0.8
69.03465	0.9
71.01388	20.9
72.99310	0.8
73.02953	27.6
77.60652	0.8
83.01402	7.9
85.02963	7.1
87.00887	2.2
89.02446	4.8
92.85520	0.8
93.03465	6.9
95.01396	2.2
96.96015	5.8
97.02982	1.9
99.00874	1.4
101.02450	26.5
108.02227	1.2
111.04527	1.3
113.02466	11.5
119.03521	3.5
120.66467	0.9
121.02972	5.8
122.03760	12.3
123.00906	1.3
123.04574	1.2
125.02483	1.4
125.58711	0.8
127.00363	0.9
131.03542	2.5
131.08488	0.7
133.02977	1.4
134.03728	0.8
135.04559	1.7
136.00902	0.8
136.01717	9.3
138.03253	0.9
139.00436	2.4
143.03510	3.4
147.04575	1.7
149.02466	51.4
149.04553	5.8
150.03252	73.4
151.04057	8.2
155.03557	1.2
160.05313	1.8
161.04579	10.4
162.03246	1.7
163.04025	1.1
164.04817	14.6
165.05589	73.7
166.02716	1.2
166.05997	1.3
173.04536	3.2
177.05551	1.0
179.07158	3.1
180.04341	4.1
181.04979	2.2
191.03748	1.6
191.05640	20.6
191.07361	1.2
195.06648	34.6
196.06984	1.1
203.05650	2.1
218.05910	1.7
221.06697	2.9
222.06825	1.8
229.32320	0.9
235.02502	1.4
235.06104	1.5
250.04819	1.9
265.07117	2.9
283.09821	4.4
284.03229	1.8
285.04086	13.5
286.04382	1.1
296.10657	1.0
297.07809	0.8
312.10037	13.2
313.10583	1.2
327.12396	100.0
328.12717	5.9
369.13373	3.2
375.14432	1.2
399.10635	4.3
417.11548	12.1
417.16934	0.9
471.16666	13.8
489.17630	1.8
519.18530	1.9
531.18524	4.9
532.19421	0.9
537.19989	3.5
579.14886	4.1
579.20306	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	579.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42389	0.9
57.03450	1.6
57.38908	0.8
59.01387	8.5
63.43119	0.8
67.01888	2.7
69.03469	0.9
71.01389	5.0
73.02947	1.0
79.95746	0.9
81.03460	1.2
83.01414	0.8
85.02958	8.0
87.00883	3.7
89.02431	1.7
90.10278	0.7
93.03471	18.7
93.04034	0.7
96.96030	9.6
99.04535	2.7
101.02428	3.0
103.36876	0.8
108.02196	2.0
109.02961	4.4
111.04515	3.2
113.02450	2.3
119.03532	1.0
119.05038	1.0
121.02942	1.3
121.56950	0.8
123.00886	2.5
123.04507	1.4
125.02454	2.4
127.03992	1.6
135.04514	1.1
137.02454	11.0
149.02425	1.7
151.00380	18.4
151.04048	2.0
152.01132	2.4
152.04793	1.8
153.01942	0.8
154.02777	0.8
155.03493	1.7
161.02426	1.4
161.04535	1.4
163.04086	1.9
165.00143	1.1
165.01958	0.9
166.02730	55.0
166.43306	0.8
167.03386	3.4
173.04564	14.0
175.03951	1.9
177.01892	3.3
178.02666	1.0
179.03459	1.6
181.05087	71.5
182.05394	2.0
184.03851	0.9
191.05629	66.3
192.04402	1.2
192.06003	3.0
205.05045	1.5
205.08879	0.8
226.06476	1.1
227.06993	1.5
243.02858	0.8
253.09116	1.4
271.06070	1.5
325.07355	1.0
325.14441	1.2
329.10138	1.2
343.15546	0.9
343.21155	1.9
359.11594	1.9
369.13367	1.6
375.83286	0.9
387.10803	14.7
388.11423	1.6
402.13324	6.9
405.24701	1.7
417.15582	100.0
418.16110	7.6
481.11697	1.4
499.12766	3.2
508.17017	0.9
519.31738	2.3
549.20221	1.4
561.07233	3.0
561.20233	2.1
579.08807	8.5
579.22443	3.9
579.30225	1.1
580.08801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01385	100.0
60.01717	0.5
70.99906	0.7
71.01390	1.0
73.02978	0.9
79.95750	1.5
85.02957	2.4
87.00876	0.5
90.34978	0.4
93.03472	2.7
96.96019	32.7
98.95601	0.4
99.04530	0.7
101.02483	0.6
102.24484	0.4
109.13670	0.6
121.03053	0.5
126.90444	4.3
127.04122	0.5
135.04539	0.6
138.03227	0.5
145.02939	0.6
147.04558	0.8
149.02510	0.4
150.03261	0.5
153.05742	0.4
159.04523	0.4
159.14259	0.5
161.04675	0.6
163.03967	0.6
165.05586	1.1
173.04605	3.2
173.10611	0.4
175.04066	2.1
189.05644	0.5
190.06442	1.2
191.05618	19.4
219.06566	0.7
222.05476	1.2
235.07790	0.6
239.07239	0.4
249.05725	0.5
253.08949	0.5
263.07513	0.8
267.06656	0.8
269.08401	1.7
279.06793	1.9
281.08176	2.9
283.09973	0.7
291.06827	0.7
292.07642	0.5
293.08344	1.4
294.09140	2.0
296.10611	0.8
297.07751	7.8
297.11121	0.9
308.10629	1.0
309.07803	11.3
309.11383	3.6
312.10062	8.3
323.09317	2.6
324.10037	8.9
324.13718	0.6
327.12375	39.8
328.12741	3.2
339.12372	37.7
340.12781	2.9
343.11929	0.5
369.13568	1.3
417.12216	1.0
547.18652	1.7
561.07507	1.0
561.20441	0.6
579.08777	1.9
579.21674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	86.3
67.01877	4.3
69.36259	14.8
69.36680	11.5
71.01385	49.4
73.02944	13.9
79.95749	3.0
85.02958	21.5
87.00910	6.3
89.02463	45.3
93.03475	15.5
96.96021	69.6
101.02451	25.2
111.04477	3.4
113.02466	36.2
119.03504	14.6
136.01724	3.2
137.02492	3.5
143.03493	5.0
149.02371	3.9
150.03247	5.0
161.04556	11.7
165.05556	9.3
166.02731	5.3
173.04573	14.4
173.18484	3.4
179.05615	8.6
181.05096	5.2
191.05623	100.0
192.06026	3.3
195.06506	4.0
234.73192	3.3
262.22101	3.1
289.05328	4.8
327.12396	9.3
369.13397	8.3
417.15817	4.8
475.22147	17.8
481.89392	3.6
493.23062	19.3
512.11627	4.0
545.15753	3.7
579.08099	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	579.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36935	2.1
59.01388	4.5
59.61449	2.1
67.54530	2.1
67.64355	2.6
69.39380	4.7
69.39783	15.0
71.01399	4.1
74.99113	2.9
85.02974	8.9
93.03477	4.5
96.96023	31.2
98.20610	5.6
135.04556	3.5
173.04657	3.5
191.05635	100.0
192.05902	4.1
353.08795	5.7
375.06940	3.6
378.06384	10.0
378.56540	3.1
579.17377	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89384	2.2
59.01365	2.7
60.99308	7.2
61.98840	3.5
64.01544	1.9
67.01891	15.8
69.03455	3.8
69.56078	1.8
69.70631	5.6
69.71047	4.9
71.01375	7.5
78.95911	24.2
79.90215	1.9
81.03436	2.8
83.05054	1.9
85.02956	7.8
87.00882	20.3
93.03469	100.0
94.03792	2.9
96.96970	2.4
107.05047	3.9
109.02943	2.7
111.04546	17.1
111.74977	1.9
121.02937	2.2
122.03583	2.2
129.01939	2.6
133.02969	9.8
134.03777	9.6
135.04559	18.7
137.02377	2.5
150.98836	1.8
152.99605	3.3
155.03474	4.8
161.02467	2.2
171.00693	4.2
173.04561	77.2
173.06042	4.8
174.04927	2.2
178.02786	9.4
179.03540	7.6
189.05672	2.0
191.03992	3.6
191.05627	44.4
231.10181	3.6
251.10774	1.8
257.08224	3.1
275.09332	4.3
351.07230	6.6
449.14594	37.0
579.21887	11.7
579.31555	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	579.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
63.96238	1.3
67.40368	0.4
69.22562	3.4
69.22972	1.2
71.01391	6.7
72.99308	0.6
73.02947	2.2
73.16119	0.4
78.98600	4.7
79.95747	9.0
80.96525	58.0
81.03442	0.8
85.02950	2.6
87.00876	1.8
89.60198	0.4
94.98096	13.2
96.96017	1.9
97.02955	1.4
101.02467	2.1
106.98083	2.8
107.61663	0.4
113.02441	0.5
122.97618	2.6
125.02473	2.8
133.38063	0.5
134.97595	4.8
136.99147	1.3
148.99142	5.4
152.98645	4.5
164.98622	11.0
167.00223	0.7
206.99721	2.3
214.34769	0.4
225.00763	11.6
279.23331	2.2
299.04407	2.7
378.87454	0.5
579.28473	100.0
580.28784	9.7
601.82239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87158	55.0
69.87552	27.6
71.01385	23.7
85.18166	15.2
87.00871	31.7
93.03471	90.3
97.20489	12.9
106.23462	12.3
109.99653	13.9
122.09048	12.6
127.03983	16.6
128.02234	16.8
135.04539	19.3
136.01685	21.0
137.02522	13.2
141.08623	13.2
163.04010	20.5
173.04573	100.0
176.29062	13.6
178.02608	16.1
191.05681	83.8
192.05907	16.5
209.11804	16.8
239.33775	14.2
251.06747	16.0
325.75543	12.8
404.99963	15.3
449.14499	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01382	3.0
69.18584	1.9
69.18929	11.5
69.19235	1.0
71.01387	2.5
71.05022	4.2
97.02995	2.2
97.06594	4.6
99.00892	23.8
100.62959	1.3
109.06683	1.2
123.08169	1.9
125.09737	11.0
127.11290	1.9
163.11285	10.5
181.10837	2.0
181.12357	21.9
182.87286	1.2
199.13422	40.6
200.13686	1.7
207.10263	31.2
225.11348	78.9
226.11700	3.0
243.12379	19.2
279.23318	86.6
280.23575	4.8
299.15048	6.9
299.63232	1.2
304.60590	1.2
317.16064	22.6
396.09909	1.1
448.64099	1.3
487.18430	1.3
579.39056	100.0
580.39514	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	579.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.64232	1.1
59.01378	2.5
59.92255	1.0
65.13151	1.2
71.01390	2.5
71.05029	5.5
97.02954	2.9
97.06609	4.9
99.00890	18.7
123.08173	3.1
125.09733	11.2
142.02667	1.5
163.11310	11.2
179.10768	1.5
181.12358	19.7
197.11818	2.3
199.13412	40.1
200.13791	1.7
207.10260	30.6
225.11342	77.8
226.11629	2.8
243.12363	19.2
279.23309	81.3
280.23715	6.2
299.14990	10.3
317.16083	25.6
499.08176	1.4
579.39044	100.0
580.39294	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	580.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56101	0.4
59.01385	14.1
61.98835	5.3
63.99245	0.7
71.01392	1.9
78.95917	4.6
78.98606	1.8
79.95745	2.7
80.96527	17.9
81.96484	0.6
82.96094	1.3
85.02933	0.5
87.00895	0.8
94.98098	3.4
101.02486	0.5
106.98083	0.6
121.98654	0.4
122.52788	0.4
122.97585	1.0
125.02431	0.5
134.97574	1.3
148.99136	1.1
152.98613	1.1
152.99657	0.9
164.98642	2.1
165.99005	0.5
168.04303	0.9
224.06937	1.1
225.00757	2.6
226.00992	1.0
242.08040	2.8
280.23770	0.5
281.24881	100.0
282.25229	5.5
303.58609	0.4
374.57520	0.5
396.40790	0.4
506.24667	0.6
506.32547	25.4
507.32986	2.1
580.28857	28.8
581.28638	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	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63336	1.2
53.92859	1.9
57.03453	2.7
58.00599	4.0
59.01386	100.0
66.70820	1.2
67.01905	4.0
68.28471	1.3
71.01391	69.9
72.99310	4.4
73.02953	4.1
74.99119	1.6
78.20741	1.4
80.61675	1.4
83.01401	3.2
85.02960	18.4
87.00883	10.8
89.02457	87.0
89.73472	1.2
93.03462	21.1
94.78038	1.4
95.01402	4.7
96.96024	12.5
98.20755	3.2
101.02457	40.4
111.04529	2.1
112.93736	10.0
113.02466	27.4
113.03262	2.1
116.92916	3.5
119.03519	38.8
121.02974	2.3
125.22327	1.4
127.04001	2.2
131.03526	3.7
133.01476	3.1
133.02925	1.9
134.03664	2.1
135.04544	2.2
137.02434	7.0
138.03294	1.7
143.03510	7.8
145.02975	2.7
149.04544	3.7
151.04053	3.1
152.01108	2.2
152.04738	1.6
153.05643	1.8
161.02411	2.9
161.04614	8.3
167.03529	4.7
167.71513	1.4
173.04597	14.7
175.04001	6.1
176.04671	1.4
177.05554	1.9
178.02745	1.9
179.05618	15.9
187.04037	6.6
188.04831	2.6
189.05556	1.9
190.06357	4.4
191.05626	92.7
192.05942	5.6
193.04871	2.0
193.06412	1.8
202.06403	3.1
203.07161	3.0
205.05060	7.3
209.11792	1.6
211.07594	5.0
219.06537	2.0
220.07382	5.8
228.07994	1.9
235.09760	6.1
257.11960	2.1
264.49936	1.6
283.13455	2.8
299.05432	1.8
299.12918	2.3
311.12781	2.0
313.10864	2.6
327.12381	2.4
327.16010	4.1
341.10367	7.6
356.12561	3.2
371.15192	11.2
386.13687	2.0
389.15845	4.9
389.20358	1.5
401.16086	55.7
402.16376	5.1
501.13037	2.2
545.19861	2.5
563.21899	9.8
581.09875	6.4
581.22455	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	581.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.5
61.98837	100.0
69.49959	1.7
69.91528	0.2
76.20274	0.2
78.95913	2.3
80.96479	0.6
82.96127	0.9
84.22575	0.2
86.95958	0.2
96.96020	0.3
96.97622	0.3
98.20677	0.2
138.40601	0.2
140.23218	0.2
147.01813	0.2
152.99600	0.4
224.07004	0.3
279.23294	3.0
280.23676	3.1
281.24011	1.8
282.24249	1.3
284.03323	0.3
304.92685	0.2
350.75357	0.2
504.31204	1.0
505.31491	0.6
506.32101	0.5
507.31891	3.2
513.05176	0.3
581.27313	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	581.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.89240	0.2
61.98836	100.0
67.79494	0.2
71.54448	0.2
78.95927	1.1
79.95770	0.2
80.96519	0.4
82.96127	0.7
96.52684	0.2
96.97708	0.2
106.61156	0.2
112.66366	0.2
122.48129	0.2
137.85803	0.3
152.99632	0.8
156.27788	0.3
163.69196	0.3
213.14296	0.3
277.08688	0.4
278.09396	0.5
279.23297	3.7
280.23639	4.8
281.23984	3.0
282.24210	2.0
295.09744	2.4
296.10199	0.4
297.10361	0.4
345.69394	0.2
504.31335	1.0
505.31668	0.4
506.31573	0.5
507.31781	1.7
581.27289	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	581.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67187	11.0
71.01385	6.7
73.02962	2.3
78.98594	3.6
79.95754	8.1
80.96523	51.3
87.00902	2.6
94.98091	12.4
97.02944	2.4
98.19904	3.3
106.98156	2.4
107.59646	1.8
122.97550	1.9
125.02480	4.0
134.97560	3.8
136.99080	1.9
148.99126	5.8
152.98616	3.4
164.98618	10.9
210.19592	1.9
225.00803	11.3
239.77185	1.7
299.04306	3.2
360.98825	1.9
398.76044	1.9
459.37085	2.2
499.83298	2.3
581.30060	100.0
581.39380	4.7
582.30621	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	582.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20296	0.5
59.01384	21.7
59.77912	0.4
69.55546	0.4
69.55857	2.8
78.95911	21.2
80.96524	1.2
94.57045	0.4
96.96006	0.7
98.19907	0.9
122.98537	0.5
128.86237	0.4
139.15219	0.4
152.99612	3.0
153.74969	0.4
168.04312	2.7
170.67635	0.4
224.06953	8.4
242.08005	1.7
268.92352	0.4
283.26440	100.0
284.26807	7.1
301.48230	0.4
508.34100	64.9
509.34433	6.5
542.47339	0.5
582.30499	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	583.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02137	1.0
59.01387	45.7
61.98825	4.4
62.57394	1.0
70.10349	1.0
71.01388	12.2
71.54596	1.3
72.99332	1.3
73.02953	11.2
83.01404	3.2
84.04566	1.0
85.02945	4.6
87.00887	2.1
89.02452	5.7
93.03471	5.2
94.85458	1.0
96.96042	8.3
99.00911	1.3
101.02437	10.6
113.02428	4.2
116.92901	1.1
119.03531	1.4
123.60096	1.0
125.02493	1.6
128.03458	1.5
129.75333	1.0
133.02908	1.5
134.12254	1.0
135.04541	2.0
150.03195	3.9
151.00369	2.3
161.04437	1.1
163.97523	1.0
165.05606	2.4
173.04628	4.9
179.03415	1.0
181.09859	1.1
191.05621	12.0
192.06017	2.0
195.06612	2.2
252.95860	1.4
255.03079	1.2
257.08194	1.3
308.03299	1.8
317.21259	10.8
335.22153	1.2
337.64700	1.1
347.39505	1.0
426.00290	3.0
463.27197	5.3
479.26495	3.3
481.28088	3.3
497.27606	5.3
523.29034	1.7
537.27307	1.1
539.28680	100.0
539.36475	4.4
540.28955	9.5
565.22015	1.7
583.17987	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	583.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
62.20412	0.9
63.10827	0.7
71.01389	5.7
73.02946	0.9
78.98596	5.1
79.95737	7.3
80.96523	57.5
85.02948	2.6
87.00877	3.0
94.98092	14.6
97.02959	1.0
98.19785	1.8
99.00854	1.1
101.02408	1.3
106.98096	3.1
122.97588	2.3
125.02412	2.1
132.47375	0.8
134.97604	4.4
136.99113	1.5
142.11687	0.8
143.29709	0.9
148.99152	5.3
152.98630	4.9
164.98642	9.1
169.12271	1.0
200.42094	0.8
206.99660	3.3
225.00757	12.4
229.34979	0.8
283.26358	1.3
299.04419	2.9
410.03253	0.9
583.31592	100.0
584.31891	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	585.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16445	0.9
50.32959	0.9
58.03005	1.0
66.44653	0.9
70.34724	3.1
70.35100	1.8
72.00914	3.2
74.02480	8.4
76.42637	1.0
82.02996	13.1
83.06670	1.1
84.04554	10.8
86.02476	4.9
91.82965	1.0
109.79509	1.1
111.03281	1.3
112.07710	3.1
124.07723	2.5
125.07256	1.1
127.05158	5.3
128.03558	75.9
134.35852	1.0
138.09305	0.9
150.13991	1.0
150.62497	0.9
151.08710	1.6
153.10341	2.3
155.11916	12.0
179.08186	1.1
181.09833	21.7
199.10899	100.0
200.11232	3.3
203.59265	0.9
206.72441	1.0
243.09882	29.0
244.10077	1.7
525.24756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04227	3.4
51.23524	2.8
63.28458	3.1
70.51824	6.1
74.02490	5.2
82.02988	7.5
84.04571	5.0
88.07115	2.8
127.05101	3.5
128.03554	66.1
155.11903	7.3
160.52971	2.8
166.33090	3.6
181.08534	3.2
181.09763	16.9
199.10912	100.0
242.10510	3.2
243.09886	45.8
244.10226	3.8
283.06061	2.9
346.59894	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	585.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	0.4
59.01385	4.3
61.98839	0.7
67.01892	1.1
69.03461	0.4
71.01386	2.4
71.71501	0.3
73.02947	0.6
81.03471	0.6
85.02962	12.1
87.00881	2.6
93.03467	6.1
93.67503	0.3
95.01380	0.4
96.95995	0.6
99.04501	0.4
101.02450	0.8
109.02950	1.1
111.04543	1.2
112.98655	0.3
113.02484	0.5
124.65968	0.4
127.04050	2.5
133.02957	1.0
134.03822	0.4
135.04544	1.1
137.02452	0.9
161.02423	0.6
163.04041	0.4
171.02965	0.6
173.04556	3.5
177.01909	0.5
179.03542	0.5
185.06102	0.5
191.05637	100.0
192.05946	2.4
196.05365	0.6
196.29968	0.4
197.06082	0.7
198.03259	0.6
200.08220	0.3
209.06017	0.5
209.11758	0.5
211.04034	1.0
211.07603	0.9
213.05542	0.7
218.43777	0.3
223.07584	0.5
224.04849	2.0
225.05576	0.6
225.09332	0.7
226.02734	0.8
227.03499	1.1
237.05638	0.7
238.06360	0.5
239.07179	0.8
240.04207	0.4
241.05020	0.6
241.08809	0.4
244.19804	0.3
253.05109	0.7
253.08832	0.9
255.03064	1.1
255.06755	1.3
259.05859	0.4
265.04984	0.4
267.06787	0.9
267.10214	0.5
269.04581	0.5
281.04626	0.6
281.08282	0.9
283.02539	0.6
291.13794	0.5
292.11139	0.4
293.11841	1.0
295.06155	0.9
295.09549	0.6
308.14127	0.5
321.11282	0.9
321.18631	0.5
323.16507	0.7
324.09924	0.6
327.01123	0.4
335.12973	0.6
343.27057	0.4
349.17999	2.0
364.13071	1.2
365.17682	1.2
367.19281	0.5
374.06131	0.6
375.16278	0.8
393.17194	24.0
394.17578	1.8
411.18112	1.8
488.09848	1.2
501.66626	0.4
585.22687	1.6
586.32275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33773	0.4
55.80993	0.4
55.89543	0.4
56.32622	0.3
57.03448	0.4
59.01382	2.9
59.24008	0.4
60.99333	0.5
61.98834	0.9
67.01889	1.0
68.21866	0.5
69.32915	2.7
71.01397	2.7
73.02962	0.4
75.44707	0.4
75.45139	0.4
79.69267	0.5
80.96537	0.5
81.03459	0.8
83.05036	0.6
85.02961	11.6
87.00878	3.7
93.03471	7.3
95.01373	0.5
96.96018	0.9
98.19962	0.8
99.04536	0.5
101.02461	0.4
101.93565	0.4
109.02958	1.4
111.04533	1.7
113.02422	0.5
115.00350	0.4
127.04063	2.6
135.04648	0.8
149.34213	0.4
163.03931	0.4
171.03047	1.2
172.05164	0.4
172.48390	0.4
173.04567	4.2
173.05937	0.7
176.78909	0.4
183.90895	0.4
185.06113	0.4
187.07611	0.5
191.05641	100.0
192.05933	2.7
197.06110	0.7
201.05658	0.6
205.08716	0.7
211.04031	1.2
211.07585	1.0
212.04791	0.5
215.07176	1.0
217.08609	1.1
224.04811	1.7
225.05470	1.4
225.09201	0.4
226.02695	0.4
226.06442	1.0
227.03557	1.7
227.07143	0.6
229.08678	0.8
238.06349	0.6
239.07211	1.1
240.04192	0.7
243.10172	0.4
252.04247	0.4
253.05081	0.7
255.03003	1.1
255.10320	0.9
266.05963	0.5
267.06641	0.7
269.04623	0.7
281.08179	1.2
283.02490	0.8
292.11102	0.5
293.11868	2.0
295.06320	0.5
295.09494	0.5
296.10458	0.4
307.13354	0.6
308.14294	1.0
321.11313	1.0
323.16605	0.6
335.12982	1.1
349.18115	1.8
364.13156	1.8
365.17807	0.7
367.19205	0.6
373.58081	0.4
375.16138	0.5
393.17120	26.1
394.17355	1.4
411.18256	1.3
446.08191	0.4
461.19931	1.3
488.09406	0.6
536.97803	0.5
585.22900	2.9
586.23682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30696	1.0
51.40814	1.0
57.03442	3.9
61.98829	1.6
70.82440	1.1
78.95908	4.3
79.19721	1.4
83.05057	1.4
95.05032	1.4
97.06615	11.4
98.20697	2.8
120.85716	1.2
123.08169	7.1
123.86050	1.2
125.09736	100.0
126.10088	2.1
169.08698	3.7
171.10291	38.5
187.09773	61.7
188.10202	1.2
191.05623	2.4
194.03383	1.1
196.03838	1.9
225.11436	1.5
229.50568	1.3
235.48477	1.3
236.69606	1.2
243.12355	5.5
261.13412	11.1
415.23364	20.9
416.23874	1.8
431.22934	17.8
432.23206	1.6
458.25256	1.3
517.50085	1.2
571.01367	1.3
579.17242	1.3
585.32861	59.6
586.32983	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	587.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	90.0
58.03798	1.6
59.01387	100.0
66.28440	0.8
67.01900	1.3
70.90716	1.7
70.91059	2.2
71.01388	15.9
73.02967	8.2
79.66003	1.0
81.03473	3.3
83.01425	4.6
83.05035	2.6
85.02959	12.1
87.00893	2.2
93.03481	16.9
95.01390	1.2
95.95272	1.8
96.96037	11.5
99.00893	2.7
99.04530	82.2
100.04860	1.5
101.02454	33.3
111.04541	7.0
113.02473	7.1
125.02462	38.9
126.02769	1.2
127.04051	1.3
129.01985	2.1
132.68321	0.9
137.02448	2.7
143.03502	5.7
150.03209	1.5
155.03545	8.6
159.02982	1.7
161.04544	7.9
165.05611	2.1
173.04568	57.5
174.04904	1.5
191.05640	31.3
195.06665	1.9
233.06699	7.6
269.10321	17.7
274.40680	1.1
275.07672	2.1
311.11310	11.9
312.11533	1.0
351.14685	3.0
369.15720	1.2
413.14526	49.5
414.14899	3.6
459.09256	2.2
467.16315	1.0
493.52368	1.2
587.10748	1.9
587.19904	35.8
588.20105	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	587.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03455	43.9
59.01387	54.4
60.01704	1.3
60.99297	0.9
67.01890	6.3
69.03461	1.4
69.72324	4.3
71.01391	11.3
73.02947	3.4
79.95771	1.4
81.03450	2.2
83.01392	1.9
83.05025	1.4
85.02947	6.1
87.00857	1.2
88.86649	0.7
93.03471	38.2
94.95457	0.7
95.01389	0.9
95.54448	0.8
96.96021	31.3
98.20003	1.3
99.00876	1.5
99.04530	44.2
100.04842	0.8
101.02458	17.4
109.02969	1.3
109.03721	0.6
111.00890	1.2
111.04530	7.2
113.02468	4.5
125.02468	20.5
127.04057	0.7
129.01978	1.1
137.02461	9.4
141.10542	0.7
143.03500	2.9
155.03531	7.3
161.04590	5.2
173.04567	100.0
174.04909	1.9
181.34651	0.8
191.05634	15.6
233.06621	4.3
269.10306	10.4
275.07825	1.3
305.06940	1.0
311.11377	8.0
351.14578	2.8
413.14539	29.5
414.14825	2.0
449.11237	4.7
587.14099	8.4
587.20551	7.8
588.20868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95615	3.0
76.27502	1.2
84.04570	2.1
109.73235	1.2
116.07191	65.5
126.79861	1.1
127.62296	1.1
128.03555	100.0
129.03943	1.8
142.95297	1.2
148.95427	1.4
159.32541	1.2
165.10301	2.1
183.11397	6.9
199.10867	1.5
202.28624	1.3
209.09341	10.2
227.10410	11.6
234.28105	1.5
245.11444	79.1
246.11606	2.7
270.25735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28869	0.4
59.01382	4.2
61.98837	1.8
67.01879	0.8
69.03455	0.7
71.01386	2.9
71.08511	1.0
73.02933	0.5
75.25467	0.5
78.95901	0.5
80.96526	0.6
81.03461	0.5
83.05058	0.8
85.02963	11.0
87.00878	3.8
87.17340	0.4
89.02428	0.6
93.03468	7.2
95.01416	0.5
96.96017	1.0
97.80481	0.4
101.02444	1.1
109.02964	1.1
111.04533	2.1
113.02407	0.5
119.04986	0.4
127.04028	2.6
129.54744	0.4
135.04579	0.5
137.02480	0.5
143.03485	0.5
158.53276	0.4
165.12891	3.1
171.03006	0.7
171.10297	4.6
173.04550	3.2
191.05626	100.0
192.05888	2.6
197.11880	3.9
198.03233	0.6
201.11345	0.7
203.07076	0.5
211.04027	0.9
224.04886	0.5
225.05580	1.0
226.02715	0.4
227.03522	0.6
238.06375	0.6
239.03532	0.9
239.07140	0.8
247.20676	1.4
251.07234	0.9
253.05193	1.0
253.09245	3.5
273.18591	0.7
279.10223	0.5
280.10730	0.6
281.04620	0.9
281.11121	0.5
291.19687	19.9
293.15308	0.6
295.13361	1.8
297.18628	1.3
310.15598	0.7
323.20291	0.7
325.18243	0.9
337.14432	0.6
351.19440	2.4
366.14661	1.0
367.19235	1.7
395.18640	23.3
396.18875	2.5
413.19769	1.3
441.12030	0.8
572.27362	0.5
587.15680	1.0
587.25024	2.3
600.34424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.6
59.01377	2.8
60.99290	1.0
61.98837	4.5
67.01904	2.3
67.06687	1.3
67.93166	1.0
69.03458	1.2
71.01399	2.2
79.82975	1.1
81.03445	1.8
83.05043	7.0
85.02962	2.3
87.00889	3.8
93.03465	15.2
96.95992	1.4
97.06598	10.7
100.76631	0.9
102.05634	1.7
102.31557	1.0
109.02951	1.5
109.06586	1.2
111.04491	2.3
111.08173	44.2
123.08213	4.9
125.09739	82.9
129.09232	1.2
157.08907	1.0
169.08723	2.9
173.04602	8.5
173.08200	34.8
187.09767	60.6
188.10121	1.3
191.05630	37.8
192.06004	2.4
215.07217	2.6
215.24734	1.1
225.11380	2.2
233.06775	1.2
243.12479	1.2
247.11905	4.4
256.07391	1.3
257.11862	2.1
261.13385	10.0
283.11868	1.1
291.19711	3.9
303.28250	1.3
307.03311	1.1
417.21344	19.6
418.21744	1.3
431.22757	7.2
542.43561	1.0
550.14618	1.1
569.29803	2.5
587.30884	100.0
588.31262	10.1
593.58905	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	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43933	1.0
59.01388	10.9
61.98829	2.5
68.55676	0.9
69.24063	9.1
71.01390	4.0
78.57761	0.8
80.96493	0.9
81.95418	0.9
85.02958	6.8
87.00890	3.1
89.02441	2.6
93.03465	7.5
95.01324	1.1
96.96011	1.2
98.20772	1.6
101.02456	3.0
106.06807	1.2
112.98574	1.2
113.02458	1.4
119.18400	1.0
127.04025	1.6
131.10152	1.1
150.10490	1.1
161.04575	1.4
163.04086	1.1
165.12859	13.2
171.10309	10.1
171.89560	1.0
173.04564	4.2
191.05630	68.7
192.05945	1.6
197.11890	7.7
199.03946	1.1
199.06076	1.0
247.20668	8.1
253.09293	15.8
273.18588	2.8
281.11722	4.2
291.19684	100.0
292.20166	6.0
351.19727	2.0
367.18915	1.3
395.18671	14.8
396.19022	1.6
441.11865	1.2
587.15814	2.1
587.24713	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	588.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69605	0.5
58.52205	0.5
59.01387	2.1
67.01871	0.5
69.46436	3.5
71.01391	0.9
72.34281	0.6
79.95744	10.6
80.96518	4.6
85.02945	0.9
87.00865	0.9
88.98830	0.6
93.03466	3.1
93.20264	0.6
95.95258	3.7
96.96022	100.0
98.20608	0.7
113.02492	0.5
120.01267	8.2
120.99614	0.7
121.99194	0.8
122.97604	1.7
128.76669	0.6
135.04523	2.1
145.02916	1.3
150.03270	0.9
151.04022	1.0
161.02522	3.1
162.03264	4.9
163.04033	2.6
165.05586	0.6
166.00958	0.9
167.01723	0.6
173.04556	2.2
176.04834	0.9
177.05585	4.7
179.03540	5.9
181.03377	0.7
191.05646	5.2
194.05817	3.5
209.08208	2.4
211.04333	0.9
244.00630	1.4
245.01277	1.1
258.02090	1.6
259.02847	16.6
277.12381	0.6
291.00052	14.7
300.81238	0.6
362.44879	0.7
378.03241	2.7
379.02963	0.8
449.14673	2.4
501.08994	5.9
570.16913	0.7
588.12158	27.4
588.20660	1.1
589.11981	2.9
596.23120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69605	0.5
58.52205	0.5
59.01387	2.1
67.01871	0.5
69.46436	3.5
71.01391	0.9
72.34281	0.6
79.95744	10.6
80.96518	4.6
85.02945	0.9
87.00865	0.9
88.98830	0.6
93.03466	3.1
93.20264	0.6
95.95258	3.7
96.96022	100.0
98.20608	0.7
113.02492	0.5
120.01267	8.2
120.99614	0.7
121.99194	0.8
122.97604	1.7
128.76669	0.6
135.04523	2.1
145.02916	1.3
150.03270	0.9
151.04022	1.0
161.02522	3.1
162.03264	4.9
163.04033	2.6
165.05586	0.6
166.00958	0.9
167.01723	0.6
173.04556	2.2
176.04834	0.9
177.05585	4.7
179.03540	5.9
181.03377	0.7
191.05646	5.2
194.05817	3.5
209.08208	2.4
211.04333	0.9
244.00630	1.4
245.01277	1.1
258.02090	1.6
259.02847	16.6
277.12381	0.6
291.00052	14.7
300.81238	0.6
362.44879	0.7
378.03241	2.7
379.02963	0.8
449.14673	2.4
501.08994	5.9
570.16913	0.7
588.12158	27.4
588.20660	1.1
589.11981	2.9
596.23120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21006	1.3
59.01384	6.9
61.98833	10.6
62.79894	1.3
71.01392	3.5
71.53819	1.8
73.63152	1.4
80.01997	1.5
89.02409	1.4
89.04011	1.4
90.76214	1.5
93.03460	4.9
96.96017	7.0
101.02412	2.7
117.03458	15.4
119.05038	46.4
121.02953	3.9
132.02171	6.2
133.02969	6.0
134.03760	96.8
135.04431	3.6
135.66054	1.4
137.02469	5.3
143.10847	3.6
145.02962	14.3
147.04445	2.3
149.06116	12.1
159.04552	2.5
160.01651	22.9
160.05292	2.7
163.04022	52.4
164.04387	1.9
171.10330	1.9
173.04611	1.7
173.06047	2.2
175.04022	15.8
178.02707	5.0
179.03474	4.9
186.06847	2.2
191.05574	3.2
193.05063	100.0
194.05409	4.9
209.11812	4.7
215.07135	2.9
219.06535	1.8
230.05783	5.3
231.73953	1.4
235.17017	4.0
245.08122	2.5
253.09282	10.7
275.20203	7.8
293.21225	22.6
320.15823	1.6
351.12302	7.1
381.13629	3.0
395.11389	41.1
396.11661	1.6
413.12430	2.4
425.12451	26.5
589.16895	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	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.6
65.67513	0.3
71.54174	0.3
72.99318	1.8
75.00882	100.0
76.01221	0.5
85.13476	0.2
120.24278	0.3
206.60626	0.2
209.11853	0.3
277.21768	0.3
311.27103	0.3
329.99539	0.3
531.11487	0.3
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
54.78950	0.7
72.99308	1.4
75.00877	100.0
78.95902	3.0
79.69583	0.7
96.96043	1.3
97.91679	0.6
136.34967	0.7
152.99574	3.2
160.73401	0.7
230.19899	0.8
277.21780	2.4
278.81015	0.7
279.23221	1.7
320.97867	0.7
422.94263	0.8
507.26035	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	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.7
61.98838	15.0
70.75163	6.6
71.01376	5.7
89.02437	3.4
93.03445	6.6
96.96004	10.1
98.20505	2.2
100.71153	2.1
101.02419	5.5
113.02441	3.1
117.03467	8.1
119.05041	28.3
121.02933	2.6
132.02182	5.9
133.02982	4.0
133.64380	2.2
134.03757	45.4
135.04507	3.9
137.02425	2.9
143.10716	5.0
145.02983	7.6
148.98198	2.4
149.06058	5.7
160.01680	10.9
163.04013	34.6
171.10229	4.5
175.03972	8.8
178.02618	4.6
189.98920	1.9
191.05594	5.5
193.05042	49.7
194.05290	3.4
208.10977	2.0
209.11794	5.4
223.16997	2.1
230.05569	2.5
235.17003	20.5
253.09256	25.5
262.53604	2.3
275.20175	20.9
277.50909	2.4
293.21255	100.0
294.21466	5.4
301.27402	2.2
302.05750	2.9
334.07803	2.2
336.50970	2.3
357.01608	2.3
395.11267	19.0
425.12451	13.6
589.17194	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	589.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.8
61.98830	10.0
69.22848	9.7
69.23271	2.5
71.01382	4.9
73.02949	1.7
89.02460	4.0
93.03465	1.8
101.02457	4.6
113.02447	2.8
113.09754	1.7
143.03476	1.3
157.08899	1.5
161.04576	2.4
163.04042	1.6
171.10332	8.8
173.04590	2.0
183.13954	8.5
191.05606	3.1
195.13924	3.3
199.09694	2.4
211.13367	2.7
220.90143	1.5
223.13429	3.5
253.09331	22.4
275.20230	7.7
293.21255	100.0
294.21683	7.9
366.52716	1.6
420.94025	1.5
425.32053	1.5
444.63834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83443	4.0
57.32927	4.0
59.01375	14.1
60.59031	4.5
61.73317	5.5
61.98838	100.0
71.01383	9.3
71.53380	3.9
71.53850	9.1
96.96024	28.0
104.03690	4.6
109.16379	5.3
113.02386	4.5
119.05015	6.2
120.55042	4.3
145.03053	5.7
171.10301	20.6
173.04616	7.7
176.04404	4.3
191.05594	17.9
192.05949	6.3
226.06493	9.1
241.08771	13.0
253.09221	16.9
275.20233	17.6
293.21262	51.1
357.70129	4.4
450.04999	4.4
586.59778	5.1
589.16937	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	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.3
61.98833	8.6
69.03439	0.7
69.23288	1.8
69.23683	7.0
71.01394	4.8
71.05022	1.2
73.02988	1.3
74.20583	0.8
78.57961	0.7
83.42561	0.9
85.02947	1.2
87.00874	1.2
87.64173	0.7
89.02476	4.2
93.03452	1.7
96.96017	4.9
98.52487	1.0
101.02457	3.8
113.02449	1.8
113.09711	1.3
115.04090	1.0
115.68117	0.9
116.74386	0.8
119.05051	1.1
161.04547	1.7
163.03877	1.0
164.99516	0.8
171.10274	3.9
179.05675	0.9
183.13919	1.8
187.79883	0.8
191.05701	1.2
195.13916	1.1
209.02342	0.9
209.11855	1.3
231.21318	0.9
235.14917	1.4
235.17041	9.9
253.09315	25.4
275.20169	14.8
293.21255	100.0
294.21530	5.7
450.04672	1.0
504.91214	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	589.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33535	33.2
53.40917	32.4
58.46686	37.8
61.07779	37.7
64.16188	32.2
70.70751	100.0
78.35702	43.3
93.70715	34.3
171.10286	42.6
203.97722	38.2
222.27698	43.5
240.75166	37.9
326.40781	48.5
486.35660	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	590.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64728	1.0
52.65010	0.9
57.01949	1.3
59.01384	33.9
59.90985	1.0
61.98842	6.2
69.03467	1.3
71.01387	16.2
71.02023	2.7
71.96156	1.1
73.02961	7.1
74.02471	2.3
83.01389	2.4
84.04546	1.4
85.02976	5.4
87.00875	4.1
89.02443	5.1
93.03480	5.5
95.01414	1.1
95.67130	1.1
96.96004	7.1
97.02991	1.0
101.02448	8.9
102.04945	2.0
102.05619	35.9
113.02461	5.2
119.03500	1.7
125.02472	1.6
128.03555	53.2
129.03882	1.4
133.02972	1.7
135.04489	2.3
137.02432	1.8
146.04622	9.6
161.02452	5.1
173.04532	7.0
179.03523	1.8
191.05620	13.8
195.13974	6.2
213.14966	2.0
230.87379	1.1
280.19144	2.9
285.04031	9.5
300.39725	1.2
357.19211	3.6
375.20291	8.4
417.21335	25.2
418.21368	2.1
447.09113	2.6
460.25247	1.5
497.83505	1.1
504.24335	2.4
528.24701	11.1
529.24756	1.5
546.25592	100.0
547.25940	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	591.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.36671	0.4
59.01386	2.9
66.78938	0.4
68.99824	0.6
69.98770	1.6
71.01386	11.9
73.02950	1.6
78.71453	0.4
83.01397	1.5
85.02962	2.7
89.02440	0.6
90.66322	0.5
93.03470	21.9
95.01380	1.4
96.96048	0.9
96.99321	1.0
97.55238	0.6
101.02458	3.0
108.02184	0.6
108.66716	0.4
113.02467	2.4
115.00387	6.4
121.02966	2.1
133.02937	0.5
134.03761	30.4
135.04355	0.8
136.01701	1.7
137.02464	40.7
138.02814	1.1
139.04102	1.1
149.06113	13.1
150.03250	0.8
151.04051	0.7
171.36752	0.5
173.04517	1.4
178.02744	25.2
179.03412	1.7
191.05641	10.6
193.05081	56.0
194.05452	1.7
202.02750	0.6
218.16588	0.4
221.04562	0.6
233.04526	0.7
281.06696	18.3
282.07053	0.8
283.02597	0.6
285.04156	0.5
431.13806	0.7
475.12482	100.0
476.12805	9.1
549.25610	0.6
591.17065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03219	0.4
57.03455	3.8
59.01380	3.8
61.98823	1.5
63.02406	1.0
65.00334	0.5
68.47283	0.4
71.01381	2.2
71.53981	0.6
73.02960	1.1
77.36132	0.4
79.95740	0.9
83.01376	1.4
85.02956	1.8
87.00889	1.0
87.07241	0.5
89.02432	1.3
91.01907	0.6
93.03476	1.8
96.96019	5.8
98.02493	0.7
99.04530	0.8
101.02468	1.2
107.01397	1.6
109.02953	0.7
113.02463	0.6
119.03514	0.6
121.02931	1.1
123.04536	1.7
133.02951	3.7
134.03712	1.4
135.04489	1.2
137.02448	0.8
143.05042	3.1
146.03696	0.6
147.04541	0.7
149.02440	1.2
151.00385	3.8
151.03976	0.6
154.87187	0.5
161.02463	1.7
173.04587	2.2
175.03981	2.0
177.01880	0.7
179.03520	1.1
191.05630	6.9
193.05040	1.2
195.04582	0.7
199.04008	1.4
201.01970	0.6
203.03513	0.6
211.03955	0.6
217.05101	1.1
227.03525	1.0
233.04434	0.6
241.05081	1.1
243.03033	1.1
250.06345	2.4
251.07120	1.0
255.03003	4.8
256.03714	2.5
257.04483	0.7
265.08643	1.2
267.10181	0.6
283.02423	4.5
284.03284	41.1
285.04056	100.0
286.04416	5.7
289.03928	1.0
322.04889	0.6
327.05246	0.9
337.07172	9.3
338.07669	0.7
341.13361	0.6
429.07562	0.6
435.36874	0.5
447.09351	29.4
448.09677	2.0
460.69983	0.5
489.10422	50.1
490.10831	4.2
529.13513	20.0
530.13947	1.7
531.11609	1.1
547.18292	2.2
547.26068	1.0
591.13202	10.2
591.29083	2.5
592.13678	0.7
592.30756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	35.0
59.01386	100.0
69.03463	8.9
71.01391	92.2
71.54393	4.5
72.56535	3.3
72.99329	5.1
73.02970	17.3
76.01063	3.1
79.95757	3.3
83.01385	9.6
83.81608	3.0
85.02953	27.5
87.00900	8.4
89.02461	77.0
93.03489	21.8
95.01451	5.8
96.96033	37.5
97.02986	5.1
99.00875	5.8
99.64181	3.3
101.02462	61.7
109.06569	4.6
113.02455	39.6
119.03522	41.0
121.02966	8.3
125.02476	37.6
131.03526	11.2
133.02986	7.5
134.03777	29.7
135.04547	5.7
137.02463	28.7
137.09752	7.2
143.03516	13.9
149.04593	3.6
149.06082	10.4
161.02454	8.7
161.04568	20.4
173.04514	20.7
178.02771	21.3
179.03481	9.6
179.05597	29.5
191.05630	50.6
192.11574	15.2
193.05089	28.3
207.13928	58.7
221.06674	32.2
241.00293	8.9
255.03152	4.4
263.07730	10.6
281.06741	19.9
282.31866	4.4
285.04056	7.8
289.03741	4.9
323.09851	89.0
324.10248	4.5
337.07355	5.4
429.11700	8.6
432.22272	5.6
475.12585	52.5
476.12747	8.0
487.21823	13.5
511.05582	8.4
531.24792	6.8
591.30853	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	591.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68650	22.6
59.49725	19.8
66.33871	18.4
69.16505	100.0
69.16931	96.5
78.95905	23.6
79.22136	22.4
98.20710	28.8
100.76879	20.9
152.99577	27.5
192.38690	20.3
239.65953	21.7
276.22339	21.4
341.30383	36.6
427.68713	19.8
476.48569	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	591.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53441	11.9
55.52803	15.2
60.35928	14.7
63.78979	12.6
98.20290	100.0
106.62601	12.9
109.44976	13.2
215.61005	13.4
481.86337	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	591.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04285	24.1
55.64980	24.8
68.87357	26.5
70.09155	100.0
74.93816	23.2
77.16114	24.7
81.40689	22.5
81.60387	26.8
91.63175	30.6
116.16475	27.5
128.34239	25.6
136.22075	24.6
148.55318	26.1
220.53429	28.8
255.23262	55.3
284.24457	33.0
553.37958	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.293
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95919	1.0
79.95741	2.8
89.28970	0.1
89.98013	0.1
96.96023	100.0
142.24994	0.1
225.83647	0.1
229.72324	0.1
232.39809	0.1
245.08159	0.1
253.80380	0.1
287.77499	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	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.3
61.98824	0.3
67.55522	0.2
69.63731	0.2
70.08376	0.6
71.01388	0.2
76.03189	0.2
77.03983	0.5
79.95745	0.4
80.96522	1.6
86.39156	0.2
91.01894	0.4
93.03484	0.7
96.96027	0.6
120.02183	0.6
121.02969	100.0
122.03313	2.0
125.02475	0.3
136.01653	0.3
151.64095	0.2
152.38783	0.2
164.98663	0.4
165.01956	4.5
180.05809	0.6
181.05098	0.4
181.06595	2.6
191.05629	0.5
197.06114	1.8
207.04547	0.5
207.08189	0.3
209.04564	57.1
210.04906	1.6
223.04071	0.3
225.00812	0.6
225.05627	1.9
251.07098	0.3
257.09741	0.4
285.04147	0.2
290.62088	0.2
296.32681	0.2
301.08777	0.4
313.07196	2.0
316.72430	0.2
357.06418	0.9
357.10336	0.2
373.10846	0.2
383.07654	1.0
384.07791	0.2
389.10046	0.2
401.08643	0.3
417.09891	1.0
502.85379	0.2
505.11487	3.1
549.01776	0.2
549.10419	6.9
550.10931	0.8
593.13031	11.4
593.26129	2.7
594.13422	1.3
594.25952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
59.01390	0.3
63.02404	0.9
65.00345	0.7
66.26454	0.2
69.16827	0.8
69.17247	1.1
73.01356	0.2
74.13991	0.2
76.84765	0.2
83.01403	0.4
85.02966	0.3
93.03474	0.5
105.03481	0.3
107.01404	1.6
107.72844	0.2
109.02983	0.8
113.39297	0.2
121.02977	0.6
133.02969	4.0
134.03728	0.4
135.04544	0.5
145.03061	0.2
147.04547	0.2
149.02454	1.5
149.06140	0.4
151.00386	3.5
164.25206	0.2
171.04553	0.6
173.04605	0.3
175.04024	1.9
177.01988	0.3
185.06097	0.5
185.45042	0.2
187.04033	0.3
189.05589	0.4
191.05681	1.2
197.06087	0.4
198.03195	0.2
199.04050	2.0
200.04550	0.2
201.01895	0.4
207.06593	0.2
211.04088	0.5
212.04698	0.3
213.05574	0.6
215.03523	0.3
217.05057	1.0
226.06320	1.0
227.03488	0.6
231.06369	0.2
239.03680	0.2
241.05061	0.8
241.08667	0.7
243.02946	0.6
253.09232	0.2
255.03110	0.3
256.03836	1.2
257.04626	0.5
267.02933	0.3
269.04465	0.2
281.06747	0.3
283.02563	0.2
284.03290	14.8
285.04062	100.0
286.04388	6.0
327.05130	0.6
447.09189	0.3
593.15149	54.0
594.15491	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	593.152
Annotation	Kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
59.01388	1.1
60.57421	0.3
61.43822	0.2
61.98848	0.3
63.02384	0.3
63.23681	0.2
65.00339	0.7
70.75191	0.2
70.91132	0.4
71.01382	0.9
73.02982	0.4
74.99100	0.2
78.95918	0.7
79.95741	0.8
83.01398	0.4
85.02961	1.1
87.00880	0.2
93.03464	1.2
96.96021	19.9
96.96915	1.1
103.86491	0.2
107.01402	2.1
111.04511	0.4
121.02939	0.5
133.02960	8.1
137.02441	0.3
139.04013	0.2
139.87033	0.2
147.46667	0.2
149.02480	1.3
149.70331	0.2
151.00388	4.6
151.03865	0.3
151.74416	0.2
157.08720	0.4
161.04610	0.2
167.03511	0.2
169.06514	0.2
171.04524	0.5
173.03110	0.2
173.04553	1.2
175.03990	2.8
185.06046	0.3
187.09752	0.3
191.05644	5.5
193.05077	0.3
198.03325	0.3
199.04039	2.3
201.01996	0.7
211.04163	0.3
212.04871	0.2
213.05577	0.6
215.03485	0.4
217.05159	1.2
223.03984	0.3
226.02820	0.3
241.05022	0.7
241.08781	0.3
243.03079	0.5
255.03012	0.4
256.03671	0.3
257.04556	0.4
258.97083	0.2
267.02924	0.4
268.03687	0.3
269.04446	0.5
273.07672	0.2
284.03281	5.2
285.04068	100.0
286.04416	5.4
299.05615	5.5
299.08777	0.4
300.05951	0.3
327.05267	0.2
377.93924	0.2
413.12415	0.6
593.15179	3.4
593.31042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
58.99039	0.2
59.01383	2.5
69.51069	1.3
70.18021	0.3
70.77611	0.3
71.01392	3.0
73.02933	0.9
77.71620	0.3
77.96497	0.3
83.01387	0.7
85.02951	1.4
89.02452	0.7
91.04008	0.5
93.03426	0.4
96.96011	0.3
98.20675	0.3
99.00871	0.5
101.02462	2.4
112.75661	0.2
113.02436	1.0
119.03492	0.4
146.03725	0.4
159.04501	0.6
161.04575	1.3
173.04549	0.4
191.05629	0.5
197.06113	0.4
225.05553	1.1
226.06367	69.5
227.06721	3.4
238.06270	0.3
241.08722	100.0
242.09047	5.0
251.07088	1.3
252.07898	0.5
253.09244	2.7
267.10190	0.4
279.06873	0.5
280.07452	1.1
295.09747	2.3
329.35892	0.3
339.08829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.4
59.01119	2.0
59.01385	35.8
61.98823	6.0
67.01870	3.2
70.50573	5.3
71.01390	13.8
72.99307	5.6
73.02943	6.1
73.52001	1.8
75.00884	3.7
75.79569	1.9
78.95917	3.9
79.95729	3.6
83.01389	4.3
85.02959	10.5
87.00871	6.8
89.02444	3.1
93.03480	20.5
95.01369	2.3
96.96027	100.0
96.96990	5.7
97.02972	2.4
98.20613	2.1
99.00923	2.4
101.02443	6.1
107.01395	2.2
108.02211	1.8
109.02928	3.9
110.31493	1.6
111.04562	3.2
113.02441	7.1
122.03730	2.2
125.02417	4.7
127.04060	1.9
133.02928	5.1
134.03735	1.7
135.04558	2.9
137.02443	4.6
145.03023	1.8
149.02477	3.1
151.00441	2.2
152.01189	2.2
159.04504	2.0
161.02472	8.8
161.04633	2.2
161.06088	1.9
167.03564	2.4
173.04579	26.5
174.03218	2.5
175.04010	3.6
177.09247	9.6
179.03532	2.2
187.03993	6.3
187.07639	2.0
191.05629	62.7
191.07132	2.3
192.05855	2.3
199.03981	4.3
201.01857	2.6
201.05669	2.2
202.06400	4.2
203.03510	2.2
205.08693	5.5
215.07176	4.4
216.07738	3.3
227.03590	2.7
227.07091	2.0
227.10735	1.9
229.08592	2.3
231.10156	3.1
241.08740	3.1
243.10017	2.5
243.14021	2.1
247.04553	2.5
249.06203	2.9
255.14082	2.2
259.09625	2.5
269.04501	1.9
271.13446	5.9
273.11328	3.8
284.03238	11.4
285.04022	54.6
285.07147	3.3
286.04425	8.7
287.04691	4.8
289.07028	2.2
299.05643	4.8
299.12845	4.9
301.10681	2.3
317.07947	2.0
317.13910	20.2
343.11807	7.7
345.13428	27.6
413.12372	5.0
473.23996	2.6
491.10626	5.8
491.25073	7.5
521.29810	2.5
531.13849	3.0
549.28845	2.6
575.17407	3.3
575.30884	2.9
593.15015	27.6
593.31525	21.9
594.14740	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	593.2631
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
54.20246	1.1
59.01377	2.6
61.98826	4.5
69.03458	1.1
71.01396	8.0
74.99104	1.4
76.15847	1.0
78.15602	1.1
78.95895	3.1
78.98587	6.5
79.95741	10.0
80.96526	58.2
85.02946	2.8
87.00883	4.9
93.03469	2.4
94.98096	14.1
96.96009	2.5
97.02928	2.1
101.02444	2.4
106.98100	2.8
121.02945	6.7
122.97584	1.8
125.02451	2.3
133.84520	1.0
134.97571	3.4
136.99158	2.7
148.99138	4.1
152.98642	5.2
164.98604	9.8
171.10304	1.1
191.05649	4.2
206.99677	1.5
209.04607	3.3
209.11829	1.7
225.00789	12.1
285.03903	1.3
293.21109	1.8
295.22934	1.8
299.04367	2.6
593.26440	100.0
594.26709	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2644
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01373	1.6
61.98836	16.2
63.96228	0.9
69.03458	1.0
70.91510	1.3
71.01395	5.0
71.53311	0.5
73.02952	1.3
78.98600	3.8
79.95746	28.1
80.96525	46.9
81.03462	1.0
85.02924	2.5
87.00880	2.5
93.03471	1.7
94.98097	11.4
95.01376	0.6
96.96000	2.2
97.02954	1.8
99.00941	0.6
101.02464	1.3
106.98081	1.9
113.02463	0.6
121.02959	4.8
122.97580	2.7
125.02439	2.2
127.04029	0.9
134.97585	3.8
135.64539	0.5
136.99132	1.5
137.02455	1.0
148.99188	4.7
149.02347	0.5
150.41862	0.5
152.98674	4.4
161.04547	1.4
164.98640	8.8
165.01935	3.7
173.04579	1.4
182.99695	0.5
191.05626	3.6
206.99670	2.1
209.11865	1.1
225.00748	12.1
235.08006	0.5
241.00288	2.4
285.04016	1.2
293.21375	0.6
299.04446	2.3
300.02872	0.6
315.04135	0.6
371.06503	2.3
385.08145	1.8
399.09680	1.5
413.11533	1.0
428.89343	0.6
441.14157	0.7
455.15872	1.9
495.18958	2.1
523.18597	1.2
524.19159	1.2
593.26367	100.0
594.26776	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	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45890	0.7
59.01382	1.3
69.21585	0.7
69.73808	3.3
69.98741	0.7
72.02221	0.7
74.34186	0.7
78.95911	70.3
94.06802	0.8
96.96975	13.4
102.66015	0.9
105.18166	0.7
123.75996	0.8
136.65779	0.7
150.97992	1.1
152.99599	100.0
153.99976	1.4
171.00644	3.3
203.13370	0.7
223.00113	10.2
241.01205	23.1
241.03604	1.5
259.02228	1.1
277.21744	48.3
278.22006	1.8
305.16751	0.8
315.04935	17.2
316.05087	1.1
319.59836	0.7
471.79428	0.8
593.27344	82.4
594.27466	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.0
61.98830	4.2
65.62562	0.7
70.76366	2.1
78.65212	0.7
78.95909	65.1
90.47121	0.7
93.20797	0.8
94.66128	0.7
96.96963	15.3
98.95607	0.9
104.36969	0.7
121.02980	1.9
152.99593	58.7
153.99965	1.2
163.11365	0.9
171.00545	1.1
182.43475	0.8
189.45920	0.7
197.11780	1.0
209.04514	1.1
209.11792	4.0
223.00107	1.2
225.11340	1.4
241.01204	29.2
242.01578	0.9
259.02139	1.0
277.21747	48.0
278.22104	2.6
284.03247	1.1
285.04004	1.7
306.52353	0.9
309.20816	1.0
315.04840	9.7
413.20898	5.5
431.22311	1.4
589.01178	0.8
593.27362	100.0
594.27710	9.6
614.02710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98503	0.5
72.79404	0.5
78.95913	65.3
88.60748	0.8
96.96026	1.5
96.96978	11.5
98.20679	1.0
116.62198	0.6
150.98042	1.7
152.99606	100.0
153.99945	1.5
171.00644	3.0
184.78275	0.6
190.82736	0.6
223.00142	10.2
241.01231	25.5
259.02209	1.3
277.21744	44.6
278.22055	2.9
315.04892	14.8
333.06006	1.6
593.27386	87.0
594.27747	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	593.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.5
57.03463	3.9
59.01386	33.4
61.98862	2.5
67.01873	2.4
69.50092	12.4
71.01387	44.0
71.57526	1.7
72.07088	1.6
72.99321	4.6
73.02955	11.2
75.00865	3.3
79.95737	4.0
83.01395	5.2
85.02959	27.3
87.00888	7.7
89.02442	17.7
93.03479	15.9
95.01357	3.7
96.96019	100.0
97.02942	2.1
99.00869	4.3
99.04517	2.8
101.02449	39.0
103.73264	1.6
107.01379	2.2
109.02933	4.2
111.04564	2.5
113.02463	20.6
119.03538	10.5
121.03014	4.1
125.02455	6.3
127.04053	2.8
129.01964	3.1
133.02948	4.0
135.04559	2.7
143.03519	5.5
145.05168	2.0
151.00359	3.0
151.03983	4.1
152.01158	2.2
155.03574	2.7
161.02528	2.7
161.04608	14.7
165.12831	5.2
167.03499	2.5
171.03053	1.7
173.04564	24.7
173.05974	1.7
179.05630	12.3
187.04036	2.8
191.05626	88.5
191.14435	6.1
192.05928	3.7
193.04961	2.2
201.09215	5.7
209.04553	3.1
209.15544	2.9
218.10773	2.3
221.06624	4.8
229.08562	3.3
241.00299	2.8
249.05928	2.6
272.53943	1.8
284.03247	12.3
285.04092	56.2
286.04553	2.8
299.05762	3.9
321.08176	3.1
323.09885	10.5
324.87189	2.1
343.15619	3.9
345.13458	3.1
355.44739	1.9
369.13309	3.7
371.20599	9.0
395.11346	6.4
447.09396	2.3
513.06952	4.1
533.26068	63.0
534.26215	7.2
557.16943	8.9
561.19507	4.4
575.18054	2.7
593.15155	32.0
593.30530	5.2
594.15021	5.2
594.26202	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	593.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
59.01383	1.8
62.49755	1.0
64.70494	1.0
68.99804	0.9
69.03469	9.3
69.18436	1.1
71.01372	1.7
71.05032	2.3
71.13850	2.4
77.27726	1.3
78.95900	6.0
81.03484	1.3
81.60754	1.1
96.96026	1.1
96.96961	1.8
97.06618	2.2
103.94949	1.1
111.08250	1.4
113.09727	1.8
123.08176	2.3
125.09742	4.3
151.11292	6.1
152.99559	7.3
161.09743	9.6
179.10771	28.3
180.11192	1.7
195.13895	10.5
197.11848	81.9
198.12170	3.3
209.04536	1.8
223.09779	3.0
241.10861	13.5
260.76221	1.0
277.21713	9.7
279.23193	1.6
280.23679	2.0
285.03961	1.8
285.74112	1.1
295.22821	48.7
296.23215	2.5
297.13449	6.1
315.14554	13.6
463.42191	1.1
550.39618	1.1
593.36987	100.0
594.37238	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	593.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54096	31.4
57.27207	34.7
58.61069	32.8
59.01381	51.8
62.08086	31.6
70.59747	100.0
78.95934	38.8
112.00318	30.5
121.02994	53.4
279.23352	64.4
315.88727	37.9
473.51456	40.4
517.24908	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.383
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60064	21.9
69.25103	28.3
70.03360	100.0
77.07702	22.3
91.38721	22.6
98.20350	63.0
121.03023	25.4
467.52518	24.6
561.12268	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99026	26.5
69.42255	100.0
69.42682	95.7
80.38788	27.0
91.16985	28.6
112.82230	29.9
115.05756	26.6
120.61213	26.5
184.20709	27.9
191.15761	26.0
194.99521	36.0
272.84534	32.7
340.69611	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70846	0.4
57.63254	0.4
62.29895	0.4
63.22962	0.4
69.32076	2.8
69.32493	0.7
79.95746	21.2
80.96538	0.9
86.23488	0.4
87.72443	0.4
93.03455	0.4
95.95244	8.2
96.96023	93.1
98.19949	0.8
101.02451	0.4
103.58337	0.4
110.97601	6.9
115.00372	0.5
123.00945	0.8
136.99132	0.5
138.03290	0.4
141.95827	1.1
149.06056	0.4
152.01089	0.5
162.77493	0.4
167.00174	2.1
167.03560	0.4
177.01915	0.9
184.63670	0.4
185.54539	0.4
191.05641	1.3
226.06342	1.0
227.06671	1.0
241.08653	1.9
242.08980	1.1
289.03961	1.3
297.03726	2.3
297.53723	0.5
306.52283	0.4
429.08548	0.6
485.07687	4.3
500.09940	5.0
515.12323	100.0
516.12610	9.8
606.34979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2794
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
54.82319	0.5
57.03451	0.8
59.01369	1.1
61.98836	0.9
63.96239	1.4
65.00295	1.1
69.03471	0.9
71.01396	7.3
71.08885	1.0
71.09213	1.1
71.36189	0.6
73.02949	1.4
78.98598	5.9
79.95299	0.7
79.95747	8.3
80.96524	64.3
83.01377	0.9
85.02951	3.7
87.00884	3.0
93.03440	0.6
94.98092	13.4
96.96011	1.3
97.02950	1.2
99.00962	0.7
101.02431	2.5
102.05605	1.9
106.98093	3.0
107.01391	1.0
113.02438	0.9
121.02988	1.1
122.03253	0.6
122.97565	2.5
125.02473	4.9
127.04041	0.9
128.03526	2.2
134.97603	4.3
136.06386	0.7
136.99103	1.2
148.99168	4.8
151.00381	3.8
152.98625	5.3
164.98625	10.7
167.14430	0.9
173.04523	1.1
190.23109	0.6
191.05602	1.6
206.99657	2.2
209.11850	1.8
225.00761	12.8
229.14415	0.8
284.03299	1.2
295.22824	1.7
296.23126	1.0
299.04453	2.6
308.03299	1.0
354.03903	1.0
358.18692	0.7
360.02869	0.6
379.11746	4.2
469.22000	1.5
595.27734	100.0
596.28131	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	595.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15250	0.7
56.35128	0.6
56.42960	0.7
61.98818	0.6
62.56636	0.6
63.77327	0.6
66.44067	0.6
69.31934	1.4
69.32343	4.1
78.95911	71.3
80.91711	1.3
86.26832	0.6
96.03632	0.7
96.96962	12.4
125.48956	0.6
136.86406	0.6
148.94992	0.7
150.98038	1.0
152.99602	100.0
153.99951	1.2
158.42554	0.7
171.00676	2.1
209.11806	0.8
223.00121	10.0
241.01212	24.8
275.06503	0.7
279.23309	59.1
280.23679	4.4
315.04892	17.0
333.05893	1.5
579.41455	0.8
595.28918	86.3
596.29224	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	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.84926	0.6
52.14940	0.6
56.26857	0.6
58.55420	0.6
61.78438	0.7
69.33807	4.9
69.34225	1.3
74.72408	0.8
78.95909	67.5
96.96974	14.7
97.47184	0.7
98.20122	2.9
124.01279	0.7
146.08754	0.6
150.98016	1.1
152.99596	100.0
153.99925	0.9
171.00638	2.9
223.00145	11.5
240.43811	0.7
241.01199	27.7
254.50748	0.7
259.02298	2.0
279.23303	62.6
280.23685	4.2
299.63870	0.6
315.04898	17.9
333.05869	1.0
344.12698	0.6
358.85141	0.7
374.89523	0.7
545.81433	0.7
595.28925	85.7
596.29181	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	597.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65317	1.9
57.03454	4.2
58.07748	2.2
59.01382	13.5
62.41747	1.8
71.01383	14.4
71.54156	3.3
73.02947	9.6
79.95788	2.7
81.01197	2.0
83.01417	2.8
83.71780	1.8
85.02956	4.1
87.00890	24.8
89.02464	5.3
93.03448	13.9
96.96023	35.9
98.95604	3.6
99.00868	3.4
100.01687	3.9
101.02473	6.0
108.02193	7.3
109.02955	13.4
111.00881	15.7
112.98827	2.5
113.02452	3.3
121.02996	6.4
122.03760	10.2
123.00880	7.5
129.02023	2.1
132.03053	3.7
133.02954	2.6
135.03017	2.5
135.04509	3.2
136.01666	3.6
137.02460	7.7
138.68727	2.2
149.02464	27.8
150.03236	82.8
151.00391	5.5
151.03937	8.0
152.01143	15.7
153.01944	18.8
153.05525	3.4
161.02470	5.6
163.04024	4.2
164.04820	9.4
165.05589	100.0
166.02777	13.5
166.05908	3.4
167.03621	2.1
173.00873	7.7
174.01765	2.4
175.04005	4.1
175.07669	2.8
176.04872	2.5
177.01990	5.1
179.03508	9.3
179.05716	2.8
179.07140	9.3
180.04282	7.4
181.05051	20.2
189.05757	2.5
191.03683	3.0
191.05589	16.0
191.07079	4.1
194.05815	7.3
195.06624	47.7
205.05089	3.9
206.05843	5.0
207.06598	3.7
209.08199	8.2
221.08231	7.6
234.05432	3.3
241.00279	7.7
247.02583	3.7
261.04041	3.7
262.04779	6.4
264.06488	5.2
271.06168	5.3
276.06287	2.6
277.07129	11.4
286.08459	4.7
301.10901	12.4
327.08786	3.7
327.12399	5.0
337.09290	39.5
338.81781	2.2
339.08884	2.9
353.56650	2.6
357.13489	3.7
369.13419	9.5
399.14288	4.9
404.76187	2.3
405.15259	5.5
413.12561	6.7
417.15591	9.0
435.09070	10.6
461.08578	3.8
461.14587	32.5
473.14386	3.1
491.15143	2.8
515.12616	4.2
517.12512	6.5
531.15234	2.9
533.16736	10.0
563.39923	2.6
579.08875	3.4
579.17194	17.5
597.18622	71.7
598.18561	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	597.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20777	1.1
59.01386	59.2
69.29211	6.6
71.01387	3.3
72.97539	1.4
85.02984	1.4
87.00887	3.3
89.02467	4.1
93.03463	3.2
96.96021	4.6
101.02474	3.0
111.00926	1.2
113.02441	2.1
119.03504	1.0
121.02971	8.5
122.03733	4.5
123.00797	1.0
136.07726	2.2
143.03503	1.2
145.63686	0.9
146.03770	10.0
147.04457	1.0
149.02455	41.7
150.03244	43.5
150.90219	0.9
151.03636	1.5
157.54808	1.1
161.06046	2.3
164.04813	19.3
165.05583	61.1
166.02745	3.0
166.05984	1.4
173.04610	2.0
179.03505	1.6
179.07153	16.7
180.04303	3.1
180.07458	1.3
181.05096	3.6
191.05699	6.5
195.06633	54.1
196.06895	1.9
208.49319	1.3
209.04565	3.7
283.09824	1.2
312.06519	1.5
312.10086	23.1
313.10580	1.7
323.09464	1.5
327.12384	100.0
328.12732	7.4
337.09375	6.0
375.14520	26.8
376.14816	1.2
387.14401	2.2
399.14523	6.0
405.15695	1.9
412.27869	1.1
417.15836	2.0
461.14740	3.7
579.17566	1.8
597.18024	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	597.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81491	0.9
53.13184	0.9
57.03452	2.9
58.00604	2.0
59.01386	48.3
61.98833	4.1
69.47781	2.0
69.48190	5.0
71.01388	33.3
72.99316	3.0
73.02972	1.5
77.18158	1.1
78.95936	1.3
83.01389	2.7
85.02959	7.9
87.00886	3.4
89.02454	35.0
93.03478	6.6
95.01421	3.1
96.96016	11.3
101.02452	15.6
103.04005	1.1
106.02670	1.0
108.02144	1.0
111.04576	0.9
113.02467	14.2
119.03519	14.0
121.02975	21.9
123.00928	1.5
124.01691	2.8
125.02504	1.6
133.01442	1.9
134.03836	1.4
135.04539	2.7
137.02428	2.0
139.04033	3.8
143.03528	2.3
149.02499	1.2
149.04608	1.4
151.00391	3.8
151.03990	1.6
159.04517	1.8
161.02545	1.4
161.04652	1.1
162.03172	1.0
165.05556	2.3
166.02727	10.7
167.03513	2.3
168.03969	1.0
173.04533	3.8
173.05934	1.4
174.03174	1.6
175.04048	1.9
177.05557	1.1
179.03482	1.2
179.05655	2.5
181.05090	12.2
187.04051	5.7
191.05637	21.1
193.05048	1.8
199.04013	1.9
202.06464	1.1
203.03577	2.7
205.08771	1.2
207.06390	1.1
209.04565	19.4
209.07941	1.2
217.05093	2.4
227.03534	4.0
227.06972	1.4
232.07417	1.7
233.08142	2.2
242.05872	8.1
242.08965	1.4
243.09422	1.2
253.09383	1.2
257.08209	13.5
262.85535	1.1
265.05206	1.3
293.04395	2.3
307.05969	2.0
308.06943	2.6
311.05759	1.3
323.09244	5.6
324.09882	1.4
326.08023	1.4
337.10870	2.1
338.11554	2.5
339.08469	2.6
340.09521	2.1
341.10052	1.2
343.11993	2.8
353.10257	3.0
354.07324	1.2
369.09775	10.0
369.13632	3.9
372.11548	1.3
383.11487	2.0
384.12173	8.6
387.14673	5.8
399.14502	100.0
400.14728	7.9
523.18146	1.8
620.59784	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	597.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98822	1.5
62.36101	0.3
65.28630	0.3
65.39233	0.3
67.01881	0.3
71.01397	0.9
71.01888	0.7
81.03002	0.6
81.03465	10.0
83.05033	32.3
84.05362	0.5
85.02956	0.6
87.00840	0.5
89.02446	0.6
89.24829	0.3
89.33882	0.3
93.03469	2.9
96.96020	2.4
100.07691	4.6
101.02474	0.4
108.04586	0.4
111.04537	0.5
120.99615	0.3
125.07215	0.5
126.05622	0.8
127.04030	0.6
133.02982	0.5
135.04543	0.9
152.01091	0.4
161.02477	2.2
167.03517	1.2
173.04581	3.2
174.05020	0.4
179.03545	0.7
191.05635	7.0
191.07195	0.3
192.04344	0.6
192.05983	1.0
199.04033	0.5
199.18193	7.3
207.14928	0.4
213.95801	0.4
225.14067	0.3
225.16083	7.6
227.03577	0.4
243.17154	18.1
265.07095	1.3
269.15179	1.0
270.05371	0.5
270.15530	0.4
271.06076	0.6
285.04095	0.4
285.07751	1.6
300.10043	0.9
301.10681	1.0
309.21979	0.7
309.96097	0.4
331.11832	1.3
353.20850	6.6
354.20981	0.4
433.31992	0.5
451.32794	1.9
469.34003	13.7
470.34338	1.4
495.31940	0.7
579.37585	2.8
597.38727	100.0
598.38965	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	599.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
62.08269	0.2
64.98182	0.2
65.68163	0.2
69.24193	1.9
71.01390	0.8
79.95746	6.9
85.02961	0.4
89.02478	0.5
93.03467	0.7
96.96020	100.0
101.02472	0.4
110.97569	0.5
113.02451	0.3
116.92860	0.3
119.03499	0.2
129.03815	0.5
135.04532	0.6
136.01703	0.2
137.02451	0.8
151.04047	0.3
161.02521	0.6
167.03503	0.2
173.04573	0.8
179.03481	0.6
191.05617	3.9
191.07196	0.4
353.08771	0.6
421.09656	4.2
486.13498	0.2
499.46692	0.2
599.14404	43.3
600.14655	4.5
609.74445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55066	1.7
62.79359	1.8
62.97676	1.6
67.49313	2.2
68.42386	1.5
71.28148	3.5
71.66491	1.7
72.00906	2.4
74.02479	6.8
82.02969	5.3
84.04548	8.0
101.07156	2.5
126.09245	2.7
127.05133	6.7
128.03549	58.5
138.09297	1.5
169.13448	7.1
195.11389	13.7
213.12462	100.0
214.12866	3.1
257.11469	36.0
385.98389	1.8
580.21448	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	600.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
71.26500	8.3
81.65419	4.5
94.37625	3.6
94.73558	3.9
102.45407	4.1
120.53716	3.5
129.66768	4.6
161.60350	4.0
279.23282	4.9
302.00003	4.0
316.33585	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	601.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72877	0.9
59.01386	100.0
59.95266	0.7
60.01722	0.8
66.95378	0.7
69.57993	5.1
72.21144	0.8
77.97613	0.7
90.97191	0.7
115.02538	7.8
117.00467	5.8
129.09286	0.7
132.98192	1.8
132.99080	1.0
143.86014	0.8
149.28204	0.7
156.99919	1.0
157.03600	2.6
159.01512	71.6
160.01616	4.0
174.99272	18.0
176.98132	28.6
177.98114	1.4
201.02574	21.5
202.02629	1.6
217.00316	54.4
218.00612	1.7
231.09312	0.9
259.01617	2.5
274.99509	4.2
290.97202	1.0
301.02695	55.3
301.99771	1.1
302.02914	6.6
317.00458	38.1
318.00653	2.7
332.98291	1.6
359.01486	20.4
360.01541	1.2
374.99353	1.6
375.47375	0.8
412.13373	0.9
428.03894	0.8
441.00357	0.9
459.01489	11.0
460.01904	1.1
498.99664	1.1
518.95831	1.0
541.00653	36.3
542.00824	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	601.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17279	0.4
56.64874	0.4
59.01371	1.3
60.99293	0.5
61.98840	0.7
67.01893	1.6
69.50356	0.5
71.01388	1.5
71.53471	0.7
79.95743	3.8
80.15051	0.4
83.05020	0.7
85.02953	5.6
86.80744	0.4
87.00875	2.4
91.48508	0.4
93.03470	10.0
93.99491	0.4
95.05989	0.4
95.95231	1.1
96.02335	0.4
96.96024	11.8
109.03010	0.5
110.97551	0.5
111.04507	1.6
112.88004	0.4
113.02467	0.5
116.07177	0.9
127.04031	1.1
133.02942	1.3
135.04544	6.8
137.02419	0.7
150.03281	0.4
151.04056	0.7
161.02452	4.3
165.05516	0.4
173.04541	4.1
179.03525	5.9
180.04115	0.5
191.05624	100.0
192.06075	2.4
195.06660	0.6
282.37930	0.4
353.08768	13.8
365.08829	0.5
385.96088	0.4
439.11197	0.5
557.15155	8.1
558.14612	0.6
601.15826	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	601.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81817	0.8
56.82583	0.8
59.01376	2.7
61.98822	2.0
67.01881	1.0
69.81873	0.9
71.01376	1.8
71.53770	1.4
79.95749	4.6
82.95415	1.1
84.49829	0.9
85.02963	9.5
87.00880	2.9
89.02477	0.8
93.03477	8.0
96.96025	20.8
101.02444	0.9
103.03993	1.7
109.02946	1.3
127.04039	2.7
132.02151	1.4
133.02988	5.6
135.04555	7.3
137.02441	2.2
155.03452	1.0
160.01669	3.1
161.02461	39.7
162.02843	1.2
173.04550	7.0
175.04012	1.1
179.03514	7.0
191.05635	100.0
192.05954	2.3
277.09290	1.6
335.07806	6.6
353.08899	3.5
365.08774	31.7
366.09201	1.4
383.09848	1.2
439.11438	1.2
497.13144	1.0
557.15234	10.4
558.15778	1.4
601.15973	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	601.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
60.06255	0.6
61.98834	5.1
70.83777	1.2
71.01387	0.9
79.95747	31.5
80.96574	0.6
85.02950	1.6
87.66264	0.6
93.03468	0.9
93.89133	0.6
95.95242	11.8
96.96021	100.0
110.97565	3.4
115.18086	0.7
122.70544	0.6
132.30011	0.7
133.02925	1.2
137.02487	1.0
141.95758	1.3
146.03746	1.9
149.02492	0.8
149.99962	1.4
150.03220	2.8
151.04041	0.9
151.97780	0.7
161.02460	0.6
163.03972	1.1
164.04776	2.4
165.05592	3.5
173.04527	1.4
179.07123	3.6
191.05602	6.1
193.05064	0.9
195.06612	3.5
256.42346	0.7
271.02579	0.8
357.12946	0.8
373.12595	1.1
409.09720	1.9
423.07321	1.9
437.09048	2.5
438.09735	1.6
439.10748	6.9
601.15979	89.2
602.16315	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	601.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
61.98827	1.0
70.62617	0.4
70.98798	1.2
71.01383	0.5
79.95747	48.8
80.96522	0.5
85.02954	0.5
93.03453	0.6
95.95244	14.8
96.96022	90.5
105.57695	0.5
108.02154	0.6
109.02959	0.5
109.96815	0.5
110.97588	5.9
135.04568	0.6
136.01685	2.0
137.02464	2.3
141.95810	2.9
149.99962	2.0
150.03351	0.6
151.04008	2.9
161.06026	0.5
177.05582	1.0
191.05682	2.4
193.05014	0.5
195.06563	0.5
242.89168	0.4
254.28612	0.5
259.02847	1.5
262.49094	0.4
287.91519	0.5
315.05637	0.5
329.13892	0.6
343.11865	1.5
371.15118	0.7
383.74008	0.4
409.09555	2.5
423.07388	2.3
424.08276	1.3
437.09177	3.5
438.09982	1.8
439.10666	12.3
440.11316	0.9
447.41754	0.4
481.12140	0.6
517.12341	0.5
601.16010	100.0
602.16278	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	601.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.9
59.01381	0.6
61.98829	0.6
62.03580	0.4
63.74188	0.4
69.03468	0.6
69.23436	3.9
70.87779	0.4
83.05041	0.5
83.97283	0.4
88.08210	0.4
90.24460	0.4
95.05045	1.5
97.06601	12.8
98.06981	0.5
98.19889	0.9
117.11038	0.4
123.08182	7.5
125.09741	100.0
126.10088	2.2
129.78943	0.4
139.15681	0.5
143.10762	1.2
167.78500	0.4
169.08739	1.8
170.47842	0.4
171.10274	0.5
187.09772	68.5
188.10175	2.4
191.05672	1.2
207.89488	0.4
225.11340	1.4
243.12369	3.0
261.13455	10.4
285.10474	0.4
388.87543	0.4
413.21957	1.1
430.78836	0.5
431.22873	26.9
432.23206	1.8
583.31366	1.1
601.32367	71.6
602.32678	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	602.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59168	1.9
61.98837	100.0
65.32073	1.8
70.75616	6.0
115.44957	2.0
144.19702	2.2
183.91563	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	603.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46659	1.1
59.01387	13.4
69.59669	3.2
69.60096	4.2
71.01384	3.2
79.45463	1.3
83.01372	1.6
85.02954	2.2
87.00902	1.6
93.03479	5.7
94.87106	1.2
96.96037	2.1
98.19845	1.2
112.10614	1.2
122.18533	1.2
140.18315	1.4
157.08702	4.1
161.02446	1.2
168.01628	1.2
171.04517	1.4
171.10234	2.2
173.04559	4.8
191.05630	20.2
209.11862	2.2
220.26460	1.2
227.03539	1.1
255.03004	97.9
256.03333	7.2
275.69748	1.1
283.02496	53.5
284.03195	8.8
285.04019	2.6
292.69388	1.3
313.03552	3.2
381.09830	100.0
382.10190	8.1
446.08575	96.1
447.08981	9.0
543.15326	2.6
559.31116	2.9
602.36108	1.7
603.36682	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	603.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23066	3.5
59.01386	16.4
59.19749	3.1
61.98822	9.8
63.29701	3.0
64.48735	3.0
71.01389	6.3
78.95878	4.0
85.02953	10.2
87.00871	14.0
93.03463	42.8
96.96004	13.8
101.02452	3.9
101.42553	3.1
111.04540	5.7
117.03451	4.3
119.05011	6.6
137.02469	3.7
139.12288	3.7
145.02995	7.0
151.39233	3.1
171.03160	3.6
171.10309	8.8
173.04585	31.4
173.05930	5.0
180.62643	3.2
191.05646	100.0
192.05986	4.0
205.36751	3.1
211.07570	4.9
255.02960	42.8
283.02417	28.4
284.03128	7.9
381.09836	10.5
411.18143	6.9
418.34457	3.5
446.08417	52.7
447.08853	5.5
470.12036	5.5
501.30035	3.4
545.20020	4.8
559.41766	3.5
603.15918	4.9
603.24298	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	603.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	25.4
61.98841	100.0
63.97903	15.7
67.44639	12.6
71.01401	13.6
79.13207	13.7
86.20392	12.6
93.03453	17.4
96.96018	97.4
98.35294	12.7
113.13078	14.3
124.79182	16.7
125.02447	15.1
126.90441	18.4
135.04491	15.2
137.11469	13.7
139.00352	21.2
163.03995	17.5
165.05534	30.7
173.51544	13.0
191.05661	90.0
195.06570	39.9
207.17838	15.9
209.08104	20.8
229.53503	14.4
243.74861	14.9
357.13553	18.2
532.80457	15.7
573.64972	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	603.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69851	4.3
58.04427	4.1
59.01386	30.7
60.63573	4.0
61.98832	11.6
67.01905	6.2
71.01385	11.3
71.54666	5.7
78.76603	4.2
83.01451	4.7
83.05026	5.0
85.02958	15.5
87.00868	8.7
89.02414	8.8
93.03470	42.7
94.84676	4.4
96.96024	7.5
101.02461	10.4
102.23712	4.0
111.04540	7.8
113.02470	4.6
135.04544	5.4
163.11264	5.3
171.10284	49.4
172.10623	5.8
173.04607	42.1
175.95358	4.1
185.11852	6.6
191.04016	6.9
191.05638	100.0
191.14496	4.0
192.05971	6.7
195.13974	5.5
209.11821	32.5
213.14984	23.5
233.06604	5.7
245.19156	10.0
253.09306	36.3
289.18124	68.7
290.18311	7.6
307.19183	69.3
341.29150	4.2
374.06097	5.7
479.17621	4.5
603.24261	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	603.303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67722	2.7
57.03437	2.7
59.01112	4.8
59.01384	61.2
61.98830	8.1
67.01898	4.1
71.01386	9.2
71.53938	3.4
75.00876	4.1
81.03463	4.8
83.01410	3.4
83.05031	3.4
85.02958	9.4
87.00874	9.4
89.02448	5.3
93.03471	28.3
96.96008	12.7
97.02966	4.3
97.06592	4.9
101.02424	7.1
109.02973	2.9
111.04530	5.9
113.02454	5.0
123.04502	3.4
125.09705	5.8
163.11240	9.5
165.12933	3.5
171.10277	17.4
173.04575	22.4
185.11803	6.4
191.05623	70.6
191.14394	7.8
207.10283	3.9
209.11836	100.0
225.11377	3.9
227.12924	8.0
235.07977	3.2
245.19113	11.3
253.09326	24.6
255.10210	3.1
263.19839	3.9
289.18112	70.7
290.18478	3.7
307.19183	58.0
308.19342	4.5
326.81265	2.9
470.11929	4.0
525.02527	2.9
570.12030	3.1
574.83490	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	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16711	1.7
59.72750	1.9
60.99316	9.9
68.05070	1.8
70.68435	3.4
70.68755	3.1
78.95906	13.2
87.00893	5.2
88.00415	13.0
88.98817	50.7
89.02453	100.0
96.96020	40.8
148.90974	3.9
152.99634	4.2
167.09113	1.8
171.10246	6.4
178.94258	3.3
194.93701	2.8
277.21664	3.6
343.01144	3.8
505.25867	3.1
603.19867	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	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
60.99311	4.4
63.74624	1.2
67.86209	1.2
69.38270	11.1
87.00886	4.4
87.12122	1.4
88.00406	9.9
88.98819	32.9
89.02457	100.0
96.62749	1.5
105.51619	1.4
123.36561	1.3
130.18839	1.7
148.90999	1.7
277.21814	4.0
324.98013	1.5
344.59338	1.4
364.28943	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	603.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.0
59.01385	36.5
59.33180	1.3
61.98829	5.2
64.21318	1.2
66.12366	1.3
66.55697	1.2
67.01878	3.5
71.01381	2.9
71.54628	1.5
79.50235	1.5
83.05028	5.2
84.26899	1.2
85.02950	4.2
87.00899	2.6
88.51048	1.5
91.49569	1.5
93.03476	14.5
96.95970	3.0
111.04526	1.8
120.40404	1.2
121.09697	1.3
124.85610	1.5
132.10310	1.4
135.04549	2.1
145.02946	1.5
151.04138	1.4
155.03476	2.2
162.93683	1.4
163.11310	2.2
165.12833	3.3
171.10316	8.8
173.04594	12.3
173.05954	2.4
187.07593	1.5
191.05629	38.6
209.11845	100.0
210.12250	3.9
227.12917	11.6
233.06677	1.9
376.54626	1.5
470.12021	5.0
475.26721	2.2
603.24042	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	604.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.0
60.06083	1.3
61.98837	100.0
63.76454	1.2
71.17258	1.1
71.54420	1.8
93.03439	3.2
96.73833	1.4
108.65126	1.4
143.04311	1.4
163.04082	1.4
173.04552	3.4
175.80782	1.3
191.05658	8.5
194.98158	1.4
380.39932	1.6
447.13300	3.3
495.12091	1.4
527.01794	1.3
545.10504	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	605.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11467	1.7
57.02039	1.8
59.01388	13.4
61.98837	3.8
66.74432	1.5
70.70232	1.5
71.01400	5.4
71.54935	1.5
73.02956	2.9
83.01425	3.5
85.02978	3.0
87.00890	2.0
90.99404	1.4
93.03466	14.3
95.01406	1.7
96.96032	8.9
101.02435	2.7
107.01406	1.8
109.02999	1.6
111.04546	2.6
113.02431	1.9
123.04554	3.9
125.02469	1.8
133.02969	20.6
135.04533	6.8
137.02441	4.1
149.02486	2.2
151.00375	6.6
155.03487	3.6
161.02481	28.0
167.03525	13.9
173.04570	33.4
175.04007	2.8
176.04234	2.3
178.02715	1.9
179.03508	4.2
179.10741	1.9
191.05620	14.5
192.06047	1.8
195.37949	1.6
199.04089	2.7
251.05629	23.0
251.55995	2.7
267.86493	1.9
284.03323	2.5
285.04034	100.0
286.04453	6.1
307.09247	1.9
323.07785	3.3
332.08179	16.4
332.58405	5.1
335.07782	4.6
407.08090	4.0
477.69916	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	605.2413
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.77510	0.6
57.01101	0.6
65.81979	0.6
69.74496	0.6
70.61636	2.1
98.20358	1.5
100.81193	0.7
118.62576	0.8
241.69681	0.7
366.24130	0.6
396.22665	0.9
415.15500	1.2
416.16229	0.9
430.18472	0.9
443.19138	1.0
455.19214	0.8
457.20386	1.7
459.17834	1.5
470.21252	1.0
471.18274	1.0
473.19724	4.6
474.20087	0.7
485.24063	1.5
486.20529	3.2
487.20966	1.2
499.17682	2.6
501.22986	2.6
511.21182	2.3
513.19714	3.3
514.20001	7.8
515.21051	0.8
518.19623	1.7
528.21521	1.1
529.22504	100.0
530.22852	11.4
532.21228	1.3
533.22064	1.8
561.25818	1.1
573.21442	1.5
605.23822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74986	1.7
63.17603	1.7
70.08193	6.5
109.62930	1.5
152.99654	2.2
175.04002	2.0
430.17953	8.6
444.19470	4.8
445.20361	100.0
446.20633	12.0
459.21991	21.7
460.22607	6.7
463.05963	1.8
487.21469	2.4
504.21759	65.2
505.21844	9.1
518.23132	15.3
519.24072	93.8
520.24371	11.2
573.25317	2.7
597.30090	1.7
605.27753	58.5
605.42029	2.3
606.28156	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	606.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45250	1.6
57.85566	1.6
59.01386	14.2
61.98837	43.7
65.00333	6.7
71.01405	5.3
71.54439	2.8
72.99321	2.0
77.38277	1.8
83.01403	4.1
85.02972	5.5
89.17405	1.5
93.03470	8.3
96.96024	6.5
101.02481	2.4
107.01411	10.6
113.02457	2.0
116.92942	1.8
122.55067	1.5
123.04613	2.0
125.02469	12.2
133.03015	1.7
135.04558	2.6
137.02420	3.4
145.02948	2.6
151.00391	35.4
161.02455	3.1
165.01941	2.5
167.03487	5.1
172.05276	3.0
173.04607	9.2
175.00308	3.1
179.03545	2.1
191.05644	20.4
193.05016	2.1
201.09225	31.7
216.27640	1.6
221.66853	1.6
225.09360	2.0
227.07188	1.9
229.08710	22.7
251.06950	2.2
253.08556	1.6
255.06728	6.2
279.06757	7.6
284.03357	4.4
299.05685	4.6
309.03983	4.6
319.09625	1.9
353.10217	6.6
362.07968	6.0
363.08795	27.8
364.09488	2.0
381.09763	22.3
387.08694	2.6
405.09805	4.5
480.48447	1.7
487.09656	2.6
501.30984	1.9
503.32236	2.9
525.14081	22.3
526.14294	2.6
543.15131	100.0
544.15326	10.7
547.11646	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	606.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47115	0.7
57.03448	1.3
58.93467	0.8
59.01383	3.4
59.45457	0.6
61.98837	21.4
65.00333	1.6
71.01374	2.8
83.01398	1.4
87.00883	0.8
88.04032	1.9
89.02441	1.0
93.03459	2.1
96.96024	1.7
101.02441	1.1
107.01382	2.9
113.02451	0.8
115.00409	1.1
125.02486	5.6
133.02855	0.8
135.04550	1.0
137.02374	1.0
151.00395	10.4
156.07167	0.7
161.02435	3.6
163.11385	0.6
167.03497	1.9
172.05238	1.5
173.04556	1.5
175.00302	0.9
175.03987	1.1
179.03470	0.7
187.07648	0.8
191.05594	5.3
196.05215	1.0
199.04063	0.8
200.04800	1.6
201.09233	1.1
201.15100	0.7
209.11823	1.2
211.07619	2.2
213.05611	0.8
221.46886	0.7
224.04800	0.7
227.07300	0.9
229.08656	3.9
229.70055	0.8
239.06888	0.7
249.08638	0.7
255.06653	4.0
261.05457	1.2
264.04138	0.8
284.03265	3.3
284.06134	0.7
285.03833	1.4
295.09763	1.6
296.03250	0.7
299.05536	2.4
300.05954	1.0
305.04535	5.2
306.05011	1.0
307.06171	1.1
308.03293	7.1
309.03958	4.1
309.07477	1.3
323.05536	1.0
333.04022	2.0
336.06506	1.3
337.07123	11.7
338.07632	1.1
380.09259	1.2
381.09833	35.9
382.10129	4.6
435.22528	0.8
471.09485	0.8
476.19629	0.8
543.15112	100.0
544.15442	11.1
606.23236	0.9
606.31567	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	606.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28952	0.2
56.78791	0.3
59.01382	0.6
61.98836	100.0
70.08502	1.0
71.01401	0.4
75.37992	0.2
80.96529	0.5
87.00924	0.3
93.03481	1.1
110.53196	0.3
113.02383	0.3
115.39296	0.2
118.03799	0.2
119.05040	0.5
133.03099	0.3
145.03004	0.3
161.02501	0.6
164.59503	0.3
173.04530	0.7
191.05638	1.5
192.06079	0.3
241.80997	0.3
284.03561	0.3
299.05832	0.4
607.24695	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	607.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52534	0.1
56.97689	0.1
59.01385	0.2
63.02391	0.4
65.00051	0.1
65.00332	0.3
66.19644	0.1
70.99089	0.2
73.26928	0.1
74.39474	0.1
83.01379	0.3
92.28778	0.1
92.60438	0.1
96.95971	0.2
100.78160	0.1
107.01386	0.6
133.03008	0.4
134.03772	0.7
135.04471	0.2
137.67215	0.1
146.59425	0.1
148.01646	0.3
149.99617	0.2
151.00400	1.1
173.04549	0.2
183.04469	0.2
191.05591	0.3
200.04744	0.4
211.03984	0.4
212.04889	0.3
215.43532	0.1
227.03537	0.7
228.04083	0.1
237.74490	0.1
239.03433	0.2
240.04332	0.2
240.22119	0.1
255.02992	2.8
256.03787	2.9
257.73404	0.1
283.02560	1.0
284.03284	82.7
285.03635	4.8
297.03934	0.7
299.05624	100.0
300.05966	6.0
341.06757	0.3
391.74905	0.1
607.16760	4.1
607.26306	0.2
608.17004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
57.03448	6.9
59.01385	100.0
60.99331	5.9
61.98843	26.5
67.01892	9.5
70.79993	3.4
70.91670	6.4
70.92004	6.0
71.01394	33.2
72.99350	3.7
73.02955	7.0
78.95909	4.7
83.01387	12.1
85.02959	24.4
87.00885	16.9
89.02456	9.8
92.01695	4.3
93.03473	52.9
96.96012	21.3
99.00857	4.7
101.02444	16.6
102.05618	56.8
111.04509	7.6
112.54112	3.6
113.02477	13.5
119.05004	5.6
121.03011	4.5
125.02418	7.0
128.03551	56.7
133.02956	6.5
134.03758	7.3
135.04475	5.7
137.02406	6.4
137.09674	6.6
145.02969	8.3
146.04677	21.5
151.00378	5.8
158.99765	5.9
161.02437	11.1
161.04532	8.0
170.86336	3.9
173.04585	26.3
179.03598	4.9
184.97728	13.9
185.15201	3.6
191.05650	61.0
202.98807	9.4
205.99017	8.7
209.11809	4.7
215.07048	5.9
226.98732	7.6
227.03552	4.9
229.08705	3.9
231.10213	4.4
237.97929	5.6
253.09023	5.4
255.03021	6.0
271.01382	19.8
275.09427	4.5
277.00168	7.3
283.13367	5.2
284.03256	28.7
299.05679	31.0
343.08545	7.2
349.19937	4.2
353.14017	7.0
359.27872	4.9
373.09549	5.5
415.10211	5.0
419.06418	16.8
449.14429	9.5
450.04688	25.2
459.07294	5.3
460.23425	5.8
478.24277	12.0
487.09229	38.8
488.09836	6.9
503.32288	69.5
510.17505	6.8
521.33179	28.0
547.11371	56.7
548.11743	7.9
563.21564	7.2
607.13416	9.8
607.29163	83.6
608.29138	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	609.1465
Annotation	Luteolin 7-laminaribioside
Peak:m/z	Relative Intensity
55.89141	0.5
59.01384	12.4
65.00345	0.6
71.01388	5.4
73.02959	5.1
74.56313	0.5
83.01402	1.5
85.02982	1.4
87.00894	0.8
89.02454	1.3
93.03476	1.9
95.01358	0.7
96.96028	7.1
101.02454	5.1
107.01420	1.0
109.02950	1.2
113.02460	2.1
119.03532	0.6
131.05011	0.7
133.02975	2.9
137.02444	4.2
143.03542	1.0
147.04565	0.6
149.02435	1.1
151.00406	2.8
151.04059	0.9
161.04565	2.2
164.03539	0.7
165.00568	0.7
165.01941	12.7
173.04535	0.8
175.03986	1.8
177.16106	0.5
179.03517	4.8
180.04298	8.6
183.04306	0.6
191.05646	7.6
194.05862	0.8
195.06635	10.5
199.04030	1.5
201.02061	0.8
203.03557	0.8
203.05544	0.6
210.05318	1.9
211.08821	0.6
213.05524	0.6
217.05179	0.8
219.03130	0.8
222.30292	0.6
225.07698	8.3
227.03487	0.9
229.54672	0.7
233.04520	0.9
255.03035	5.4
256.03687	2.3
257.04535	0.7
267.10489	0.7
271.06198	3.3
283.02405	2.0
284.03296	28.2
285.04068	100.0
286.04410	5.3
286.08466	1.7
297.04068	1.1
327.05103	1.2
327.08737	2.5
342.10974	2.3
357.13452	11.7
417.09464	0.7
447.09381	84.8
448.09738	6.9
449.14557	3.7
501.17715	2.1
533.17981	0.9
561.20142	0.9
609.14441	13.1
610.14893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1469
Annotation	Cyanin
Peak:m/z	Relative Intensity
56.90221	0.4
59.01377	1.4
63.02406	0.7
65.00344	0.5
69.81241	1.1
69.81664	1.8
73.41101	0.4
83.01417	0.8
85.02957	0.5
85.48198	0.4
91.90203	0.4
93.03487	0.8
96.96014	1.7
97.88121	0.4
101.02466	0.6
107.01373	0.9
111.00879	1.1
128.03522	0.5
133.02968	2.0
134.03766	0.4
137.02454	0.7
143.07632	0.5
145.02968	0.6
149.02429	1.4
151.00414	2.7
154.13647	0.4
165.01967	1.5
170.07811	0.4
172.58934	0.5
173.04559	1.2
175.04010	1.3
180.04231	0.5
191.05592	2.4
195.06642	0.8
199.04018	1.4
211.04019	0.7
217.05104	1.0
225.07716	0.5
255.03001	1.0
255.09105	0.5
256.03748	1.7
257.04401	0.6
283.02576	0.7
284.00031	0.9
284.03278	40.3
285.04056	100.0
286.04413	5.3
293.80438	0.5
297.03922	0.5
327.05069	1.4
346.23087	0.4
354.10300	0.5
357.13458	1.1
447.09341	99.6
448.09698	7.7
609.14526	4.3
609.22626	0.5
611.22595	0.5
615.47876	0.5
639.95996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.3
63.02410	0.6
69.49965	0.6
69.50365	1.8
71.01391	1.9
72.08598	0.3
73.02944	0.5
73.08872	0.4
79.45673	0.3
82.17255	0.4
83.01399	0.4
83.87062	0.3
85.02966	0.7
86.11056	0.3
89.02474	0.6
93.03477	0.4
96.96032	1.8
101.02442	1.3
107.01405	1.0
113.02473	0.5
133.02953	3.1
134.03755	0.4
135.04527	0.5
141.15565	0.4
145.02972	0.7
147.04691	0.4
149.02449	0.9
151.00371	3.3
155.06961	0.4
161.04623	0.5
165.01967	1.9
173.04564	0.6
175.03989	1.6
180.04335	0.5
191.05585	2.5
195.06691	1.1
199.04007	1.1
201.02084	0.7
210.84500	0.4
211.03955	0.5
212.04884	0.4
213.05559	0.4
215.03532	0.4
217.05075	0.8
219.03033	0.4
225.07698	0.6
227.03522	0.8
241.05185	0.4
243.03023	0.4
255.03015	5.4
256.03772	1.8
271.06088	1.2
283.02554	2.2
284.00949	0.6
284.03284	28.2
285.04068	100.0
286.04401	5.7
286.08078	0.5
297.03964	0.5
327.05161	0.9
357.13577	0.8
418.50098	0.4
447.09338	87.0
448.09729	6.2
449.14526	1.5
549.25708	1.4
609.14661	11.0
610.15552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03442	1.1
58.00589	1.0
59.01387	24.2
69.60543	2.2
71.01391	17.8
72.99307	1.7
73.02953	3.2
73.70956	0.3
79.22712	0.4
80.07703	0.3
83.01387	2.8
84.51318	0.4
85.02959	5.9
86.00101	0.7
86.13502	0.4
87.00877	1.9
89.02451	7.8
90.15218	0.3
93.03481	1.0
95.01389	1.2
95.05292	0.3
96.96017	1.2
99.00876	1.0
101.01799	0.8
101.02453	11.9
109.91061	0.3
111.00902	0.8
113.02471	5.1
115.59571	0.4
119.03504	2.6
119.62148	0.4
125.02552	0.4
129.01906	0.4
130.06511	0.4
143.03491	0.5
163.03963	0.4
163.83966	0.3
173.04543	1.4
191.05621	5.1
261.79092	0.3
267.19644	0.7
285.20776	2.0
429.24854	3.4
431.26752	0.4
447.25986	18.9
448.26288	1.7
589.01385	0.4
591.30035	0.5
609.31311	100.0
610.21692	0.7
610.31677	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	609.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03444	1.2
58.00580	0.9
59.01385	22.9
69.58841	2.3
71.01389	16.4
72.99302	1.3
73.02948	3.0
81.03470	0.6
83.01409	2.5
85.02956	4.8
86.00111	0.7
87.00873	1.7
89.01944	0.6
89.02454	7.3
93.03489	2.2
95.01379	1.2
96.95982	0.9
99.00875	1.0
101.02448	11.3
101.03422	0.5
111.00869	0.8
111.04568	0.4
112.95808	0.5
113.02464	4.9
119.03523	2.6
125.02441	0.5
173.04562	1.6
191.04262	0.5
191.05640	5.0
242.17601	0.4
273.41467	0.5
285.20654	2.0
288.06381	0.4
330.24420	0.4
371.38690	0.4
429.24921	3.2
447.26031	17.5
448.26392	1.3
456.10269	0.4
460.84161	0.5
501.26874	0.5
577.22699	0.5
591.30212	0.8
609.31311	100.0
610.21759	0.8
610.31659	14.1
610.46759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03441	6.3
59.01388	73.2
64.95287	2.0
67.01897	3.3
69.03448	3.0
69.54701	11.9
71.01385	18.6
73.02946	5.3
73.23373	2.0
79.95741	2.3
81.17266	2.0
83.01398	6.8
83.05036	2.5
85.02956	25.0
86.00068	3.1
87.00869	11.1
87.42748	2.0
89.02486	2.5
93.03480	24.8
94.03765	2.5
96.96012	19.2
98.19964	2.6
99.00880	3.4
101.02469	11.6
109.02988	2.0
111.00901	3.8
111.04515	3.9
113.02438	5.5
117.33910	2.2
119.05001	6.1
125.02428	6.3
133.02997	3.2
135.04510	2.6
137.02466	4.2
151.00424	2.3
162.66316	2.2
163.04050	4.6
171.13922	4.2
173.04587	23.4
175.03954	2.9
191.05644	84.0
192.05951	4.0
201.15051	3.5
218.22060	2.1
221.41718	2.8
285.04120	11.9
294.05365	3.6
295.06149	3.1
312.06375	3.1
316.25626	2.2
322.04810	3.4
359.18829	2.6
359.28110	5.1
361.29605	14.1
385.12735	2.3
432.93356	2.8
442.36264	2.5
459.06976	4.3
489.26877	2.5
505.33939	100.0
506.34088	10.1
507.28400	5.8
512.09827	6.2
523.35077	20.2
550.87115	2.3
565.36078	2.3
577.22906	4.6
609.15753	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	609.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	33.4
67.89594	4.8
68.05868	4.4
69.24157	43.8
71.65856	4.3
77.99225	4.9
90.17715	4.3
90.71032	4.8
128.81854	5.5
136.25446	4.3
171.10327	6.9
181.08713	8.3
199.09775	18.0
199.13416	7.4
201.11256	10.7
207.10315	11.4
225.11359	16.5
233.74722	4.8
243.12254	5.2
255.23297	100.0
284.31146	5.4
423.19104	5.2
511.35834	5.0
603.39758	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	609.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00569	9.1
56.35427	9.2
59.01377	35.7
65.29981	8.4
69.19614	52.0
69.20039	30.6
69.62994	8.2
75.53314	10.7
77.33289	8.4
83.74713	8.4
89.13309	8.5
124.49454	9.6
169.15369	9.0
171.50473	8.3
197.11803	22.0
199.09755	27.5
201.11298	21.8
225.11232	13.7
253.21658	11.2
255.23354	100.0
256.23737	9.5
315.14514	12.5
563.93988	10.5
609.31897	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	609.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96128	20.7
59.01368	32.5
71.17098	26.9
71.17450	38.0
73.23032	23.0
83.44835	19.6
90.63358	22.1
100.07745	24.1
101.41557	19.3
123.45620	20.5
127.16064	22.4
172.08057	23.7
256.92758	21.8
279.23358	100.0
366.55630	21.7
381.87936	21.6
557.01398	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	611.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
61.98794	2.5
70.09083	10.3
71.01379	3.8
78.95914	5.1
79.95747	5.2
85.02988	2.7
93.03460	4.8
94.65794	2.1
96.96026	100.0
96.96986	7.1
133.02969	3.0
135.04536	2.8
146.00104	2.2
168.56673	2.4
173.04544	9.4
191.05675	16.5
211.13335	4.2
218.76616	2.4
277.21707	6.7
309.14749	2.6
351.06787	3.4
399.94931	2.8
581.77100	3.1
611.28271	3.6
626.54639	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	611.1622
Annotation	eriodictoyl-7-O-sophoroside
Peak:m/z	Relative Intensity
58.11900	0.8
59.01387	2.1
63.02407	0.7
65.00336	7.4
66.42445	0.8
71.01375	0.9
71.53466	1.0
75.88069	0.7
83.01379	4.0
85.02954	1.1
89.50546	0.6
93.03480	1.9
96.96012	4.0
99.59856	0.7
107.01396	15.7
108.02214	0.8
109.02983	2.8
111.00904	0.7
116.56712	0.7
123.00936	1.0
125.02464	4.8
130.01587	0.7
131.01471	0.9
134.03700	1.0
134.10950	0.7
135.04541	54.7
136.04904	1.4
137.02490	1.8
138.03226	2.6
139.00394	0.9
151.00385	100.0
152.00885	2.8
153.05641	2.2
161.02496	1.5
165.01970	1.0
167.03508	2.4
169.01520	1.1
173.02457	0.7
173.04573	1.3
175.00371	3.4
175.92416	0.9
177.01927	0.9
191.04045	0.8
191.05634	5.4
193.01430	1.1
201.01933	0.8
203.03424	0.8
205.05066	1.4
215.69592	0.7
241.05286	1.0
263.37732	0.8
285.04053	2.9
286.04221	3.5
287.05646	89.1
288.06107	3.9
311.05524	0.8
371.07895	1.0
386.10052	1.3
401.12488	11.1
413.12469	2.2
431.13571	7.9
447.09531	1.0
448.09720	0.9
449.10825	73.4
450.11182	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	611.1623
Annotation	Eriodictyol 5,3'-di-O-glucoside
Peak:m/z	Relative Intensity
59.01389	1.6
59.66960	0.8
67.08848	0.6
71.01399	5.2
71.30389	1.2
73.02987	1.1
83.01377	1.0
85.02948	2.1
87.00954	0.7
89.02440	0.8
92.01661	0.7
93.03472	21.5
94.03775	0.7
95.01389	0.9
96.99338	1.0
101.02464	3.9
108.01473	1.5
108.02186	20.3
109.02985	0.7
113.02468	2.1
116.08138	0.7
119.05141	1.1
121.02948	1.6
123.04544	12.1
135.04497	2.1
136.01640	1.1
137.02464	43.3
138.02777	1.3
151.00394	0.9
151.03966	1.1
152.01170	47.6
153.01631	1.5
166.02679	1.4
167.03508	63.6
168.03867	1.5
177.05632	1.0
181.05107	0.9
191.03603	0.9
191.05605	1.4
209.04486	4.3
221.04489	1.2
241.02626	0.7
281.06693	27.9
282.07007	1.7
313.60547	0.7
412.66949	0.8
449.10925	100.0
450.11261	9.4
451.56390	0.8
491.12024	5.0
513.35535	1.0
521.12878	1.1
544.20032	0.8
611.16156	10.5
631.67096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1987
Annotation	Durantoside III
Peak:m/z	Relative Intensity
59.01381	2.9
61.98833	8.9
67.01893	1.0
68.99824	1.7
71.01389	1.7
73.02971	0.7
77.44737	0.7
79.95760	0.8
83.01405	2.8
85.02966	1.8
87.00870	1.0
93.03468	4.3
95.01401	1.6
96.96028	5.3
101.02439	1.2
101.12454	0.6
103.58939	0.6
103.79558	0.6
107.01428	0.7
108.02175	1.6
109.02979	1.9
110.00106	0.6
111.00894	3.0
112.98792	1.0
113.02474	1.2
119.03494	0.6
121.02987	1.1
123.00909	8.3
123.04576	1.3
124.01714	1.5
125.02519	1.0
127.00400	2.9
128.03581	0.7
135.04521	5.4
136.01697	0.8
136.98842	2.0
137.02457	5.0
137.99638	0.7
138.03256	13.0
138.09335	0.9
139.00398	18.6
139.03996	2.3
141.01964	0.7
145.02998	0.7
149.02441	1.1
150.03284	1.3
151.00386	5.1
151.04054	1.1
152.01201	1.7
153.01945	2.9
153.05600	11.3
153.99271	0.7
154.02777	1.5
154.99962	0.6
159.04518	1.1
161.02486	2.1
162.03241	2.4
165.02087	0.7
165.05594	2.4
167.03508	2.9
173.04546	1.2
175.04079	1.7
176.04887	1.3
177.02019	1.3
177.05574	5.3
178.02707	1.1
179.03572	1.3
181.05038	0.7
187.04141	1.0
189.01993	2.3
189.05650	1.4
190.02760	4.6
191.03537	4.3
191.05646	7.2
191.07170	1.0
193.05083	1.3
203.03490	2.0
204.04384	1.2
205.01482	1.3
205.05090	7.3
206.05722	0.7
207.06680	1.7
217.01445	3.1
218.02245	2.4
219.03026	1.9
219.06586	1.1
220.03699	1.0
221.04536	1.8
231.02925	0.7
232.03787	4.5
233.04549	3.3
234.05238	1.4
235.06265	1.9
238.04918	1.0
239.05597	1.6
247.06155	6.7
249.07826	1.0
277.07315	1.5
281.06842	3.5
287.05627	2.1
297.03940	0.9
297.19284	0.7
312.06516	1.3
325.03833	0.7
327.08789	0.8
336.06226	0.7
339.05096	0.7
343.08142	1.0
343.23987	2.8
355.08319	2.0
356.05627	1.5
367.08282	0.9
369.09900	0.8
370.06686	0.9
371.07715	5.6
372.08655	0.7
374.10135	1.9
383.08054	1.0
385.09320	1.9
386.10120	10.8
389.12433	16.9
390.12781	1.6
401.12418	28.6
402.12784	2.9
413.12466	7.6
416.11209	0.9
419.13504	9.5
427.72864	0.6
431.13489	23.5
431.19440	1.1
432.13858	1.2
449.14673	100.0
450.15137	6.6
521.13080	4.9
522.13855	0.7
551.18097	1.4
597.50885	0.7
611.19641	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	611.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
70.33218	1.6
77.20814	0.4
78.95916	4.7
79.76279	0.5
79.95752	3.9
83.33430	0.4
96.96021	100.0
96.96918	6.4
98.19954	0.6
98.20535	0.8
123.50864	0.4
124.00822	0.4
124.15939	0.4
174.41609	0.4
191.05612	0.8
277.21735	2.0
283.13434	0.6
291.04034	0.7
351.06323	1.1
520.12195	0.5
551.25409	0.6
578.02405	0.5
582.53180	0.4
611.27948	0.6
611.37604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14511	0.9
60.35669	1.0
60.51400	0.9
64.27699	0.9
66.26813	0.8
68.12764	1.0
78.95912	9.7
79.95750	3.2
90.25190	0.9
96.96019	100.0
96.96936	14.3
97.03036	1.0
116.98706	0.9
118.96664	1.7
127.09386	1.1
153.73631	0.9
184.60158	0.9
191.05569	2.0
229.36078	1.0
277.21738	3.0
320.70636	1.0
333.05142	1.5
345.35870	0.9
351.06055	3.1
466.19946	1.0
619.96735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70417	10.2
59.01372	18.4
61.33430	10.7
61.98830	100.0
67.28390	8.8
74.34175	11.0
80.96533	20.6
93.03466	15.8
96.96014	47.4
98.19871	23.4
113.02403	14.1
128.03554	10.2
134.03578	12.2
173.04546	21.8
191.05655	79.8
217.08647	15.3
223.13412	13.6
283.02441	11.6
408.30643	10.3
461.19305	14.6
611.29510	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12316	0.5
55.01891	0.6
57.03448	1.6
58.00595	0.9
59.01386	20.6
60.47649	0.7
61.98835	3.8
67.01897	1.9
71.01388	16.5
71.54062	0.7
72.99305	1.9
73.02960	3.3
75.00874	1.0
76.07404	0.7
81.03439	0.7
83.01398	2.2
85.02959	9.3
87.00880	3.4
89.02444	7.1
93.03469	12.0
95.01398	1.3
96.96021	7.1
97.04173	0.6
99.00890	1.2
101.02454	10.7
108.02191	0.7
109.02999	0.7
111.00895	0.9
111.04528	2.4
113.02448	4.7
119.03513	2.1
125.02446	1.1
127.03973	0.6
128.03558	1.0
133.02986	1.0
134.03754	1.2
135.04538	2.9
137.02425	1.2
155.03542	1.0
161.02448	1.6
161.04636	0.7
167.03593	1.4
173.04565	10.4
174.04904	0.8
177.05710	0.6
179.03450	2.1
187.07622	0.7
191.05635	31.0
192.05956	2.5
193.06207	0.7
197.46483	0.6
201.05547	0.8
223.13373	2.4
231.06473	0.9
241.21916	0.8
249.06023	0.9
253.09349	0.8
255.02963	1.4
256.03772	1.7
275.09274	1.1
278.07797	0.7
283.02475	0.7
284.03293	6.9
285.04001	1.9
287.22256	1.8
298.04849	0.9
299.05649	5.3
331.22894	1.1
353.08722	0.9
357.20627	1.0
375.21838	5.8
393.22229	1.0
419.11389	0.9
431.26334	3.1
449.14615	2.1
449.27603	18.4
450.27933	0.9
611.13525	4.6
611.32794	100.0
612.33057	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	611.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12316	0.5
55.01891	0.6
57.03448	1.6
58.00595	0.9
59.01386	20.6
60.47649	0.7
61.98835	3.8
67.01897	1.9
71.01388	16.5
71.54062	0.7
72.99305	1.9
73.02960	3.3
75.00874	1.0
76.07404	0.7
81.03439	0.7
83.01398	2.2
85.02959	9.3
87.00880	3.4
89.02444	7.1
93.03469	12.0
95.01398	1.3
96.96021	7.1
97.04173	0.6
99.00890	1.2
101.02454	10.7
108.02191	0.7
109.02999	0.7
111.00895	0.9
111.04528	2.4
113.02448	4.7
119.03513	2.1
125.02446	1.1
127.03973	0.6
128.03558	1.0
133.02986	1.0
134.03754	1.2
135.04538	2.9
137.02425	1.2
155.03542	1.0
161.02448	1.6
161.04636	0.7
167.03593	1.4
173.04565	10.4
174.04904	0.8
177.05710	0.6
179.03450	2.1
187.07622	0.7
191.05635	31.0
192.05956	2.5
193.06207	0.7
197.46483	0.6
201.05547	0.8
223.13373	2.4
231.06473	0.9
241.21916	0.8
249.06023	0.9
253.09349	0.8
255.02963	1.4
256.03772	1.7
275.09274	1.1
278.07797	0.7
283.02475	0.7
284.03293	6.9
285.04001	1.9
287.22256	1.8
298.04849	0.9
299.05649	5.3
331.22894	1.1
353.08722	0.9
357.20627	1.0
375.21838	5.8
393.22229	1.0
419.11389	0.9
431.26334	3.1
449.14615	2.1
449.27603	18.4
450.27933	0.9
611.13525	4.6
611.32794	100.0
612.33057	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	612.3178
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
50.78544	1.1
54.37220	0.8
61.14344	0.9
61.98836	2.3
70.74277	2.7
86.33451	0.9
121.02972	100.0
122.03328	1.7
173.04565	1.2
181.06621	6.9
191.05655	2.4
209.11850	2.3
210.12419	1.2
225.05586	6.6
235.45837	1.1
279.89566	1.1
313.07214	18.0
314.07614	1.5
357.06223	10.8
612.31799	52.6
613.32074	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	613.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	34.8
61.98829	32.0
71.01405	35.4
71.54716	15.9
78.95956	9.9
83.76007	9.1
85.02982	11.7
93.03471	33.7
96.95994	11.8
101.02457	9.7
109.06623	15.7
113.06066	13.8
169.12531	11.3
171.10284	79.9
181.08699	19.3
191.05606	67.0
197.11884	100.0
199.08105	14.7
199.09683	73.8
207.10300	68.7
209.11841	54.2
223.13388	40.5
225.11369	40.4
227.12991	19.9
253.09294	42.7
314.08578	10.7
324.61557	10.4
435.18643	24.9
435.91476	10.8
461.20352	19.2
481.68442	10.0
613.28571	16.0
613.39325	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	613.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96336	0.8
54.40226	0.8
54.53947	0.8
59.01385	63.1
61.98827	2.2
68.44973	1.0
71.45685	0.9
71.54192	1.4
73.85184	0.9
79.95750	1.3
85.02954	1.9
87.00890	2.4
93.03445	2.3
95.95291	2.2
96.96015	17.3
97.06609	3.1
101.16946	0.9
115.00349	1.0
121.02963	1.1
134.03743	0.9
137.07669	0.9
147.08159	2.6
153.01900	0.9
164.95906	0.8
165.09221	1.9
167.03491	1.3
173.04509	2.6
191.05666	14.1
194.92776	1.6
199.91408	1.2
225.11342	100.0
226.11652	4.0
293.92575	1.0
302.40198	1.0
312.55902	1.0
566.46222	1.0
570.85004	1.0
613.12762	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	614.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.2
70.84631	0.2
70.84987	0.3
71.69316	0.1
78.95918	1.2
79.95747	2.5
96.96023	100.0
97.95976	0.2
108.19719	0.1
118.00861	0.1
131.60519	0.1
152.99706	0.1
161.71651	0.1
171.10304	0.2
191.05580	0.3
207.10280	0.3
226.66550	0.1
258.07852	0.1
303.62396	0.1
305.82486	0.2
372.48212	0.1
532.22058	0.2
562.27283	0.1
615.30334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97173	0.1
61.98814	0.2
67.42168	0.1
70.75047	0.5
71.23254	0.1
78.95912	1.3
79.95741	2.9
89.75097	0.1
96.96019	100.0
97.57236	0.1
97.95956	0.3
152.99542	0.2
171.10307	0.6
173.83871	0.2
207.10333	0.2
243.01067	0.1
249.26662	0.2
250.95221	0.2
349.82074	0.1
400.69324	0.2
444.27454	0.1
476.60901	0.2
609.54333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98837	100.0
69.16706	1.4
69.17128	2.2
92.11040	0.3
95.53636	0.4
98.19968	0.9
103.80903	0.3
116.29662	0.4
148.35207	0.4
152.99660	0.6
179.10777	0.9
197.11900	3.5
241.10840	0.7
243.06378	0.4
253.21820	0.4
315.14505	6.8
315.17972	0.5
324.94250	0.4
344.12662	0.3
354.80670	0.4
367.88785	0.4
551.35883	3.6
552.36609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52626	0.9
54.46933	0.8
59.01386	24.8
61.98824	2.2
65.00306	1.0
71.01387	14.2
71.54450	1.6
72.87901	0.8
72.99294	1.2
73.02958	12.6
78.70914	1.0
83.01382	8.5
85.02961	4.5
85.16008	0.9
87.00896	4.9
89.02444	4.1
91.62196	1.0
93.03467	4.0
96.96021	18.3
98.95654	1.4
99.00877	6.1
100.01669	4.1
101.02464	12.2
109.02983	1.0
111.00881	11.2
113.02441	3.4
113.99603	45.6
114.99677	1.6
115.00392	16.8
119.05024	1.7
121.02979	11.2
125.02439	1.1
128.01164	4.0
131.03452	1.4
134.03757	5.0
135.04541	2.4
136.01680	1.9
137.02446	2.9
139.00406	4.7
149.06122	1.7
151.03987	2.2
152.38150	1.0
156.00662	49.4
157.01370	4.3
161.02492	1.3
161.04561	3.2
163.04109	1.3
165.01965	2.5
165.05487	1.9
165.93622	1.2
173.04553	3.7
174.01707	100.0
175.02406	7.3
178.02716	3.5
179.03517	1.6
180.04309	1.1
184.21036	1.2
191.05638	13.2
192.05962	2.4
193.05026	11.2
195.06615	2.4
213.12875	1.1
269.04575	13.6
270.04977	2.2
271.05707	1.6
285.03986	1.7
287.16620	5.2
304.38016	1.2
332.08484	0.9
343.21158	1.2
471.22577	1.9
491.15594	1.1
509.24109	1.3
511.21915	11.6
553.23425	1.0
572.38708	1.2
615.17438	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01388	7.7
60.77100	0.4
69.03449	0.5
69.36256	1.0
69.36653	3.2
71.01377	4.3
73.02951	1.8
80.02704	0.8
81.03458	1.9
83.05034	2.0
85.02979	1.7
87.00894	1.5
88.50140	0.5
89.02450	3.2
91.04013	0.4
91.22013	0.4
93.03471	1.6
93.05322	0.4
96.96014	1.6
97.02962	5.1
97.06597	0.5
99.00904	1.3
99.19491	0.5
101.02447	4.1
107.05048	0.7
109.02958	0.6
109.06601	19.7
110.03770	1.2
110.06945	0.5
111.08133	0.5
113.02475	1.7
119.03490	0.8
121.06599	1.9
123.08149	0.6
125.09739	2.0
127.11313	1.3
135.04555	0.5
135.08195	2.8
136.05319	1.3
137.02415	1.2
142.02724	1.4
143.03575	0.5
144.14038	0.4
145.03006	0.5
145.05054	0.7
153.09206	0.7
155.03415	0.8
160.01669	0.7
161.04565	1.9
161.09767	1.4
163.11308	11.5
165.09230	0.5
171.10283	100.0
172.10591	3.6
173.04593	0.7
179.05533	0.4
181.12352	3.1
183.10271	2.0
185.11893	1.2
189.09198	2.2
191.05635	3.3
193.08746	0.6
206.41512	0.5
207.10271	65.6
208.10562	2.8
209.11821	1.6
225.11331	25.5
226.11679	1.0
235.08214	3.3
253.09309	8.4
299.15121	0.7
317.21326	1.4
333.20724	0.9
335.22360	0.7
351.21750	0.9
361.20236	2.1
379.21173	1.2
395.98080	0.4
407.19229	1.1
443.19092	4.4
444.19617	0.7
452.44635	0.5
461.20285	10.3
462.20932	0.6
569.30212	0.8
597.29199	7.6
598.29272	0.9
615.30176	33.2
616.30493	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	615.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55756	12.8
51.91629	13.2
59.01388	100.0
61.98833	63.7
68.16501	15.3
71.44607	14.5
71.44975	21.6
72.25536	14.3
77.06578	15.5
78.95916	78.1
119.84574	14.5
137.54384	14.0
152.99596	63.0
173.39188	16.1
189.02490	13.0
207.10268	18.0
209.11761	32.9
225.11313	21.1
228.45306	14.4
253.21806	49.4
255.23320	21.2
379.11652	21.9
419.32144	16.1
453.51065	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	615.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24406	4.1
54.67073	4.2
58.90762	3.9
59.01113	6.8
59.01387	100.0
61.98852	10.1
62.42553	3.8
64.17815	4.2
71.53971	4.2
78.95908	10.6
83.18103	4.8
93.03475	4.5
98.20106	4.6
110.94837	4.0
111.06285	4.8
117.74483	4.8
129.98917	3.9
137.97266	4.3
152.99611	11.6
157.54758	4.1
201.11330	33.7
209.11852	45.1
227.12852	6.1
253.21785	73.5
255.23294	5.8
278.76917	5.3
375.32428	5.8
379.11386	6.6
419.31668	36.6
420.31964	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	615.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	80.5
61.98831	10.3
78.95908	26.9
93.34019	7.8
98.20702	12.6
106.28885	7.7
152.99568	28.8
177.39418	7.0
180.91391	7.0
199.55734	6.7
201.11382	38.5
209.11827	68.8
214.61516	6.8
217.31339	8.3
253.21747	100.0
327.52475	9.1
379.11618	14.5
419.31622	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	616.293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.2
76.78954	0.1
78.95911	1.1
79.95745	2.9
84.31580	0.1
85.92377	0.1
91.14764	0.1
96.96024	100.0
97.95950	0.4
98.78970	0.1
116.92868	0.2
118.01730	0.1
152.99648	0.3
164.50598	0.1
171.10405	0.1
193.27133	0.1
212.58549	0.1
213.60052	0.1
374.64413	0.1
421.22766	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	616.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21092	0.6
69.21519	0.6
78.95903	1.2
79.95742	2.8
96.96017	100.0
97.95948	0.2
98.20665	0.3
116.92857	0.2
148.88544	0.1
152.99628	0.2
164.47163	0.1
171.10257	0.2
186.16966	0.2
210.40147	0.1
279.23523	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	616.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56787	4.5
55.24489	4.1
59.01383	8.3
61.98841	100.0
69.46806	4.8
70.46613	13.1
78.95921	24.6
117.85094	4.6
149.66989	5.0
152.99580	16.5
260.33463	4.9
317.15952	5.8
349.94611	4.4
405.57867	5.0
449.77646	4.5
469.31430	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	616.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29430	0.4
55.51387	0.5
59.01392	2.0
61.98836	100.0
70.46818	1.3
76.09341	0.6
78.95921	1.9
80.23878	0.5
92.02520	0.4
92.03088	0.4
121.02523	0.4
122.10828	0.4
125.29533	0.5
125.78374	0.4
126.31420	0.6
152.99617	1.8
202.25761	0.5
209.11885	1.1
213.66795	0.6
249.78505	0.5
255.23315	3.8
326.26862	0.5
381.12967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.06441	0.3
67.34038	0.3
69.19368	2.4
69.19782	0.6
89.35648	0.3
92.56209	0.3
98.19869	0.5
148.36615	0.3
151.38823	0.3
152.99588	0.3
158.39908	0.3
161.09775	0.5
179.10826	0.9
197.11823	2.2
224.78867	0.3
224.93848	0.3
233.52213	0.3
241.10912	0.6
255.23329	2.6
261.16193	0.3
303.58887	0.3
378.26508	0.3
409.69504	0.3
475.64047	0.4
553.37524	5.8
554.38190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
71.01411	0.4
71.08502	0.9
79.30528	0.3
79.95748	13.2
80.96102	0.5
80.96511	2.7
85.02954	0.6
93.03481	0.6
95.95238	4.6
96.33990	0.4
96.96024	100.0
108.61411	0.4
109.02961	0.4
110.97566	0.5
112.83711	0.4
118.94226	3.7
118.98083	0.4
120.01253	0.8
121.03017	0.6
135.04501	0.4
137.02515	0.6
144.14392	0.5
148.99202	0.8
152.01167	0.4
161.02464	0.4
164.98689	0.4
166.02737	0.4
167.03540	0.7
173.04608	0.7
179.03516	1.3
189.05478	0.4
191.05609	3.3
192.04402	0.9
193.05086	1.1
194.05980	0.4
199.90727	1.4
200.91443	0.5
207.06627	1.5
215.90163	1.1
216.90967	3.0
231.89659	1.0
257.08374	0.4
268.94147	2.8
274.01642	0.7
287.02283	0.7
289.03766	2.1
297.03693	0.9
301.03983	0.5
321.01102	1.1
357.09671	0.7
368.51984	0.5
387.10675	0.8
408.28436	0.4
467.06482	0.6
497.11581	0.8
507.05899	2.6
515.12323	0.7
531.02478	2.6
531.09644	0.7
544.59857	0.5
559.01825	1.8
587.01422	6.9
588.01971	1.0
601.03076	0.8
602.03937	3.4
617.06226	98.4
618.05872	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	617.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47694	0.4
56.35877	0.3
57.03445	0.5
58.50792	0.3
59.01385	3.0
61.98836	0.5
69.33887	1.4
69.34308	1.2
71.01385	3.6
72.99311	0.6
73.02966	0.8
78.95927	0.4
79.95763	0.5
80.02682	1.3
81.03465	1.2
83.01377	0.5
83.05025	4.0
85.02940	1.9
86.13402	0.4
87.00901	1.5
89.02435	2.2
91.04955	0.3
93.03457	2.7
95.05025	0.8
96.96019	1.2
101.02450	3.1
109.06585	0.4
111.04494	0.4
113.02473	1.4
119.03576	0.6
121.02934	0.4
125.02459	0.8
125.06123	0.5
125.09740	1.1
127.11317	2.0
135.04533	0.6
135.08205	0.6
137.02388	0.7
151.03706	0.3
153.09204	0.8
161.02528	0.4
161.04567	1.1
163.03954	0.3
163.11337	2.5
163.21899	0.3
165.12897	1.6
171.10286	100.0
172.10625	3.4
173.04562	1.3
179.03513	0.4
179.05547	0.3
181.12387	0.8
191.05629	9.0
191.10725	1.1
192.05977	0.8
197.11876	2.3
199.13391	1.0
201.11406	1.5
207.10385	0.4
209.11852	88.8
210.12207	3.7
217.08717	0.3
225.11391	0.7
227.12904	12.0
235.08267	2.9
253.09309	8.6
254.09669	0.6
312.66473	0.3
363.21771	0.7
407.19211	1.2
425.13730	2.3
445.20636	1.1
449.55356	0.3
463.21393	0.4
463.56342	0.3
581.29669	0.5
599.30054	0.5
617.20306	1.2
617.31024	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	617.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
62.21172	0.3
70.91257	0.4
70.91605	0.6
71.01385	2.6
73.02955	0.7
80.02709	1.0
81.03464	1.3
83.01394	0.4
83.05032	3.4
84.02162	0.7
85.02966	1.2
87.00918	0.9
89.02444	2.2
93.03481	1.2
95.01376	0.5
95.05057	0.5
96.96022	0.6
99.08131	0.3
101.02432	2.0
109.02957	0.6
113.02488	1.1
119.03509	0.4
125.09759	1.2
127.11280	1.8
135.08195	0.7
145.05029	0.3
153.09172	0.4
160.01610	0.3
161.02420	0.4
161.04558	1.2
161.85742	0.3
163.11298	2.9
165.12854	1.9
171.10284	100.0
172.10626	3.7
173.04547	0.8
181.12395	0.4
191.05637	7.0
191.10770	0.8
192.05971	0.5
209.11839	87.3
210.12167	3.8
227.12914	11.7
228.13223	0.3
235.08263	3.1
249.09171	0.6
253.06699	0.5
253.09322	8.0
254.09581	0.3
407.19168	0.7
425.14020	3.0
426.14084	0.4
445.20660	0.6
451.52112	0.3
590.20593	0.3
617.19940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52396	1.1
57.72674	1.2
59.01388	38.4
61.98838	18.3
64.35933	1.2
71.16424	2.2
77.16744	1.0
78.95916	8.9
81.52618	1.0
83.05065	2.0
83.78740	1.2
152.99588	12.5
163.11243	1.5
175.26259	1.1
183.10469	1.1
201.11343	11.2
209.11844	29.2
227.13000	2.0
228.45981	1.2
255.23315	100.0
256.23682	4.3
363.12329	1.9
381.13171	6.0
421.33102	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	618.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57740	0.3
53.21627	0.3
54.87382	0.3
64.90435	0.3
69.63763	2.1
75.67344	0.4
79.95749	11.0
80.96521	5.9
84.17521	0.3
95.95242	2.7
95.97633	0.4
96.96021	100.0
110.97609	0.4
112.93774	0.7
114.02876	0.3
120.01264	10.3
121.99242	0.8
122.97598	1.7
132.14546	0.3
151.04024	0.5
161.02458	2.9
165.02086	0.3
165.05605	0.4
170.76682	0.4
175.03961	0.5
176.04839	1.8
177.01938	1.6
178.02737	0.7
179.03513	6.0
180.04195	0.4
180.99646	0.6
191.07181	0.7
192.04294	3.8
193.05080	2.1
194.05833	4.4
195.06641	0.5
196.01981	0.8
197.26753	0.4
207.06653	3.6
209.08199	2.6
211.04298	0.7
222.87422	0.3
223.04277	0.7
241.05310	0.8
249.23192	0.3
264.62109	0.3
269.58038	0.3
274.01572	1.2
275.02234	1.2
287.02484	0.4
288.03116	1.8
289.03906	17.6
290.04367	0.9
321.01074	14.3
322.01468	0.4
365.99921	0.4
408.04294	2.6
519.64728	0.4
531.10034	5.9
532.10278	0.6
618.13208	26.5
619.13629	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	618.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84204	0.3
59.01391	0.8
67.15585	0.2
69.89270	0.9
69.89682	0.4
71.18617	0.2
72.47192	0.2
75.99739	0.3
79.95746	10.0
80.96530	5.3
93.03468	0.4
95.95252	3.0
95.97635	0.6
96.96020	100.0
97.95981	0.3
98.20541	0.3
105.03415	0.3
110.97578	0.7
112.93750	0.9
120.01258	8.8
120.99680	0.5
121.99190	0.5
122.97591	2.5
128.03508	0.5
133.02966	0.4
137.02422	0.4
150.03235	0.3
151.04016	1.2
161.02467	3.5
167.03511	0.4
175.03996	0.6
176.04803	2.2
177.01936	2.3
177.05576	0.3
178.02718	1.2
179.03513	5.8
180.04105	0.3
191.05681	0.6
191.07198	0.7
192.04338	3.6
192.99557	0.5
193.05084	2.2
194.05853	4.2
195.06642	0.5
196.02007	0.5
197.02774	0.5
199.10890	1.2
200.11293	0.4
207.06650	3.9
209.08173	2.7
211.04364	1.1
220.09860	0.3
223.04362	0.4
241.05385	0.8
273.18823	0.3
274.01495	1.2
275.02292	1.2
287.02216	0.3
288.03122	2.4
289.03900	16.0
290.04236	0.5
321.01096	18.6
322.01349	0.7
408.04407	2.5
531.10059	8.0
532.10504	0.8
557.11615	0.6
618.13214	20.3
619.13153	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	618.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15657	0.5
54.09455	0.5
57.58002	0.6
61.98836	100.0
68.51523	0.5
69.19582	4.0
78.95911	2.4
93.08862	0.6
98.20270	2.5
123.47995	0.5
142.42278	0.5
152.99597	2.1
209.11952	0.7
255.23361	1.4
335.64819	0.5
462.68497	0.6
595.24695	0.6
619.36548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43763	1.8
61.98837	100.0
70.06213	1.8
70.32276	2.0
70.93974	5.7
72.22798	1.8
74.51811	1.8
77.28084	1.8
77.39102	2.3
78.95917	9.0
145.07985	1.8
152.99593	8.8
225.11465	2.2
235.50914	1.9
255.23306	6.2
278.96576	2.3
284.36652	2.1
555.38977	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	619.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35095	0.7
51.60402	0.7
52.27705	0.7
63.02404	2.2
64.29894	0.8
65.00341	1.6
67.65802	0.7
69.33832	6.5
83.01392	1.5
96.96035	1.2
99.78076	0.7
107.01382	2.7
118.86787	0.8
129.49272	0.7
133.02971	7.1
134.03859	1.6
149.02414	1.4
151.00395	6.1
152.20259	0.9
173.04419	0.9
175.04034	2.1
183.04370	0.7
185.06068	0.8
191.05673	1.0
199.04027	2.2
211.03973	2.2
212.04738	0.8
217.05075	1.1
227.03575	2.0
228.04454	0.9
243.03003	0.8
255.03009	1.2
256.03830	4.2
257.04300	1.0
283.02463	1.2
284.03284	64.9
285.04059	100.0
286.04407	6.0
296.48523	0.7
327.05103	1.3
471.09171	1.7
489.10480	2.4
531.11469	89.3
532.11981	9.9
611.30200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26647	1.2
59.01366	3.4
61.98826	3.9
67.01902	2.4
69.42200	1.3
69.47076	7.9
71.01379	2.5
75.85242	1.2
78.95967	1.5
81.03478	1.6
82.27741	1.2
85.02956	2.7
87.00883	5.0
89.03983	3.4
90.50398	1.1
93.03471	16.6
96.96056	2.2
106.04214	1.6
109.14871	1.1
111.04517	2.1
112.41429	1.2
117.03451	7.7
119.05019	2.7
132.02156	6.4
133.02966	6.7
134.03757	99.7
135.04477	4.2
136.01677	2.3
137.02487	2.9
145.02965	2.0
147.04512	4.1
149.06090	13.7
151.03967	2.2
152.60965	1.2
159.04547	1.7
160.01674	20.3
160.05338	1.8
171.10295	1.4
172.05228	1.5
173.04572	8.2
173.05984	1.9
175.04028	16.2
178.02696	6.1
179.03452	2.4
186.06758	1.5
191.05621	29.6
193.05066	100.0
194.05396	3.3
215.07410	1.6
230.05862	4.8
234.05338	2.2
245.08257	1.6
249.07512	1.6
337.14114	1.5
381.13608	6.3
425.12491	40.0
426.13013	5.3
427.14627	1.6
441.55338	1.3
619.18054	4.0
619.27228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2565
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.10007	0.8
57.48648	1.0
61.98832	2.0
70.82969	1.2
70.83326	1.8
96.42700	0.9
100.47706	0.8
101.29761	0.7
118.57165	0.9
124.45399	0.8
131.75475	1.0
154.70433	0.8
169.68065	0.9
226.32457	0.8
244.58063	0.7
283.02518	1.4
305.72995	0.8
389.14917	1.0
401.13940	2.8
415.15744	3.3
416.16437	12.7
417.16968	1.6
429.17578	1.4
430.17978	2.9
431.18741	1.8
434.17432	1.2
444.15753	2.2
458.17493	1.3
459.18268	100.0
460.18707	10.7
473.19861	15.5
474.20602	5.9
501.19254	2.4
503.17239	3.0
512.18201	0.9
517.18909	1.5
518.19635	46.0
519.20135	5.5
532.21069	9.7
533.21967	91.7
534.22314	12.9
587.23224	6.3
588.22498	1.1
619.25610	74.7
620.25958	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	619.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.2
58.00597	1.8
59.01387	100.0
60.01714	1.4
71.01390	52.3
71.54542	2.3
72.99306	1.8
73.02954	13.2
79.95753	1.7
83.01377	6.3
85.02960	13.0
87.00890	4.2
89.02457	53.0
92.55585	1.5
93.03451	5.2
95.01392	3.9
96.96015	16.8
98.95564	1.6
99.00911	2.2
101.02462	29.9
113.02464	33.3
119.03518	20.2
119.05015	4.5
125.02444	1.6
131.03500	3.5
135.04558	3.0
137.02460	3.7
143.03516	4.9
149.04597	3.5
155.03450	2.0
161.02423	3.3
161.04585	10.8
163.03967	2.5
173.04472	3.5
179.03539	4.6
179.05640	13.2
191.05647	19.9
204.55363	1.6
216.50687	1.3
220.08920	2.8
221.09364	3.0
222.09709	2.0
248.08333	4.8
249.08844	6.7
250.09300	6.0
292.03680	1.6
411.14417	4.5
412.14545	2.7
413.15216	7.7
413.55356	1.6
427.10703	3.5
445.11526	3.5
497.75879	1.7
515.24957	15.3
533.26123	11.1
604.46167	1.4
619.17291	5.2
620.16486	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	619.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79436	1.3
59.01385	51.6
69.03452	1.5
69.16241	13.2
71.01392	25.1
73.02956	17.2
83.01394	3.8
85.02966	6.0
89.02454	20.9
95.01403	1.7
96.96011	10.1
98.95608	1.5
101.02465	21.1
113.02460	11.7
119.03525	9.0
120.99649	3.2
131.03491	3.4
137.02472	1.9
143.03526	3.0
149.04591	2.3
153.39305	1.3
161.04622	6.5
173.04567	5.1
179.03476	1.9
179.05615	3.7
191.05670	3.6
195.68771	1.2
221.09711	2.0
222.10603	2.7
235.07684	1.5
236.08417	3.3
249.09276	4.8
250.09987	4.7
251.10796	100.0
252.11198	7.9
257.46234	1.3
413.16025	6.7
430.24384	1.4
457.15063	4.6
538.71478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50664	1.4
57.03447	1.8
58.00591	3.2
59.01386	100.0
61.31957	1.6
69.16902	17.5
71.01387	44.0
72.99319	3.4
73.02956	10.3
73.05525	1.7
79.95743	9.5
80.96552	3.5
82.08791	1.7
83.01381	4.1
85.02968	15.2
86.94265	1.8
87.00876	3.6
89.02455	45.7
89.03017	2.5
95.01376	5.2
95.95224	3.7
96.96020	69.4
98.95538	2.1
99.00880	2.0
101.02451	29.1
101.65166	1.6
113.02472	33.8
113.78117	1.7
118.30347	1.6
119.03516	18.3
120.99664	64.1
125.02467	2.5
131.03493	2.4
143.03503	4.5
161.02452	3.2
161.04591	12.4
167.03433	1.8
173.04497	3.2
179.03506	5.8
179.05655	15.0
191.05624	10.7
193.05034	2.5
194.05847	3.5
207.14005	1.9
211.04230	1.8
226.06471	2.0
289.03839	15.7
515.24933	27.9
516.25519	2.2
533.26074	18.3
534.26288	2.0
559.31427	2.0
575.26776	3.0
619.10809	18.5
620.11591	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	619.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01384	29.1
61.98835	3.7
71.01385	11.0
71.05022	1.8
71.54123	2.3
73.02950	4.9
74.04874	1.4
75.00918	1.8
83.05014	1.7
85.02955	10.0
87.00884	4.1
89.02484	2.6
93.03469	12.2
93.07124	2.5
96.96030	13.7
97.06635	2.2
101.02451	7.7
111.04517	2.9
113.02458	5.6
119.20150	1.4
125.02495	2.8
128.03569	2.6
133.02960	6.7
135.04532	1.7
137.02443	2.9
161.02455	6.2
169.01414	1.4
169.12329	1.6
171.10286	8.7
171.13878	1.7
172.10597	4.6
173.04565	14.3
177.66081	1.5
179.03540	3.2
183.14055	1.4
191.05617	31.7
199.13446	4.1
209.11940	8.9
210.12181	6.4
211.12531	2.3
213.14990	6.3
227.12860	2.3
227.16623	2.8
241.14412	7.7
243.16136	3.6
285.03976	2.0
323.22183	3.2
341.23175	3.5
353.23166	4.4
371.24387	100.0
372.24689	8.7
378.05792	1.7
575.30774	43.5
576.31006	4.6
619.31317	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	619.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01385	30.6
61.32432	1.6
69.50161	11.1
71.01396	10.8
73.02945	5.1
81.03430	2.9
83.01403	1.7
83.05038	3.4
85.02957	10.7
86.75445	1.5
87.00871	4.0
89.02459	3.4
93.03475	13.8
96.95478	1.8
96.96038	17.3
101.02477	8.5
102.05643	2.0
111.04501	1.8
113.02461	5.3
119.52806	2.0
125.02476	3.4
133.02972	4.1
135.04529	6.6
137.02417	3.4
161.02429	6.5
171.10234	11.9
172.10645	6.6
173.04578	13.7
177.01849	2.5
179.03508	3.1
191.05638	40.7
199.13492	3.2
203.85942	2.1
209.11833	9.4
210.12103	3.0
211.12500	2.5
213.14951	4.4
241.14386	8.4
243.15985	4.0
284.03107	2.6
285.04053	3.2
308.13840	1.7
323.22369	2.7
329.13721	1.7
335.07367	2.7
353.23462	5.4
371.24402	100.0
372.24738	10.0
575.30707	47.0
576.31067	5.1
585.23737	2.4
619.30811	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	620.402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03463	1.1
53.22532	1.0
61.98836	100.0
70.49160	3.5
78.95892	1.0
110.54511	1.1
133.80573	1.3
136.80794	1.0
516.17444	1.0
620.26434	1.7
632.35461	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	620.402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08192	1.0
61.47992	1.0
61.98839	100.0
69.85884	5.3
78.95920	2.0
98.19974	1.0
116.98878	1.1
145.19757	1.0
152.99620	1.0
189.10600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.16348	10.7
69.16772	5.4
71.88209	1.4
78.95898	2.9
83.93910	1.5
98.20200	7.9
105.35783	1.7
221.05789	1.4
255.23271	1.5
290.09534	1.4
467.22180	2.1
503.14697	1.6
529.28271	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05307	0.4
57.03424	0.5
59.01370	1.5
61.73480	0.4
62.65397	0.5
68.99103	0.4
71.01385	1.4
71.54030	0.8
78.95878	0.5
79.95737	1.5
80.96532	0.7
81.95314	0.7
82.96104	0.5
85.02957	1.2
93.03457	1.2
96.95383	0.8
96.96021	14.8
98.95612	7.3
98.96352	0.9
101.02456	1.1
108.02200	0.7
109.02934	0.8
112.93752	0.7
113.02496	0.5
120.01276	1.4
121.02965	0.6
125.02483	4.7
132.02217	0.7
133.02962	3.9
135.00868	1.4
135.04520	1.0
137.02425	0.6
139.00374	0.7
151.03893	0.5
152.27229	0.5
153.01958	0.5
161.02454	1.3
164.19385	0.5
165.01932	2.0
173.04549	1.3
175.04047	0.7
175.06081	0.6
177.01881	1.9
179.03510	2.4
180.03860	1.0
181.05003	0.6
183.04504	0.6
191.05618	3.9
193.05028	1.1
194.05872	0.6
199.04073	0.7
201.05634	1.1
207.06595	0.5
211.03999	2.6
225.05605	1.9
226.02716	0.6
226.06392	0.9
227.03479	2.0
229.01433	0.7
229.05150	0.5
239.03500	0.6
239.80635	0.4
241.05165	1.4
252.11584	2.6
255.02945	5.3
268.03845	3.9
269.04575	12.7
270.05362	5.4
283.02612	1.2
289.03894	1.0
291.03497	1.0
292.04016	0.5
297.04114	1.3
298.04840	31.4
299.05194	1.9
302.81726	0.5
313.07199	100.0
314.07587	5.9
322.01172	0.6
323.00919	2.2
324.01083	0.8
367.08231	1.7
381.06140	0.6
415.17719	2.2
534.10284	1.3
597.85242	0.5
621.13293	3.7
622.13843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	12.6
59.01392	6.8
65.00336	1.2
70.62082	1.0
71.01395	1.5
73.02961	1.7
79.01917	0.6
80.87850	0.5
81.03470	1.3
83.01401	2.0
85.02954	0.7
89.02470	0.8
93.03460	1.4
95.01407	0.9
95.04971	0.6
96.05751	0.5
96.96038	1.4
97.02965	2.2
99.04530	11.2
101.02454	5.2
107.01392	2.1
108.02119	0.5
109.02936	1.0
121.02964	1.7
123.00921	0.8
123.04540	1.1
125.02461	6.7
133.02956	0.6
134.03729	0.9
135.00896	1.8
135.04639	1.1
136.01668	3.8
137.02446	1.2
149.02489	1.8
149.06065	1.8
150.03229	1.7
151.00420	1.1
161.02469	1.6
161.04578	16.2
162.04781	0.6
163.00421	4.0
164.01193	4.1
165.01941	2.5
166.02687	0.9
173.04585	1.1
176.01178	0.6
177.01976	1.7
178.02708	1.9
179.03476	0.7
190.99832	0.8
191.03587	1.0
191.05623	1.7
192.00636	0.6
193.01399	3.7
199.04001	0.8
201.01869	0.8
201.11377	0.6
203.05775	0.9
205.01543	1.0
205.08646	0.9
206.02263	0.9
210.01747	1.2
212.04688	0.6
213.05611	0.7
215.03508	1.3
219.02968	0.9
227.07236	0.7
229.05016	0.6
229.08768	0.7
238.01224	0.6
239.07312	0.6
247.09560	0.6
255.06665	1.3
257.04630	0.6
260.55197	0.6
263.07758	2.7
269.08188	0.5
270.08972	0.6
283.06042	0.8
285.11322	1.2
298.04913	0.9
298.08200	0.8
299.05661	1.5
313.07208	2.9
313.10849	1.8
314.07999	2.4
315.08746	4.5
327.05078	0.7
327.08768	1.5
329.10263	2.6
341.10587	0.7
342.07407	3.3
357.09824	100.0
358.06076	0.8
358.10117	6.8
369.09686	2.0
387.10895	18.0
388.11362	1.6
399.10953	1.3
423.11032	0.8
441.11954	2.2
459.07452	0.7
459.12943	3.1
477.14096	12.3
478.14301	1.4
519.15179	6.6
520.15833	0.7
559.18274	1.6
576.05273	0.6
621.18164	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	39.9
63.47779	1.7
65.24925	1.4
71.01395	22.2
71.02667	3.1
73.02955	18.4
79.95734	1.7
83.01392	4.7
85.02950	5.2
89.02431	9.4
93.03469	25.7
94.06013	1.8
96.96034	9.5
97.02998	1.6
98.95577	2.1
99.00940	1.6
101.02462	21.4
104.05068	2.2
106.06630	1.7
108.02156	1.8
108.04567	4.1
113.02459	6.2
119.03521	3.8
119.05024	3.5
120.99659	5.1
121.03043	1.8
122.15798	1.5
122.99251	3.0
125.02428	1.6
132.04573	39.2
133.04837	1.7
134.06143	29.2
136.01624	2.6
137.01476	2.7
137.02466	34.8
143.03471	2.5
145.02959	5.2
146.03787	2.0
147.04558	1.7
148.04066	2.6
149.04405	1.5
152.07196	2.7
158.02481	2.6
158.06117	3.7
160.04027	2.0
161.04626	1.9
163.03975	2.1
169.01825	1.6
176.03564	7.8
179.03502	2.4
183.03192	1.4
190.05139	4.5
191.05602	6.1
193.05121	1.4
194.57533	1.6
197.06058	3.5
212.38818	1.5
213.40846	1.6
217.01480	9.2
218.02202	3.0
222.06868	2.8
225.05589	6.5
226.06390	51.9
227.06747	2.7
232.03706	8.3
233.04510	7.4
241.08765	21.4
251.11943	4.6
279.11465	16.4
280.11703	1.5
281.06680	48.6
282.06857	4.1
293.60248	1.4
295.10394	3.7
296.11224	3.6
297.11346	1.6
323.10468	11.1
399.10800	2.2
415.13934	6.6
459.17902	2.2
471.13205	2.1
477.19168	7.7
501.18872	18.0
515.12036	18.8
522.03040	1.6
523.16150	42.7
524.16309	5.0
545.17828	100.0
546.18115	12.5
559.19452	9.7
577.20447	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	621.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.4
69.38768	2.1
69.39181	4.3
71.01392	5.2
72.07919	0.7
73.02945	1.4
74.24186	0.7
84.93214	0.8
85.02961	1.9
87.00888	1.3
89.02449	1.6
93.03442	2.6
98.19805	1.1
101.02431	2.0
109.02950	3.0
113.02461	1.5
123.00894	2.8
125.02414	1.2
127.86928	0.8
134.03709	0.9
137.02455	10.6
149.02487	1.3
150.03273	1.1
150.99199	1.4
151.00377	19.8
151.04034	1.3
152.01137	1.9
152.04823	1.8
157.84601	0.8
165.01964	1.2
166.02725	61.5
167.03429	4.4
177.01904	2.8
179.03604	1.6
181.05083	73.4
182.05382	2.4
189.05602	1.0
190.06320	1.3
191.05675	3.8
192.04253	0.9
193.05063	2.2
205.08716	1.5
207.06674	1.2
285.03970	0.9
294.52170	0.8
359.11417	1.8
373.18607	1.6
387.10883	15.9
402.13263	7.3
402.18143	1.2
415.19791	9.5
417.15582	100.0
418.15973	9.5
448.01935	0.8
459.07343	9.3
481.42282	0.9
498.42670	0.9
621.12634	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	621.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47529	0.8
51.75600	0.9
57.03449	3.0
59.01384	7.1
70.28883	3.4
71.01396	1.6
73.02980	1.4
82.71725	0.9
87.04537	1.4
87.43199	0.9
93.03497	1.2
96.96031	1.3
97.06604	5.9
98.20046	1.2
101.02442	1.1
149.35974	1.0
173.04530	1.3
173.42221	0.9
185.11867	1.4
191.05617	4.6
199.13425	30.3
200.13728	1.6
239.16586	5.7
255.02921	6.8
283.02515	2.5
343.24918	3.4
355.24847	5.4
357.08206	1.1
360.12601	1.0
361.17249	1.0
373.25964	100.0
374.26334	9.5
381.09793	12.1
399.10980	5.7
408.61060	0.9
415.26776	1.3
431.52917	1.0
446.08484	4.3
577.32251	7.2
584.95563	0.9
621.31586	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	623.1624
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
54.74947	0.2
59.01378	0.3
61.98826	0.3
65.00338	0.3
69.37266	2.0
69.79850	0.3
70.89950	0.2
78.00929	0.2
89.70351	0.3
94.90396	0.3
96.96007	1.0
97.96835	0.3
98.20577	0.7
106.70527	0.3
109.02959	0.3
121.02984	0.5
133.01942	0.4
133.02963	7.0
135.04486	0.7
137.86830	0.2
149.99577	0.3
163.03983	0.6
164.59967	0.3
165.00636	0.4
165.01886	2.1
174.03209	0.3
174.17349	0.3
177.01884	0.3
179.03493	0.9
183.04425	0.3
187.03928	0.4
188.04858	0.6
191.05617	2.0
195.04471	0.3
199.04008	0.8
200.04778	0.7
211.03963	3.1
212.04788	3.6
213.01746	0.3
213.05290	0.3
214.02748	0.3
223.04042	1.2
227.03552	1.5
227.07169	0.3
228.04216	0.8
239.03471	1.1
240.04233	0.8
241.05000	0.7
242.02170	0.3
255.03047	1.4
255.06659	0.9
256.03778	9.4
256.06693	0.5
257.04138	0.9
266.31140	0.3
267.02960	1.8
268.03549	0.4
269.04568	1.2
270.09036	0.6
271.09790	0.9
283.02536	4.1
284.03287	14.3
285.03687	0.7
298.04819	1.4
299.05621	100.0
300.05945	6.3
414.88077	0.3
433.15302	1.4
433.20633	0.3
461.10913	26.1
462.11182	2.5
623.16229	15.4
624.16528	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	623.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80351	0.7
57.03449	1.6
59.01382	6.4
61.92843	0.7
67.01900	6.2
68.99801	0.7
69.03481	1.3
69.05778	0.7
71.01394	7.6
71.54421	1.2
73.02943	1.8
83.01395	0.9
85.02973	3.0
87.00909	1.0
89.02464	1.0
93.03471	40.4
96.96033	1.8
101.02451	3.0
108.02183	8.0
109.02955	2.1
111.00919	0.8
111.04565	5.1
113.02476	1.7
119.03416	0.9
119.05065	1.0
123.04510	4.0
127.04030	1.0
135.04507	1.5
137.02455	21.3
149.02437	1.5
150.03304	2.2
151.00348	0.8
152.01163	15.0
153.01912	1.8
155.03517	5.3
164.04793	1.1
165.05576	2.4
167.03506	20.8
168.03879	0.9
173.04561	100.0
174.04918	3.2
177.05615	0.8
181.59499	0.9
188.91875	0.7
191.03798	1.4
191.05627	14.3
191.07394	1.1
195.06647	1.4
244.06999	0.8
257.08212	1.2
281.06735	10.1
287.09201	1.0
295.09250	0.8
297.63977	1.1
327.12415	3.2
449.10834	51.3
450.11252	4.0
549.06207	0.7
623.16284	6.0
624.17328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1627
Annotation	Nervilifordin B
Peak:m/z	Relative Intensity
50.72092	0.2
55.53685	0.2
56.36157	0.2
57.03419	0.3
59.01379	1.3
63.02386	0.3
65.00323	0.4
66.43786	0.2
66.65335	0.2
66.90945	0.2
69.03467	0.3
73.02934	0.3
75.32965	0.2
81.03455	0.2
83.01340	0.3
83.55886	0.2
85.02929	0.7
87.00854	0.5
89.02424	0.7
91.74973	0.2
93.03469	2.0
96.96008	1.8
97.02876	0.2
98.20734	0.5
98.62078	0.2
99.00801	0.4
101.02406	1.0
104.52592	0.3
107.01352	0.7
108.02132	0.4
109.02943	0.3
109.06553	0.9
113.02441	0.5
123.00837	0.4
125.02406	0.4
133.02957	0.4
134.03705	1.0
135.04478	0.7
139.00372	0.6
148.03996	0.3
149.99582	0.3
151.00333	0.9
159.04491	0.3
161.02457	0.6
161.04533	0.3
163.03996	0.5
163.11264	0.5
166.51653	0.2
167.03476	0.4
173.04535	1.3
188.04614	0.3
191.05623	5.2
192.06125	0.4
193.01421	0.3
193.05043	0.5
196.76151	0.2
207.10269	3.3
209.04562	0.3
209.08159	0.2
211.04007	0.6
225.11360	2.2
227.03426	0.8
228.04411	0.3
255.02945	1.2
256.03796	2.4
272.06976	0.4
283.02539	0.7
284.03278	86.5
285.03644	5.0
297.04184	0.4
299.05624	100.0
300.05927	5.6
302.08087	0.4
317.10263	0.6
347.11337	0.9
363.68347	0.3
389.16245	1.2
397.13596	0.7
415.14581	0.6
449.15265	0.4
553.41687	0.3
623.16260	5.1
623.25977	2.7
624.16846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	43.0
62.20719	6.5
63.44684	6.9
69.31619	25.6
69.32043	27.4
71.01393	20.6
72.12811	7.5
73.02953	20.5
76.43746	7.1
76.56409	6.4
83.01391	11.5
85.02961	19.5
93.03465	26.5
96.95994	19.2
101.02429	19.0
102.39689	6.4
113.02396	8.1
119.03452	8.9
119.04250	5.9
122.03752	7.4
122.45999	8.2
127.03939	8.0
135.04559	7.8
137.02461	11.5
149.02414	25.2
150.03250	44.7
153.01942	9.6
164.04733	15.4
165.05614	39.2
167.03488	14.0
173.03226	9.8
173.04527	55.8
186.32402	6.9
191.05620	100.0
195.06610	27.4
198.61351	7.1
207.10374	7.0
225.11342	16.3
229.01692	7.1
275.13873	6.6
311.07578	9.4
327.12460	56.1
339.08524	7.5
449.15161	9.1
457.29590	7.5
471.16940	15.4
495.35132	7.6
579.20490	13.7
623.16241	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	623.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30873	0.7
57.03194	0.9
57.03460	7.0
59.01392	9.2
61.98836	10.0
65.43796	0.7
67.01894	2.7
69.68810	2.1
69.69221	2.0
71.01393	9.0
72.99309	1.5
73.02959	3.0
79.95734	1.5
80.96540	1.2
81.03463	1.2
82.77384	0.8
83.01387	1.5
83.05091	1.4
85.02956	5.5
87.00868	2.1
89.02446	1.2
93.03463	18.1
93.93945	0.7
94.03789	1.0
95.01367	0.8
96.96034	6.6
97.02976	1.4
98.20719	0.9
99.04537	4.8
101.02473	5.1
107.05031	1.2
108.02187	0.9
109.02966	1.1
111.00896	1.6
111.04556	3.9
113.02467	2.5
117.03532	1.0
119.05032	1.5
121.03022	0.9
121.06609	0.9
123.00898	7.3
123.04519	1.0
124.01659	3.2
125.02445	5.4
127.04104	0.8
133.02974	1.6
134.03714	1.1
135.04536	3.7
137.02457	5.7
145.02937	1.4
145.06569	1.3
146.03702	1.7
147.04512	2.1
147.08154	1.2
149.06070	2.2
150.03157	1.1
151.04111	0.8
155.03510	2.7
158.03755	2.1
159.04605	1.2
161.02518	4.2
161.04561	4.1
163.04036	6.1
164.04749	1.0
171.10355	1.1
173.02327	1.7
173.04559	38.3
173.06071	13.2
174.03242	1.0
174.04744	1.0
175.04030	2.5
175.07635	1.5
176.04785	3.6
177.05585	100.0
178.05948	2.9
179.03502	2.0
187.03990	1.9
189.05524	2.1
190.02718	10.8
190.06393	0.9
191.03513	18.0
191.05612	20.9
191.07161	1.8
192.06198	0.9
192.07936	3.1
193.05109	0.9
201.05591	18.0
201.11328	1.4
202.06381	6.2
203.07167	1.4
205.05295	0.8
215.10764	1.0
218.05849	1.6
219.06639	58.0
220.07416	68.3
221.07831	3.2
231.06606	0.8
245.11696	1.1
247.20293	0.8
250.94534	0.9
256.03909	0.9
262.08493	0.9
266.05768	1.0
267.06677	0.9
273.11368	1.1
281.06564	1.0
284.03320	1.1
285.04062	1.9
287.22275	4.4
299.13016	1.8
301.23746	0.9
317.13998	8.4
318.14291	1.2
335.07980	1.1
341.10248	1.3
357.26385	2.0
373.26050	1.4
375.27524	20.5
376.27805	1.6
381.11792	2.7
382.12775	9.0
415.13809	0.9
417.21631	0.9
417.28659	1.2
423.13403	1.9
424.13840	4.5
446.48621	0.8
449.14835	1.3
449.27548	16.6
464.17090	1.4
479.19156	2.8
519.31470	2.6
521.20374	1.9
525.15814	1.5
526.09198	1.5
526.16962	24.2
527.17053	2.0
531.03040	0.8
579.33972	2.4
623.17200	2.3
623.24524	1.3
623.32910	15.2
624.33685	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	623.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.4
58.00584	0.5
59.01378	3.8
61.98838	2.7
69.03447	0.5
69.81688	2.2
71.01382	1.8
71.05042	0.5
73.02934	1.3
74.52547	0.4
75.00869	0.5
78.91879	0.6
85.02955	1.0
87.00857	0.7
89.02459	0.5
93.03471	2.0
96.96017	1.4
97.02932	0.4
101.02438	1.7
109.06605	0.5
111.38621	0.4
113.02458	0.6
123.08183	0.7
125.02467	0.5
135.04535	1.0
141.12886	0.6
149.91953	0.4
151.00372	0.5
153.09215	0.5
155.10815	0.5
157.12340	0.9
161.02484	0.8
163.03880	0.6
169.12350	2.1
171.10294	1.5
173.04614	2.9
179.03510	0.5
182.33730	0.5
185.11870	2.2
187.13379	0.5
187.52802	0.5
191.05640	5.7
199.13351	0.8
201.05550	0.7
215.12892	0.5
219.06732	0.7
283.02362	0.7
285.04034	0.7
317.13864	0.7
329.23267	1.4
355.24756	0.6
357.26483	6.3
373.25867	1.7
374.26312	1.0
375.27524	100.0
376.27881	9.5
384.72815	0.5
389.28931	1.1
417.28558	1.8
472.13522	0.4
487.06006	0.4
503.74457	0.4
579.33685	2.1
582.68640	0.5
623.24011	0.7
623.34814	0.7
646.29779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1785
Annotation	Micrantoside
Peak:m/z	Relative Intensity
54.28538	0.7
59.01384	2.3
71.01407	2.0
81.03464	0.7
89.02448	1.5
93.03465	2.5
96.96014	2.5
97.02960	2.6
101.02473	0.8
102.46679	0.8
107.01396	1.3
111.04519	1.0
119.04858	0.8
121.02943	1.9
122.03761	1.0
125.02457	6.8
133.02936	1.1
134.03795	4.3
135.04568	6.4
136.01639	1.6
137.02423	2.0
149.02451	1.8
149.06082	1.6
150.03253	4.7
151.00349	1.9
161.02490	1.4
162.03217	0.9
163.00383	3.3
164.01173	2.6
164.77068	0.7
165.01964	4.3
167.03426	1.7
173.04594	0.8
174.03253	2.5
175.03976	1.8
176.04759	0.9
177.01921	2.1
178.02689	3.4
191.03848	1.3
191.05629	6.8
193.01416	7.3
199.04033	1.4
200.04791	1.2
201.01942	2.7
201.05403	0.9
202.02765	1.3
204.04259	0.9
206.02226	3.1
209.11818	9.5
210.01691	2.7
211.04095	1.0
213.05725	1.4
217.05014	1.8
219.03059	1.0
227.12892	2.1
240.04234	0.8
241.05119	1.4
242.05888	1.9
243.02956	0.8
255.06717	0.9
256.07462	1.8
257.04700	0.8
257.08081	1.4
259.05975	1.0
266.05893	1.2
281.81531	0.8
284.06943	1.4
285.04031	0.9
286.04865	1.0
299.05685	1.5
299.09024	1.3
300.06342	1.8
301.07224	4.6
313.07239	2.0
317.01129	1.1
324.65082	0.9
328.05743	7.3
343.08218	64.4
344.08517	5.7
367.85895	0.9
373.09335	5.8
374.09744	0.9
397.13367	2.1
406.97989	0.7
415.14615	2.1
421.18698	2.4
463.12485	100.0
464.12759	11.1
505.13861	1.3
606.81000	0.9
616.65417	0.8
652.68732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28538	0.7
59.01384	2.3
71.01407	2.0
81.03464	0.7
89.02448	1.5
93.03465	2.5
96.96014	2.5
97.02960	2.6
101.02473	0.8
102.46679	0.8
107.01396	1.3
111.04519	1.0
119.04858	0.8
121.02943	1.9
122.03761	1.0
125.02457	6.8
133.02936	1.1
134.03795	4.3
135.04568	6.4
136.01639	1.6
137.02423	2.0
149.02451	1.8
149.06082	1.6
150.03253	4.7
151.00349	1.9
161.02490	1.4
162.03217	0.9
163.00383	3.3
164.01173	2.6
164.77068	0.7
165.01964	4.3
167.03426	1.7
173.04594	0.8
174.03253	2.5
175.03976	1.8
176.04759	0.9
177.01921	2.1
178.02689	3.4
191.03848	1.3
191.05629	6.8
193.01416	7.3
199.04033	1.4
200.04791	1.2
201.01942	2.7
201.05403	0.9
202.02765	1.3
204.04259	0.9
206.02226	3.1
209.11818	9.5
210.01691	2.7
211.04095	1.0
213.05725	1.4
217.05014	1.8
219.03059	1.0
227.12892	2.1
240.04234	0.8
241.05119	1.4
242.05888	1.9
243.02956	0.8
255.06717	0.9
256.07462	1.8
257.04700	0.8
257.08081	1.4
259.05975	1.0
266.05893	1.2
281.81531	0.8
284.06943	1.4
285.04031	0.9
286.04865	1.0
299.05685	1.5
299.09024	1.3
300.06342	1.8
301.07224	4.6
313.07239	2.0
317.01129	1.1
324.65082	0.9
328.05743	7.3
343.08218	64.4
344.08517	5.7
367.85895	0.9
373.09335	5.8
374.09744	0.9
397.13367	2.1
406.97989	0.7
415.14615	2.1
421.18698	2.4
463.12485	100.0
464.12759	11.1
505.13861	1.3
606.81000	0.9
616.65417	0.8
652.68732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33446	0.5
69.33844	3.2
73.02958	0.9
86.57001	0.4
96.96016	0.9
98.19865	0.9
98.20551	1.3
134.06107	0.8
136.07683	0.5
141.32648	0.4
191.05647	1.0
197.07181	0.8
198.08018	0.5
209.11826	0.4
211.08852	0.7
213.10320	8.0
214.10693	0.4
215.11911	0.8
218.55711	0.4
237.10283	0.7
239.11891	0.4
267.11429	0.8
299.14093	2.5
314.03259	0.5
314.09457	0.6
327.10165	0.6
327.67114	0.4
328.10974	1.4
333.11545	0.4
340.10876	0.6
341.11838	0.6
342.12433	1.0
356.10330	0.8
357.14874	0.6
358.15897	0.6
370.16013	0.6
383.16162	0.6
384.13547	0.8
385.14310	1.4
398.14969	1.1
405.13428	1.1
406.14929	0.6
407.15317	0.5
416.15744	0.5
418.10571	1.0
419.11087	0.8
419.15961	0.8
420.16693	1.6
421.16672	0.6
432.12326	1.5
433.12842	5.2
434.13470	2.4
435.13867	0.8
435.18878	0.8
439.21332	1.4
445.47705	0.4
447.14435	4.0
448.15448	10.4
449.15988	6.9
450.16705	1.2
462.17432	0.5
463.17792	20.4
464.18292	3.0
465.19342	1.8
473.16232	0.9
475.13757	1.0
476.14987	0.6
477.19781	3.5
478.20370	3.3
479.20911	15.4
480.21240	2.1
490.16214	1.2
491.17264	29.4
492.17450	4.0
503.16983	1.1
505.18701	5.1
506.19543	9.0
507.20337	4.2
519.20410	1.3
520.21350	2.6
523.19818	3.8
525.25232	0.6
537.21649	0.5
538.22260	33.4
539.22772	11.0
540.22986	0.6
561.21228	0.9
593.24109	9.1
594.24341	1.0
625.26703	100.0
626.27045	15.8
626.37482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80464	0.8
55.86530	0.7
61.83008	0.7
61.98846	1.7
62.28314	0.8
64.39499	0.7
69.68598	3.3
69.69009	1.9
73.31521	0.8
88.32433	1.0
96.96017	3.1
98.19926	1.9
103.81651	0.8
105.46041	0.9
116.15705	0.8
122.34953	0.8
134.06169	0.9
136.07687	0.9
147.58449	0.7
152.99664	1.0
191.05617	1.1
213.10391	4.3
221.68544	0.9
239.11842	0.9
267.11359	0.9
277.21704	1.5
291.48080	0.8
299.14001	1.5
328.10971	1.8
358.15823	0.9
385.14215	1.9
398.15439	1.1
420.16513	1.3
433.12888	3.9
434.13684	1.8
447.14874	2.5
448.15399	8.6
449.15979	5.9
450.16525	1.1
462.17822	1.1
463.17792	15.4
464.18359	2.6
466.20154	1.2
477.19336	3.0
478.20218	1.9
479.20966	11.6
480.21674	1.4
491.17285	23.8
492.17682	3.0
505.18951	3.3
506.19565	5.3
507.20407	2.2
519.20398	1.7
520.20935	1.7
523.19934	2.3
524.20514	0.9
537.21466	0.9
538.22284	18.8
539.22784	5.3
593.24243	6.3
594.25000	1.3
625.26697	100.0
626.27087	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14804	0.5
54.98562	0.5
57.03441	0.7
59.01385	16.7
70.37809	2.2
71.01388	13.4
72.99313	1.0
73.02955	2.3
80.02686	1.4
81.03457	1.8
83.01392	1.9
83.05034	5.9
84.02177	1.3
85.02953	3.4
87.00874	2.8
89.02458	11.2
93.03459	2.5
95.01398	1.2
95.05028	0.5
96.96036	1.9
97.02954	2.2
98.20034	0.6
99.00879	1.0
101.02451	12.4
111.04477	0.6
113.02473	4.8
119.03484	4.9
125.02489	3.9
125.06033	0.6
125.91481	0.6
133.02922	0.7
135.04533	1.2
135.08189	1.1
137.02394	0.7
139.04080	0.6
143.03497	2.1
144.77928	0.5
149.04536	0.6
150.03239	0.6
151.00381	0.6
161.02518	0.6
161.04594	2.8
163.11290	4.1
165.05551	0.6
165.12801	2.9
173.04552	2.1
179.05623	2.8
181.12318	1.1
191.05635	7.5
191.10808	1.0
206.54782	0.6
209.11839	100.0
210.12189	5.3
227.12909	17.3
227.15173	1.1
228.13307	0.9
235.08322	4.3
253.09306	2.8
263.07684	0.7
265.49033	0.6
287.07645	1.0
305.08771	1.0
323.09869	1.1
343.08163	2.4
343.11975	0.7
345.43860	0.7
353.86874	0.5
397.13538	25.0
398.13925	1.7
403.14172	1.4
415.14630	16.4
416.14954	1.4
444.81467	0.6
445.20752	0.6
463.12454	2.7
528.61554	0.6
625.15460	2.0
625.27545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70117	0.2
55.01893	0.4
57.03453	0.4
58.00598	0.5
58.02988	0.2
59.01387	23.7
60.01732	0.2
61.98827	0.8
67.01921	0.2
69.03477	0.6
70.85424	0.5
71.01389	12.3
71.05040	0.3
72.99307	1.0
73.02954	11.0
74.02488	1.0
75.00931	0.2
81.03467	0.3
82.02996	0.6
83.01396	3.4
84.04548	2.2
85.02960	3.5
87.00885	1.5
89.02448	3.3
90.73353	0.2
93.03470	0.7
95.01401	0.8
96.96000	1.0
97.02946	0.4
99.00889	0.6
100.04074	0.6
100.07677	1.3
101.02453	9.1
102.05619	33.0
103.05990	0.4
108.02210	0.2
111.08205	0.2
113.02469	3.4
117.03458	0.2
119.03511	0.8
125.02461	0.3
126.14462	0.2
128.03552	64.2
129.02007	0.2
129.03926	1.1
131.03563	0.6
143.03534	0.3
146.04610	8.7
155.03506	0.2
159.02927	0.2
161.02533	0.2
161.04549	0.7
173.04582	0.8
179.03578	0.2
191.05653	1.4
197.11852	0.2
209.08189	0.2
209.11821	0.4
223.17067	0.8
231.21193	0.4
242.94020	0.2
255.02954	0.5
256.03204	0.3
274.73181	0.2
275.20175	4.0
276.20511	0.3
277.21732	1.7
283.02298	0.2
293.21255	1.9
360.25470	1.7
362.26993	0.6
378.26385	0.5
386.23679	0.3
404.24512	1.1
406.26123	1.3
437.25406	1.6
455.26535	3.9
456.26639	0.4
497.27573	27.2
498.27911	3.1
522.30542	0.3
530.10431	0.3
540.31329	0.8
566.29401	0.4
582.32904	2.2
584.30817	0.5
608.30774	10.0
609.31232	1.4
626.31830	100.0
627.32190	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	627.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24018	0.3
55.42392	0.3
55.87955	0.3
57.03455	0.4
59.01384	7.3
61.98827	0.7
68.21759	0.3
71.01389	1.8
71.55170	0.4
72.99316	0.5
73.02956	0.8
79.95744	4.7
80.96522	3.7
82.95422	7.7
83.01396	0.5
85.02946	1.7
87.00887	0.9
93.03458	3.2
94.98082	0.6
96.96017	100.0
101.02455	1.3
103.00383	4.5
106.10622	0.3
109.03001	0.6
111.04528	0.4
113.02464	0.8
119.05058	0.4
121.02944	0.4
122.97616	0.5
125.02444	0.7
127.04066	0.3
133.02979	0.9
134.03760	1.0
134.97604	1.8
135.04561	0.9
137.02422	0.8
138.97099	1.1
146.07584	0.3
150.97034	0.3
151.00388	0.6
151.04042	0.4
152.98624	4.6
152.99748	0.4
161.02475	1.9
163.03983	0.4
164.98692	0.3
165.01985	1.6
173.04539	2.1
175.03978	0.4
177.02005	0.4
179.03505	0.8
180.04306	0.6
180.98146	1.1
191.05608	9.4
193.05009	0.4
194.99741	0.6
195.06671	0.4
221.09737	2.8
222.10114	0.5
222.99225	1.3
223.11375	0.7
225.00812	0.6
225.07681	0.6
227.03552	0.4
241.00244	40.8
242.00577	0.8
252.77971	0.4
255.02945	0.4
256.03815	1.1
265.08682	1.3
267.10278	1.9
282.98062	0.5
283.01297	16.5
284.03293	21.7
285.03735	1.2
299.05615	25.0
300.05954	1.8
309.03989	0.6
323.05679	2.2
327.00296	2.2
335.07858	0.4
347.13065	0.3
357.13467	0.4
358.94211	0.3
381.10184	0.3
391.11417	0.4
401.12424	0.4
427.13980	2.1
429.15253	0.6
435.10846	1.0
522.33777	0.6
523.05713	0.8
541.06592	37.1
542.06995	3.3
543.15210	1.2
583.07758	14.5
583.16284	2.5
584.07678	1.7
591.17059	1.8
609.05463	1.0
618.17926	0.4
627.06708	11.1
627.16107	1.5
627.26086	3.5
628.07141	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	627.2115
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01385	0.8
70.09058	3.1
71.98302	0.7
73.02927	1.4
117.72113	0.7
131.43146	0.6
160.36604	0.7
191.05687	3.3
247.42316	0.7
435.73975	0.7
438.13129	1.2
448.14813	1.1
449.15479	0.7
451.14063	2.1
452.14908	4.6
464.17636	1.2
465.17795	0.9
469.11313	0.8
481.14981	9.3
481.21036	1.2
482.15598	1.1
492.17358	1.8
493.16940	1.5
495.16840	20.0
496.17264	3.9
507.19302	2.2
508.17749	1.5
509.18381	1.3
512.13129	1.4
521.13855	0.8
523.20398	0.8
526.14496	1.2
533.17883	0.8
535.15881	2.3
536.16595	3.3
539.14862	1.7
539.22284	2.0
540.15839	3.0
540.22711	2.4
541.23059	1.0
551.19415	45.0
552.19604	7.0
555.18188	1.0
567.18408	1.1
568.15466	0.9
572.15076	3.5
586.16565	2.1
595.18152	11.0
596.18677	0.9
626.26489	2.4
627.20618	100.0
628.21118	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	627.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20150	0.8
59.01388	62.1
66.12289	0.9
69.37582	2.1
69.37994	5.5
71.01373	1.4
72.31361	0.8
75.71552	0.9
85.02959	1.0
87.00910	1.2
93.03461	2.4
96.96021	4.1
115.58842	0.9
121.02953	3.7
122.03773	5.5
149.02452	24.2
150.03247	52.0
151.03670	2.2
161.02440	7.8
164.04782	7.2
165.05582	73.8
166.05908	3.1
176.04810	4.3
179.03508	10.4
180.04308	5.3
191.05602	6.6
191.07144	2.1
194.05855	12.1
195.06635	100.0
196.06998	4.5
209.08205	40.0
210.08539	1.4
224.66696	0.9
342.11240	5.2
357.13455	43.1
358.13751	4.8
405.10492	1.2
405.15607	24.2
406.15775	2.9
615.39465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13353	0.2
56.72509	0.2
57.13242	0.3
59.01387	1.6
60.29904	0.2
65.55067	0.2
71.01384	1.3
72.01653	0.2
79.95744	8.3
85.02930	0.4
89.02458	0.9
93.03493	0.4
95.95226	0.3
96.96023	100.0
97.95964	0.3
98.20677	0.6
101.02470	0.6
110.97583	1.0
113.02477	0.6
119.03471	0.3
135.04555	0.6
137.02464	0.3
167.03488	0.9
173.04550	0.4
179.03497	0.6
181.00627	0.2
181.05110	0.3
191.05640	1.2
208.03905	0.3
221.04759	0.2
223.06056	0.3
229.29814	0.3
253.24858	0.2
284.03311	0.4
299.05777	0.4
324.10303	0.3
326.11554	0.4
451.10681	3.8
629.15466	44.7
630.15839	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	631.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.1
60.40518	0.1
65.35487	0.1
71.01385	1.0
73.02936	0.2
83.01395	0.1
85.02963	0.6
87.00889	0.1
89.02428	0.2
93.03464	0.3
96.96031	0.7
98.19901	0.2
101.02441	0.4
113.02451	0.4
113.21078	0.1
130.84424	0.1
136.52550	0.1
138.98077	0.1
143.03520	0.1
159.03133	0.1
161.04544	0.6
173.04527	0.2
191.05591	0.6
207.08073	0.2
221.09746	0.3
222.10455	0.4
235.07578	0.2
235.11322	0.7
236.12016	0.4
247.07597	0.2
248.08401	0.8
249.09206	1.8
250.09982	2.1
251.10481	0.1
261.09293	0.1
262.09982	0.1
263.07874	0.2
263.10785	13.7
264.11496	4.2
265.12344	100.0
266.12689	7.3
289.12268	0.2
290.96338	0.1
295.09775	0.1
307.13376	0.2
319.13434	0.1
347.16837	0.1
353.49069	0.1
409.16592	8.5
410.17001	0.9
427.17581	1.5
444.81650	0.1
469.18671	7.0
470.19128	0.8
557.45740	0.1
631.14874	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01208	2.9
59.01368	6.4
61.98833	7.2
68.99564	5.8
69.30457	20.9
69.30869	7.3
73.02940	11.4
75.00878	8.9
75.18921	2.8
76.84060	2.9
99.00883	12.7
99.92585	13.3
112.82353	3.3
112.98550	4.3
115.03973	4.8
116.07181	8.1
116.92872	100.0
116.97273	25.9
117.01978	19.2
117.05581	9.7
117.66021	3.3
128.73170	3.3
136.47044	3.6
277.21851	5.0
374.08658	3.5
522.87659	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	632.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13874	0.3
56.73990	0.3
59.01387	0.7
61.98845	1.4
64.58452	0.3
71.01383	0.4
79.95743	8.2
80.96526	3.3
85.02956	0.4
93.03485	1.0
95.95230	3.0
96.96024	100.0
97.92165	0.3
98.20674	0.6
99.40456	0.4
110.97576	0.5
112.93732	0.5
119.05060	0.8
120.01260	5.0
121.02956	1.2
122.97572	1.2
128.03503	0.4
135.04524	0.8
137.02475	0.4
149.02457	5.2
152.01169	1.6
161.02585	0.5
163.02863	0.4
163.04034	2.4
164.04813	3.3
165.01891	0.9
167.03506	0.4
169.05095	0.8
173.04558	0.5
177.01996	1.8
179.03499	0.8
179.07181	1.0
180.04211	0.3
191.05621	2.6
192.04317	2.8
192.99734	0.4
193.01398	4.1
193.05026	1.7
207.06622	3.1
208.02005	0.5
208.03778	7.6
223.04210	0.7
223.06155	7.9
224.06393	0.3
241.05342	1.2
249.17564	0.3
274.01566	1.0
275.02341	0.9
288.03061	0.9
289.03915	19.3
290.04199	1.1
321.01099	10.1
322.01349	0.5
387.14841	0.3
408.04367	6.6
409.05057	0.5
459.00699	0.3
461.37875	0.3
545.07831	1.4
595.33673	0.3
632.11023	16.0
633.11090	1.7
639.61151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80021	2.8
55.38490	2.8
56.43098	2.7
58.32086	2.7
59.01376	18.0
67.01884	3.1
69.81151	14.9
71.01395	14.8
78.95889	3.1
79.95752	8.3
85.02946	9.6
87.00869	7.2
88.98819	7.6
93.03468	27.0
96.96022	100.0
98.20617	4.0
101.02473	5.5
109.02963	2.9
111.04467	3.8
113.02461	5.6
119.04980	2.8
125.02479	4.1
128.03557	4.2
133.03050	2.7
135.04512	11.5
137.02475	8.7
146.03728	4.7
151.00369	6.1
152.01138	4.7
161.02423	12.2
163.04065	3.3
167.03441	6.1
171.10249	15.9
173.04544	34.5
179.03513	6.5
181.05080	3.8
181.10030	3.4
191.05632	86.6
192.06020	7.1
195.06444	3.6
201.11238	4.5
209.11856	2.9
253.09395	4.3
255.02956	5.5
284.03299	73.4
285.03839	4.7
299.05643	90.0
300.05948	7.2
332.08286	3.4
443.01373	3.3
536.15424	3.2
563.13733	3.1
633.16370	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	635.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
60.99305	0.9
67.01900	3.0
67.17297	0.4
69.03456	0.5
70.84721	1.0
71.01390	2.0
79.68537	0.5
83.05026	0.8
85.02963	7.1
87.00894	4.8
93.03468	18.7
94.03808	0.7
109.02973	0.9
111.04545	2.5
127.04024	1.6
133.02963	1.4
134.03760	0.5
135.04538	21.4
137.02431	1.3
155.03513	0.7
161.02423	5.3
165.94196	0.4
171.03035	0.7
173.04550	6.5
179.03514	23.7
180.03915	1.0
191.05627	100.0
192.06003	2.8
226.06335	0.4
235.35150	0.4
241.08737	1.4
281.06628	0.6
327.06967	0.4
353.08649	3.7
353.11710	0.3
388.24060	0.5
443.09882	0.9
461.10623	2.4
576.18481	0.5
635.16217	55.2
636.16364	6.2
643.77374	0.5
659.17389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99827	0.3
57.03456	0.6
59.01109	0.6
59.01387	7.3
67.01899	3.6
68.72876	0.3
69.03453	0.7
71.01385	4.7
71.54196	0.8
73.02973	1.2
81.03461	0.8
83.01418	0.6
83.05021	0.7
83.51275	0.4
85.02955	2.2
87.00888	0.8
88.73886	0.3
89.02444	2.0
93.03470	23.1
93.35095	0.4
94.03761	0.5
96.96005	2.1
101.02435	2.1
107.05048	0.4
109.02970	0.4
111.00897	0.9
111.04525	4.1
113.02451	2.0
117.03501	0.4
119.03506	1.1
125.02481	0.5
127.03997	0.6
128.03528	0.5
133.02983	0.6
134.03767	1.3
135.04539	75.3
136.04865	2.9
137.02455	7.2
143.03439	0.5
155.03516	3.5
161.02487	1.3
161.04634	1.0
161.89795	0.4
173.04562	49.2
174.04884	1.5
179.03514	100.0
180.03838	3.5
191.05635	11.5
200.12982	0.4
225.57764	0.4
250.10060	0.6
269.30429	0.4
281.06662	5.3
339.08853	0.4
353.08765	2.9
395.11459	0.7
417.11938	2.0
443.09598	0.4
461.10947	25.1
462.11258	2.1
531.24414	1.0
549.25812	0.5
635.16144	16.1
636.16687	1.8
636.32825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55714	0.6
52.40131	0.6
59.01388	3.6
59.94493	0.6
67.01897	2.4
69.24104	1.6
69.24507	4.1
71.01061	0.6
71.01398	3.7
73.02950	1.8
78.03430	0.7
81.68333	0.6
83.05025	0.9
85.02959	12.1
87.00893	4.1
89.02421	0.7
91.04021	0.8
93.03463	14.7
96.51517	0.6
96.96020	3.6
99.00911	0.6
99.76903	0.7
101.02452	1.5
109.02964	1.7
111.00793	0.6
111.04539	3.3
113.02444	0.9
117.03486	0.8
127.04031	2.2
128.83400	0.7
131.46289	0.6
133.02974	8.7
135.04541	16.7
137.02466	7.7
151.00368	0.8
160.01666	1.1
161.02454	47.2
162.02744	1.9
171.02972	0.8
173.04564	3.1
179.03514	11.5
180.03986	0.7
191.05626	100.0
192.05821	3.1
226.06375	10.3
241.08705	11.4
255.06482	0.9
268.43863	0.6
281.06674	6.4
288.17239	0.7
333.08221	2.0
353.08960	4.1
358.31183	0.7
358.81485	0.6
395.09354	0.8
399.10724	0.7
417.11731	0.8
443.09839	42.5
444.10156	5.4
461.10742	0.7
515.13782	2.2
524.74390	0.7
581.21490	0.9
635.16174	36.8
636.16321	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	635.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46230	0.3
57.03428	0.4
57.36982	0.3
59.01383	5.1
71.01385	3.8
73.02946	1.0
79.95734	0.9
83.01352	0.4
85.02973	2.0
89.02476	0.4
92.57617	0.3
93.03475	1.6
96.96021	5.7
98.02464	0.4
99.00892	0.5
101.02434	2.1
111.04577	0.3
113.02428	1.1
119.05058	0.4
121.02972	0.4
128.45013	0.3
133.02953	0.5
134.03809	0.6
134.06192	0.5
135.04564	1.7
137.02423	0.5
139.03992	0.3
143.05000	0.4
145.02940	0.5
152.01195	0.3
158.10399	0.3
159.04486	0.4
161.02495	0.7
161.04607	1.7
173.04533	1.3
179.03540	1.7
180.32455	0.3
190.05086	0.5
191.05661	3.9
193.05043	0.4
197.05989	0.7
225.05571	2.0
226.06367	75.2
227.06721	3.5
238.06276	0.7
240.07950	0.4
241.08717	100.0
242.09058	6.9
251.07129	1.8
252.07835	0.8
253.08708	0.7
267.10220	0.7
269.04495	0.5
275.09299	0.5
279.06647	0.9
280.07501	1.9
281.58771	0.3
289.07343	0.4
295.09750	3.4
297.04102	0.5
299.05368	0.3
339.08600	2.0
369.13400	3.0
395.11362	3.0
396.11874	0.5
413.12411	1.7
473.18140	0.8
559.19836	0.5
575.17969	0.7
591.21735	0.6
635.17578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01386	26.0
67.01855	0.7
71.01382	3.0
71.01741	0.7
71.53928	0.7
72.99316	0.8
73.02943	1.4
76.57427	0.6
78.80007	0.6
83.05019	0.7
85.02963	2.1
85.94264	0.6
88.98819	0.7
93.03466	4.3
96.96011	3.2
101.02437	1.3
111.00825	0.9
111.04475	0.8
112.86703	0.9
113.02490	0.8
125.09727	1.4
127.04051	0.7
128.03522	0.9
133.02954	1.1
135.04504	2.1
161.02435	1.0
163.04016	1.4
171.10291	21.1
173.04549	3.3
187.07692	0.9
187.09628	0.8
191.05643	12.8
193.05186	0.8
196.94827	0.8
201.11272	4.3
209.11859	12.6
227.12921	2.4
235.08253	1.3
253.09203	1.6
255.03006	71.6
256.03345	4.4
268.03824	0.7
283.02512	32.1
283.24030	0.8
284.03128	5.6
285.03983	1.5
326.04346	1.2
329.23517	1.9
381.09824	100.0
382.10150	7.8
399.21866	1.0
407.19281	0.9
413.12448	91.6
414.12790	9.7
446.08575	16.7
447.09158	2.3
543.15393	2.4
626.97351	0.8
635.30951	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	635.2518
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
51.68126	0.7
61.98838	11.0
69.21029	5.5
69.21435	1.3
78.95906	6.8
89.23235	0.6
98.19911	1.2
103.88199	0.8
118.85712	0.7
131.46700	0.8
150.29433	0.8
152.99600	5.0
255.23340	3.8
261.50174	0.7
399.14063	0.9
419.18704	1.8
430.14240	2.3
431.18683	3.1
445.16687	3.1
458.17575	2.4
459.13940	1.2
459.18829	1.3
473.15076	1.3
473.21127	3.9
474.16745	7.2
475.17398	4.1
487.17905	1.8
488.18460	5.8
489.19174	6.1
490.20499	5.4
501.19687	1.6
505.22772	4.2
527.21405	0.9
549.21167	3.6
550.21289	1.1
559.23657	1.7
561.21106	1.2
575.22998	14.8
576.23718	9.2
577.24487	0.9
592.23645	0.9
603.22662	1.7
635.25153	100.0
636.25464	17.3
636.35077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57385	0.6
57.03446	1.2
59.01112	1.1
59.01387	14.9
60.61359	0.6
67.01903	6.0
69.03461	1.4
71.01386	11.1
73.02952	4.2
79.46775	0.6
81.03455	1.6
83.01383	0.9
83.05041	1.7
83.18430	0.6
85.02951	3.4
87.00876	1.8
87.04498	0.9
88.98832	0.9
89.02443	2.9
93.03468	37.6
94.03813	0.9
95.01381	1.0
96.96030	7.7
99.00888	1.0
101.02470	4.1
109.02955	0.9
111.00890	0.7
111.04533	6.4
113.02468	2.4
119.03468	1.2
127.04017	0.9
133.03085	0.6
135.04546	1.1
137.02460	6.8
155.03496	6.4
161.02499	0.8
171.10271	1.4
173.04558	100.0
174.04927	3.2
178.99904	0.9
179.03450	1.0
191.05641	7.7
195.13911	4.3
209.11971	0.8
213.14978	1.7
229.66806	0.9
235.99684	0.7
254.02110	0.8
269.04584	2.3
297.04044	1.7
298.04782	0.9
299.05710	0.8
314.07922	0.7
329.10345	0.8
357.19342	1.5
375.20190	6.1
395.11456	6.4
396.11612	0.6
413.12411	2.8
417.21350	36.4
418.21759	2.1
460.10306	1.7
524.53809	0.7
549.25494	0.8
591.26599	28.7
592.27386	3.1
650.42065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
59.01387	47.8
60.99302	0.9
63.81019	1.1
67.01911	1.2
69.03469	1.3
69.27284	0.8
70.06107	1.9
70.06487	2.3
71.01391	24.9
71.23987	0.8
72.99347	1.6
73.02953	17.0
80.83250	0.9
81.03487	1.1
83.01408	5.3
83.05016	2.1
85.02941	7.5
87.00885	5.3
88.98822	1.7
89.02446	10.1
93.03473	15.1
95.01392	2.5
96.96027	8.1
97.02987	1.4
98.19905	1.1
99.00922	1.6
101.02450	18.9
102.51715	1.1
105.71210	0.9
111.04527	7.4
113.02473	9.3
119.03524	3.5
125.02445	0.9
127.04055	1.6
128.03554	1.6
130.87314	0.8
133.02914	0.9
135.04567	2.1
137.02477	3.5
155.03535	8.1
161.02435	1.6
168.54704	1.2
173.04553	35.4
174.04944	1.4
179.03471	1.5
183.13806	1.6
191.05606	13.3
195.12285	1.7
195.13927	16.5
208.83508	0.9
213.14969	6.3
269.04672	2.4
297.04056	1.4
298.04938	1.2
357.19116	6.3
375.20239	25.9
376.20584	2.2
395.11337	9.3
413.12399	2.9
417.21335	100.0
418.21649	7.5
455.68649	1.0
549.26129	1.7
591.26355	46.1
592.26794	5.8
635.32318	1.9
660.21741	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	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.9
59.01386	100.0
59.10215	1.7
60.01717	1.5
68.03366	1.6
69.52286	2.1
69.78323	9.2
70.57613	1.8
71.01390	38.9
73.02949	6.8
82.93729	1.5
83.01395	4.4
85.02956	15.3
87.00900	5.2
89.02456	34.2
90.60181	1.9
93.03468	15.5
95.01376	5.2
96.96011	6.4
101.02463	17.8
101.52132	1.7
104.49226	1.5
105.52761	1.7
111.12240	1.8
113.02463	27.8
119.03501	12.4
125.02482	1.7
131.03511	1.7
134.93521	1.6
135.04559	27.0
137.02431	15.2
143.03513	4.0
155.03549	3.2
161.02454	2.8
161.04564	9.6
173.04570	43.3
179.03540	22.2
179.05603	7.2
186.37657	1.8
191.05684	6.4
234.06874	2.7
249.09227	5.3
250.10011	59.2
251.10408	4.3
311.07733	18.0
369.19254	3.3
413.16034	45.1
414.16251	5.5
461.10980	4.7
473.11557	9.7
531.24500	48.7
532.24817	5.8
549.25671	32.7
550.25647	3.8
591.26465	4.9
635.15796	4.8
637.37476	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	636.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35431	0.8
69.58154	4.1
71.01361	1.3
72.92248	0.9
75.27247	1.0
79.95744	10.4
80.96532	5.9
89.27539	0.9
95.95255	4.0
96.96021	100.0
98.19826	1.0
112.93771	1.6
119.30048	0.9
120.01272	10.7
122.97559	1.8
149.02464	5.8
151.03978	1.0
164.04803	8.1
174.20004	1.0
177.01888	2.2
178.02608	1.0
179.03529	1.6
179.07127	5.8
191.05551	2.6
192.04269	3.2
193.05046	3.0
196.01979	1.5
207.06612	3.6
208.94408	0.9
211.04359	1.7
220.09795	1.2
241.05495	2.1
255.73647	0.9
274.01703	1.8
275.02219	1.0
288.03125	3.1
289.03888	16.3
290.04221	1.7
321.01105	10.4
408.04260	2.3
444.73560	1.0
497.80829	1.0
549.11230	8.7
550.11237	1.1
575.12213	1.1
636.14319	41.9
637.14099	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	636.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.90767	0.6
71.16341	0.6
71.16677	0.7
77.92716	0.7
78.95902	3.2
88.16681	0.6
128.72086	0.5
131.26915	0.6
139.41353	0.5
152.99646	1.6
171.10249	3.3
172.10645	1.0
238.73299	0.6
253.21860	0.8
255.23401	1.4
256.23584	1.1
274.71600	0.6
305.24008	0.6
399.14600	1.2
400.14713	1.6
636.36102	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	637.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26134	0.3
59.01389	2.5
61.57877	0.4
64.51381	0.4
68.99826	0.5
69.61432	2.5
71.01393	4.3
72.01741	0.4
73.02937	1.3
76.18066	0.4
83.01385	0.9
85.02977	2.1
87.00877	0.6
89.02455	0.5
93.03465	19.3
94.03811	0.8
95.01397	0.8
96.96025	2.1
96.99326	1.0
100.98486	0.4
101.02460	2.8
108.02193	1.8
111.00893	0.8
113.02450	2.3
117.03463	0.4
119.05031	0.9
121.03000	2.2
123.04588	0.6
133.02957	1.0
134.03755	36.9
135.04327	0.9
136.01651	1.4
137.02457	38.4
138.02805	1.1
139.04048	1.8
145.02948	2.8
147.04526	1.1
149.06093	14.7
150.03252	0.9
150.06453	0.6
151.03958	0.8
152.01140	2.2
160.01724	0.5
161.02414	0.6
161.04579	0.4
163.04030	0.9
167.03523	3.3
173.04556	1.2
175.04042	0.8
176.04785	1.6
178.02725	25.0
179.03459	1.8
191.03606	0.7
191.05583	2.1
191.07166	0.9
193.05069	57.1
194.05385	2.6
203.03522	0.4
221.04562	0.5
235.06102	2.1
281.06686	16.0
282.06915	0.7
282.46420	0.5
307.08289	2.1
313.07303	0.5
382.81018	0.5
431.13855	0.5
475.12485	100.0
476.12866	9.6
517.13550	5.3
533.25293	0.8
637.17773	3.1
638.17871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.6
59.01383	9.2
71.01392	3.7
71.52909	0.5
72.00921	0.9
72.72149	0.4
82.02996	1.3
85.02944	1.0
85.06245	0.5
89.02444	5.6
94.03793	0.5
101.02451	2.8
102.78324	0.4
111.11044	0.4
113.02457	1.9
116.04602	0.4
119.03538	2.3
122.02509	0.7
127.05145	1.3
128.03572	2.6
133.05113	0.6
165.99139	10.8
167.11836	1.0
173.04544	0.5
183.01781	19.7
184.02112	0.5
227.00729	0.7
251.08046	100.0
252.08382	4.7
295.07025	42.6
295.10379	27.0
296.07431	3.2
296.10724	1.0
319.63120	0.4
367.08084	0.4
397.58521	0.4
400.53891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
58.00581	0.9
59.01389	29.0
59.01693	1.3
63.28263	0.7
65.31474	0.6
66.87005	0.7
71.01392	15.7
71.53139	0.9
72.99306	1.2
73.61617	0.6
75.00866	0.8
83.01382	1.3
85.02968	3.0
87.00873	0.8
89.02455	22.5
95.01421	1.1
101.02454	12.8
113.02457	7.0
115.00362	1.1
119.03504	9.3
122.02475	1.4
133.01440	2.1
133.05040	0.9
134.72302	0.6
153.01910	0.9
183.01872	0.7
237.06190	0.7
251.08057	8.3
287.43500	0.8
293.96692	0.7
295.10352	100.0
296.10547	5.1
296.61038	0.7
309.40338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
69.03440	0.9
70.53386	1.7
70.53755	2.0
71.01387	6.2
78.95912	3.1
78.98588	3.9
79.95741	5.6
80.96525	41.4
85.02964	1.6
87.00872	1.8
94.98093	9.9
96.96015	1.0
97.02943	1.3
101.02412	1.2
106.98109	2.6
107.54119	0.8
111.73849	0.9
122.97581	1.9
125.02445	1.5
127.04102	0.9
134.97568	2.9
136.99083	1.5
138.97174	0.9
148.99155	3.6
152.98546	4.1
152.99710	1.5
164.98633	9.7
206.99724	1.5
220.75233	0.9
225.00760	13.2
255.23384	1.5
266.50125	1.0
299.04388	10.5
318.98273	0.8
399.14200	1.1
555.28461	100.0
556.28809	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	637.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67180	11.6
59.01373	50.3
61.98808	19.7
66.75423	9.6
71.01379	17.8
80.77106	9.9
80.96510	15.9
84.13194	10.4
87.00867	10.6
89.02452	40.1
101.02470	29.1
104.54259	11.2
113.02462	23.6
119.03526	21.9
135.74124	10.1
136.30205	13.4
138.73430	11.1
161.62912	10.2
179.05501	26.9
196.84808	10.7
201.05791	11.0
236.69411	12.7
236.71838	12.6
238.97394	10.7
247.81949	11.2
277.21741	100.0
280.85599	12.4
309.20712	14.4
323.09866	33.9
327.21899	16.6
341.10886	61.3
577.26990	31.4
601.32251	31.5
616.24622	13.8
637.30878	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	637.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
59.01385	11.0
61.98835	4.6
65.03973	2.4
67.01891	1.3
69.03461	2.0
69.70313	2.7
69.70719	1.6
71.01388	10.9
72.99307	0.9
73.02948	2.5
80.96515	1.2
81.03460	1.2
83.01389	0.9
83.05016	1.0
83.55630	0.7
85.02958	2.8
86.00106	0.9
87.00887	4.3
89.02455	4.1
90.94112	0.7
91.04000	0.7
91.05515	1.3
93.03452	5.3
95.05058	1.2
96.96016	0.9
97.06596	2.2
101.02458	6.8
107.05022	0.8
109.06594	1.7
113.02480	4.7
115.05522	1.8
117.07125	1.3
119.03464	1.4
119.05050	1.9
123.08154	1.0
125.09722	10.9
131.05009	0.8
131.08669	1.0
135.08147	2.1
145.05069	3.0
161.04596	1.4
163.11343	1.4
171.10332	1.5
173.04532	2.3
185.11826	3.2
187.09790	0.7
187.14928	5.0
191.05611	6.0
191.10767	1.4
195.11873	1.4
205.12410	1.1
207.10262	3.7
209.11835	16.9
213.12801	5.1
215.07162	0.9
225.11308	1.3
231.13889	12.3
232.14125	0.9
233.11740	2.1
235.08197	2.6
249.14983	2.6
253.09265	2.4
261.15045	0.8
339.23212	2.7
353.69199	0.8
357.24622	1.8
365.21204	1.9
373.07166	0.9
373.23831	1.5
383.22333	12.7
384.22855	1.9
391.25031	1.1
401.23325	15.2
402.23740	1.4
419.24423	4.1
445.20923	1.1
522.76190	0.8
619.31281	100.0
620.31592	14.6
637.32385	17.0
638.32642	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	637.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33610	0.9
69.88271	2.3
69.88682	3.2
78.95914	22.4
79.95731	1.1
83.63959	0.9
96.96034	1.3
96.96983	2.2
98.20580	1.2
127.11327	1.3
152.99606	17.8
167.91583	1.0
171.00648	3.9
171.10287	62.6
172.10614	2.7
255.23314	100.0
256.23645	7.2
307.09552	4.2
381.13046	2.5
399.14279	2.4
465.26175	1.0
483.75497	1.1
501.47003	1.0
531.54510	1.0
562.67871	1.3
562.84741	1.1
637.37256	49.9
638.37659	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	638.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79288	0.2
59.01379	0.7
61.98835	100.0
62.98520	0.2
64.35742	0.2
71.01395	0.4
72.70970	0.2
73.02959	0.2
80.13194	0.2
85.02956	0.3
88.35329	0.2
88.56290	0.2
93.03456	0.5
96.96039	0.8
141.23936	0.2
173.04588	0.6
191.05656	0.9
226.06392	1.8
227.04724	0.3
227.06647	1.5
228.06992	0.8
229.07111	0.2
241.08699	2.0
242.09032	2.5
243.09308	1.3
244.09731	0.4
344.33899	0.2
391.27338	0.2
402.58337	0.2
595.33893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.2
61.98837	100.0
64.61072	0.4
78.95918	4.9
83.60552	0.4
94.07542	0.3
96.96986	0.3
116.84509	0.4
152.99596	2.8
179.10785	1.0
190.86218	0.4
197.11928	3.0
209.11884	0.6
210.12244	0.5
225.11707	0.4
247.76738	0.4
255.23389	1.8
256.23785	1.7
277.21783	3.3
278.22144	0.5
315.14590	0.7
324.94189	0.4
339.19315	0.4
351.37747	0.4
351.56989	0.4
405.46158	0.4
409.83765	0.4
492.06744	0.5
575.35938	8.1
576.36530	1.0
620.36853	1.7
638.26331	1.2
638.37860	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
65.00335	0.9
65.17577	0.5
69.21497	2.9
69.21910	1.4
74.61474	0.5
93.03471	0.6
96.96033	1.6
107.01439	1.1
108.41546	0.6
116.60717	0.4
132.02208	0.9
133.02980	3.3
134.03735	1.7
134.04762	0.4
136.01698	1.2
137.02493	0.7
143.20746	0.5
149.02469	1.7
151.00415	3.2
151.03909	0.7
162.02866	0.5
173.04572	0.8
175.04047	1.6
179.12947	0.4
183.04430	0.6
191.05556	2.1
197.06117	0.5
199.04018	1.2
201.01976	0.4
211.04085	0.8
217.04971	1.2
227.03523	0.6
239.03381	0.5
240.04309	1.0
241.05048	1.0
243.03006	1.5
255.03018	25.9
256.03772	16.4
257.04388	0.9
267.03009	0.6
268.03635	0.9
269.04398	0.6
271.02719	1.0
281.04388	0.5
282.97852	0.8
283.02499	36.9
284.03271	80.5
285.04034	72.1
286.04410	4.9
296.03168	1.1
297.04196	0.9
313.03455	0.9
327.05179	0.7
329.13715	0.8
433.09268	21.0
434.09930	2.8
446.08578	5.2
447.09207	3.9
475.10391	1.0
547.11505	0.5
595.14594	100.0
596.14917	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	639.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.6
61.98837	1.6
63.02398	0.4
65.00345	0.7
79.95708	0.6
85.02950	0.7
93.03474	2.2
96.96019	3.6
98.20767	0.6
105.03508	0.3
107.01411	1.2
109.02945	0.4
111.04535	0.6
121.02961	0.5
125.02468	0.7
132.02217	0.6
133.02965	4.0
134.03770	1.8
135.04491	0.4
136.01662	0.9
137.02464	1.6
147.04530	0.4
149.02472	1.6
151.00369	3.9
151.03983	0.5
161.02429	1.2
163.00392	0.4
173.04568	2.3
173.05833	0.4
175.04051	1.6
175.07703	0.5
177.01857	0.4
179.03511	0.5
191.05630	4.7
199.04010	1.6
201.01930	0.5
215.03380	0.4
216.04436	0.6
217.05045	1.3
217.22928	0.4
217.28856	0.3
227.03546	1.3
237.12093	0.3
239.03447	0.4
240.04347	1.1
241.05125	1.2
243.03036	1.4
255.03003	26.8
256.03760	17.0
257.04330	1.1
268.03735	1.0
269.04443	0.8
282.97986	0.5
283.02505	37.5
284.03271	82.2
285.04041	70.9
286.04388	4.2
295.02637	0.5
296.03244	0.7
297.03998	0.8
298.04727	0.5
313.03430	0.6
327.05072	0.5
329.14023	2.0
390.07214	0.7
414.12723	0.9
432.08267	0.4
433.09290	22.4
434.09665	2.7
445.07864	0.5
446.08563	6.2
447.09265	5.2
448.10248	0.6
475.10733	0.6
487.09299	0.5
547.11310	1.0
595.14594	100.0
596.14899	14.9
639.21588	0.8
640.20428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37606	1.4
55.48714	1.3
57.03452	1.4
59.01382	7.9
61.96942	1.4
61.98833	5.6
65.00327	4.2
71.01393	3.9
71.53674	1.7
71.54086	2.2
72.67477	1.5
78.25223	1.4
83.01389	2.2
83.38612	1.3
85.02963	6.1
87.00885	3.3
88.98795	1.8
89.02406	1.4
93.03486	8.0
96.96027	16.8
101.02455	3.2
101.09100	1.3
104.96975	1.3
107.01395	6.3
107.09129	1.2
108.02202	2.6
109.02953	6.0
112.67168	1.3
113.02450	2.2
125.02420	2.5
127.78064	1.4
133.02946	4.2
134.03719	1.8
135.04517	4.8
137.02455	3.1
149.02428	2.3
149.06142	3.7
151.00377	23.1
151.20810	1.6
152.01180	2.0
161.02425	3.8
161.06097	1.7
165.01906	2.4
173.04536	5.8
175.04016	2.6
177.05626	3.3
179.03577	1.8
189.05563	4.8
191.05626	26.0
192.05988	2.5
199.04036	2.3
207.06529	1.5
227.03560	1.6
240.04305	2.3
249.05586	4.1
253.04996	2.7
255.03015	49.4
256.03748	11.6
265.04993	5.2
266.05865	8.5
267.06564	3.8
269.04578	3.7
281.08270	4.3
283.02530	51.7
284.03250	45.8
285.04056	36.9
286.04306	2.8
295.02539	2.3
296.03323	4.6
297.04071	8.1
298.04605	2.4
306.37164	1.5
308.03226	8.5
309.03885	7.6
323.05634	11.7
373.07196	1.6
389.06573	3.5
391.26996	15.3
401.06564	3.4
417.06192	7.8
418.06848	10.3
419.07260	1.9
432.08676	2.9
433.09317	89.4
434.09772	8.8
440.93637	1.5
446.08578	14.5
447.09192	10.8
449.16443	1.5
595.14636	100.0
595.30322	2.5
596.15057	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	639.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29226	0.5
57.03452	0.6
57.69728	0.5
59.01374	1.1
59.42952	0.6
60.38160	0.5
61.98841	3.3
65.00312	2.0
70.85484	1.5
77.14043	0.5
78.95935	0.8
79.66202	0.5
83.01384	1.1
85.02959	1.3
87.00857	0.8
89.02422	0.6
89.96999	0.5
93.03466	4.4
96.96043	3.3
107.01392	2.9
109.02967	0.8
119.05038	54.2
120.05369	1.7
120.99637	0.6
123.00868	1.0
125.02457	2.8
135.04504	0.8
137.02458	2.4
138.03229	0.9
145.03053	0.6
151.00404	6.7
160.34497	0.7
161.02403	0.9
163.04031	27.2
164.04424	1.3
167.03476	1.6
173.04636	1.3
175.00392	0.8
185.02531	0.6
191.05632	5.1
199.03999	0.7
202.32646	0.6
209.06073	0.9
209.11880	4.2
210.12138	1.3
211.04131	0.7
215.07140	1.0
225.18224	0.6
227.07156	0.6
237.05597	1.1
238.06084	0.9
239.03297	0.6
249.05576	0.9
252.04321	0.8
253.05066	0.7
263.03357	0.9
265.05112	3.4
266.05603	0.8
267.02957	0.7
269.15448	1.6
273.69788	0.7
277.04990	1.4
279.03043	0.7
280.03790	3.6
281.04523	1.5
286.62552	0.7
293.04623	6.0
294.05286	5.6
297.14893	1.5
305.04727	0.7
308.03281	10.1
308.06543	0.6
309.04034	23.9
310.04395	2.4
321.04108	7.0
322.04791	19.0
323.05219	1.7
323.09067	1.0
323.12799	0.8
325.14429	2.2
345.07922	0.7
346.04834	0.7
351.12326	1.2
354.03836	23.7
355.04211	1.7
361.07083	1.2
371.05707	1.2
373.07080	1.2
379.08313	0.8
383.05664	1.1
389.06583	1.7
399.05093	3.9
400.05658	0.9
401.06400	0.9
414.07419	1.0
417.06238	1.4
427.04404	1.9
428.05392	0.8
429.05887	1.3
441.06281	1.3
443.07916	0.7
445.05609	13.4
446.05795	0.9
449.16101	0.9
459.07111	2.4
460.08090	2.9
475.10367	100.0
476.10687	10.3
477.15488	2.5
542.14001	1.8
567.18866	1.7
639.14160	55.2
640.15027	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	639.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50852	0.2
59.01382	1.2
61.98825	0.3
65.00327	0.8
69.03459	0.4
69.81611	1.4
71.01389	0.9
72.65863	0.2
73.02950	0.3
79.01896	0.8
81.03477	1.6
83.01380	1.4
85.02969	0.2
89.02467	0.6
93.03460	1.6
95.01405	0.8
96.96007	0.5
97.02955	1.5
99.00916	0.3
101.02427	0.4
105.03448	0.3
107.01401	2.7
108.02163	0.8
109.02948	1.0
109.16258	0.2
113.02448	0.3
119.05039	0.5
121.02959	2.6
122.03745	0.8
123.00900	1.2
123.04571	0.5
125.02460	7.3
133.02917	0.3
134.03778	1.8
135.00899	2.7
135.04552	2.5
136.01682	7.0
136.04834	0.3
137.02473	2.7
138.03195	0.6
145.02913	0.3
147.04536	1.0
148.01672	0.6
149.02448	2.3
149.06068	2.6
150.03241	3.6
151.00357	1.0
155.03471	0.3
159.04498	0.3
160.01677	0.3
161.02443	0.9
162.03142	0.4
163.00380	4.9
163.03983	0.5
164.01163	6.8
165.01950	3.2
166.02702	0.8
167.03525	0.4
173.02487	0.4
173.04539	0.4
175.00400	1.2
175.04022	0.8
176.01093	0.5
177.01929	2.7
178.02722	3.4
179.03542	0.6
179.63522	0.3
187.03954	0.3
188.01070	0.3
189.01929	0.6
189.05563	0.5
189.99045	0.7
190.02666	0.3
190.99911	1.9
191.03516	1.5
191.05559	0.8
192.00658	1.7
193.01437	4.6
199.04031	1.2
201.01939	0.8
202.99937	0.3
203.03532	0.4
205.01416	1.8
205.08691	1.0
206.02193	1.3
210.01732	1.8
211.07675	0.4
212.04790	0.3
213.05565	1.5
214.06187	0.3
215.03566	1.3
216.00639	0.3
216.04272	0.5
217.01372	0.5
217.05144	0.3
218.05772	0.4
219.02951	2.0
227.03580	0.3
227.07166	0.8
228.07907	0.4
229.08585	0.5
231.06638	1.2
237.05504	0.4
238.01166	0.9
239.07155	0.4
240.04311	0.3
241.05064	0.9
243.06673	0.3
253.05035	0.5
254.05858	0.5
255.06627	2.8
256.07349	0.6
257.04568	0.5
265.05060	0.7
267.06812	0.4
269.04483	0.4
269.08252	0.7
270.09027	0.8
271.06317	1.2
271.09747	0.9
272.06915	0.8
273.07745	0.6
279.06555	0.4
281.04501	0.6
283.02847	0.3
283.06055	1.4
285.04117	0.5
285.07669	0.6
285.11343	0.9
286.08319	0.4
287.09286	1.0
289.10681	0.8
295.06259	0.5
297.03976	0.5
297.07358	0.5
298.05099	0.5
298.08441	1.3
299.05670	2.3
300.06314	0.4
300.10016	0.3
301.07294	0.5
309.04163	0.4
312.06448	0.5
313.07156	3.4
313.10889	1.7
314.07980	3.6
315.08698	2.7
323.05740	0.4
324.06522	0.4
327.05078	1.0
327.08743	1.8
328.09326	0.4
329.10327	3.4
337.07126	0.3
339.08774	2.7
341.06699	0.6
341.10333	0.4
342.07501	5.2
343.07947	0.7
346.06876	0.5
353.10309	2.3
354.10995	0.3
355.08218	0.8
356.09128	0.3
357.09805	100.0
358.10172	8.6
358.13571	0.2
366.07401	0.4
369.09561	1.3
371.11401	0.5
381.09775	5.0
382.09860	0.5
384.09207	0.3
387.10895	3.2
399.10831	4.5
411.10971	0.5
459.13000	0.7
477.14041	45.2
478.14316	4.5
519.15082	35.5
520.15460	4.6
549.16205	1.1
639.18927	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	639.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
57.03458	1.5
59.01391	5.9
61.98834	4.4
68.87906	0.8
71.01402	10.7
71.68614	0.8
73.02956	2.0
83.01394	2.6
85.02955	5.8
87.00901	1.7
89.02444	1.2
93.03474	52.9
94.03794	1.1
95.01384	2.2
96.96021	6.9
97.91403	0.8
99.00866	1.1
101.02462	7.3
108.02174	3.0
113.02451	4.0
115.70279	0.8
118.98058	1.3
119.05053	1.7
121.02969	5.4
125.02407	1.1
133.02986	1.8
135.04608	1.0
136.01666	3.8
137.02461	72.0
138.02795	1.1
145.02953	1.5
147.04582	1.9
148.05322	1.1
149.05952	0.9
151.00372	1.1
151.04015	2.7
151.53395	1.0
158.03731	2.3
161.02402	1.7
163.04027	1.9
173.04573	3.9
175.04031	4.7
177.05539	1.4
179.03539	1.2
189.28830	1.0
190.06361	2.6
191.03880	1.1
191.05621	9.9
191.07140	2.1
203.07169	2.4
214.70482	0.9
221.04543	1.2
222.05324	1.3
239.07274	1.0
244.50507	0.8
249.24419	1.0
251.07141	1.7
253.08734	2.1
255.03065	1.6
261.05658	1.5
263.07141	3.1
265.08841	0.9
267.06598	3.5
267.10107	0.8
268.07339	1.7
269.08273	2.6
277.08405	1.2
278.05612	0.9
279.06659	6.0
280.07376	2.7
281.06592	68.3
282.06653	1.8
282.09381	1.7
283.02536	2.0
283.09851	2.7
284.03265	3.3
285.04056	4.6
291.06781	1.0
293.08359	2.1
294.09088	4.7
295.09641	6.5
296.07288	1.1
296.10583	3.4
297.07697	13.3
297.11310	3.0
298.08334	1.5
308.10446	2.2
309.07727	23.2
309.11325	7.6
310.08350	3.6
310.11606	1.1
311.09296	1.1
312.10065	14.2
313.10764	9.5
314.11240	1.4
323.09195	3.4
324.09998	14.9
325.10785	10.4
326.11301	1.4
327.12393	22.8
328.12726	1.4
339.12384	18.4
357.47156	1.0
547.11267	1.3
579.19037	2.1
591.18579	2.1
595.14905	3.6
609.20117	4.5
610.20831	1.3
621.19598	5.3
622.20093	1.6
639.20917	100.0
640.21155	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	639.2459
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
58.24662	0.8
59.01368	1.8
61.98824	1.9
91.99511	0.8
95.74168	0.9
96.32783	0.8
101.50579	0.7
108.04551	1.5
109.02962	1.4
136.04068	8.0
138.05618	2.0
179.08366	0.8
191.05644	1.9
213.10425	2.2
260.56314	0.8
268.97842	0.9
273.32867	0.9
299.13968	1.1
299.44632	0.8
339.09882	1.2
340.11005	1.1
369.11038	1.3
384.13599	1.1
419.11475	2.2
433.13263	1.4
434.14218	2.2
435.14426	1.9
449.16110	2.7
461.12405	1.6
463.13727	4.9
477.15714	11.3
478.16385	3.0
479.17380	1.8
491.17691	2.4
492.18027	1.3
493.18829	11.2
494.19571	1.4
505.15234	18.8
506.15533	2.9
511.49127	0.9
519.16559	2.9
520.17786	3.9
521.18573	1.1
534.18970	1.4
537.18079	2.8
552.20203	29.4
553.20520	6.1
554.20776	1.3
607.22131	4.5
608.23560	1.2
639.24646	100.0
640.24774	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	639.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17739	0.2
57.03461	0.4
59.01393	0.8
59.18682	0.2
61.98835	5.6
65.00325	0.5
66.75636	0.2
67.01921	0.3
71.01389	0.7
71.54948	0.3
78.60589	0.2
78.95918	0.4
80.02686	0.3
83.01398	0.3
85.02967	1.0
87.00902	0.3
89.02441	0.3
93.03485	1.2
96.96021	3.1
101.02475	0.4
107.01425	0.8
108.02184	25.8
109.02512	0.6
111.00887	0.4
112.00065	0.2
113.02487	0.5
119.05029	0.6
121.02986	0.3
123.04541	10.5
124.01605	0.3
125.02458	0.7
133.02963	0.3
134.03734	0.4
135.04549	0.6
137.02463	0.3
139.09497	0.3
145.02991	0.4
147.04575	0.5
151.00436	1.3
152.01172	49.7
153.01514	1.7
161.02489	0.2
161.04654	0.3
163.03993	0.4
165.01974	0.4
167.03516	100.0
168.03856	3.2
173.04561	1.1
173.05872	0.3
175.07628	0.3
179.03516	0.3
184.44511	0.2
187.07672	0.3
191.05620	4.5
192.05862	0.3
193.04915	0.3
211.13428	0.3
223.07523	0.2
250.56017	0.3
253.09190	0.3
285.03845	0.6
307.05713	0.3
327.21805	4.6
328.22089	0.4
329.13965	0.8
347.05237	0.3
404.08948	1.3
413.12341	0.6
433.13016	0.5
471.26242	0.4
477.15421	1.7
639.20721	6.2
639.30060	0.9
640.20642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.1
59.01392	17.8
61.98831	12.8
65.00325	2.7
65.03960	2.4
71.01386	15.3
72.99304	1.6
73.02947	4.0
79.97052	1.0
81.03467	1.3
81.05624	1.1
83.01389	5.1
83.05044	8.2
85.02959	6.7
86.00066	1.7
87.00876	5.4
89.02448	6.4
92.73528	1.1
93.03468	5.7
95.01392	2.7
95.05041	2.3
96.96034	6.4
97.06600	2.9
101.02439	12.3
107.01379	3.8
107.05024	1.1
109.06599	2.6
111.08166	5.0
113.02470	7.0
119.03571	2.2
119.05022	2.5
120.62988	1.1
123.04495	1.2
123.08144	2.8
123.55386	1.2
125.02470	9.3
125.09740	11.6
133.02959	1.7
137.02415	1.7
137.09682	2.3
141.60834	1.3
145.05092	2.4
151.00362	9.2
160.56866	1.3
161.04584	4.6
165.01990	1.7
171.10281	56.3
172.10660	2.4
173.04544	4.5
179.03432	1.7
179.05588	1.4
185.06122	1.4
187.04042	1.4
187.14914	1.4
189.05545	2.6
189.16515	1.3
191.05583	10.5
199.04094	2.1
203.14369	1.4
205.15952	3.8
207.10240	2.2
207.13994	1.2
209.06033	1.4
209.11853	13.5
211.13423	13.2
215.07312	1.6
215.14458	8.2
221.15428	2.7
227.07086	1.4
229.01419	1.7
231.13918	4.1
233.15479	26.0
234.15797	1.8
235.08171	6.9
241.05113	1.6
242.05798	1.3
249.14964	25.7
250.06238	1.2
253.05038	2.1
253.09303	5.9
254.05844	2.1
255.06677	1.5
261.05542	3.8
263.03409	1.4
264.04233	3.6
265.05042	4.5
265.08636	4.7
269.07849	1.4
273.74637	1.2
277.05179	2.1
278.05707	1.9
279.03116	2.4
284.03036	1.8
288.04349	1.5
289.05038	9.3
289.08246	2.4
293.04678	2.5
293.07950	2.7
294.09058	1.3
305.04517	3.7
306.05313	2.1
307.06058	3.7
308.06604	1.6
319.10535	1.2
322.04935	1.9
323.05643	2.4
333.04016	1.8
333.07681	5.3
337.07053	3.2
341.24695	4.3
351.05090	1.7
351.08847	9.9
351.12662	2.1
359.25919	2.1
367.22803	3.8
375.25314	4.8
379.08301	13.7
380.08670	3.4
385.23877	22.3
386.24390	2.6
393.26376	1.8
396.91721	1.3
403.24902	37.8
404.25107	3.2
407.19354	1.5
421.26236	12.3
422.26395	1.6
477.15451	15.1
485.24078	2.8
501.15283	1.3
542.14288	100.0
543.14679	14.7
590.28888	1.3
611.34436	2.4
621.32855	69.8
622.33185	12.6
639.23120	3.2
639.33875	44.8
640.34094	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	639.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.1
59.01392	17.8
61.98831	12.8
65.00325	2.7
65.03960	2.4
71.01386	15.3
72.99304	1.6
73.02947	4.0
79.97052	1.0
81.03467	1.3
81.05624	1.1
83.01389	5.1
83.05044	8.2
85.02959	6.7
86.00066	1.7
87.00876	5.4
89.02448	6.4
92.73528	1.1
93.03468	5.7
95.01392	2.7
95.05041	2.3
96.96034	6.4
97.06600	2.9
101.02439	12.3
107.01379	3.8
107.05024	1.1
109.06599	2.6
111.08166	5.0
113.02470	7.0
119.03571	2.2
119.05022	2.5
120.62988	1.1
123.04495	1.2
123.08144	2.8
123.55386	1.2
125.02470	9.3
125.09740	11.6
133.02959	1.7
137.02415	1.7
137.09682	2.3
141.60834	1.3
145.05092	2.4
151.00362	9.2
160.56866	1.3
161.04584	4.6
165.01990	1.7
171.10281	56.3
172.10660	2.4
173.04544	4.5
179.03432	1.7
179.05588	1.4
185.06122	1.4
187.04042	1.4
187.14914	1.4
189.05545	2.6
189.16515	1.3
191.05583	10.5
199.04094	2.1
203.14369	1.4
205.15952	3.8
207.10240	2.2
207.13994	1.2
209.06033	1.4
209.11853	13.5
211.13423	13.2
215.07312	1.6
215.14458	8.2
221.15428	2.7
227.07086	1.4
229.01419	1.7
231.13918	4.1
233.15479	26.0
234.15797	1.8
235.08171	6.9
241.05113	1.6
242.05798	1.3
249.14964	25.7
250.06238	1.2
253.05038	2.1
253.09303	5.9
254.05844	2.1
255.06677	1.5
261.05542	3.8
263.03409	1.4
264.04233	3.6
265.05042	4.5
265.08636	4.7
269.07849	1.4
273.74637	1.2
277.05179	2.1
278.05707	1.9
279.03116	2.4
284.03036	1.8
288.04349	1.5
289.05038	9.3
289.08246	2.4
293.04678	2.5
293.07950	2.7
294.09058	1.3
305.04517	3.7
306.05313	2.1
307.06058	3.7
308.06604	1.6
319.10535	1.2
322.04935	1.9
323.05643	2.4
333.04016	1.8
333.07681	5.3
337.07053	3.2
341.24695	4.3
351.05090	1.7
351.08847	9.9
351.12662	2.1
359.25919	2.1
367.22803	3.8
375.25314	4.8
379.08301	13.7
380.08670	3.4
385.23877	22.3
386.24390	2.6
393.26376	1.8
396.91721	1.3
403.24902	37.8
404.25107	3.2
407.19354	1.5
421.26236	12.3
422.26395	1.6
477.15451	15.1
485.24078	2.8
501.15283	1.3
542.14288	100.0
543.14679	14.7
590.28888	1.3
611.34436	2.4
621.32855	69.8
622.33185	12.6
639.23120	3.2
639.33875	44.8
640.34094	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	640.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89643	0.4
59.01384	1.1
61.98837	100.0
69.82282	1.0
69.82698	1.7
78.95934	1.3
99.41964	0.4
114.30973	0.4
115.24847	0.4
141.03712	0.4
179.10847	0.8
189.00262	0.5
197.11873	3.2
207.19055	0.4
223.09769	0.4
258.64706	0.5
279.23331	3.0
295.85666	0.5
315.14478	0.7
577.37500	6.9
578.38031	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	640.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25345	0.4
59.01379	1.0
61.98838	100.0
63.40015	0.5
67.58850	0.5
69.80585	1.4
69.80988	1.0
78.95915	0.8
98.19956	0.6
104.01302	0.5
165.81808	0.4
179.10843	1.1
197.11951	2.1
255.23367	0.5
279.23380	2.8
280.23730	0.4
292.24725	0.5
315.14639	0.5
445.69269	0.6
567.54730	0.5
577.37604	6.1
578.37762	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	641.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01377	0.6
61.98814	0.3
67.01890	0.2
71.01392	0.4
79.95749	3.0
80.12270	0.2
85.02951	0.4
87.00877	0.2
89.02493	0.2
93.03463	0.7
96.96023	100.0
97.95956	0.2
98.20766	0.3
98.68674	0.1
101.02464	0.2
109.02990	0.2
124.51534	0.1
125.02497	0.2
135.04506	0.3
137.02487	0.2
142.62602	0.1
151.00444	0.3
161.02483	0.3
167.03520	0.2
170.92659	0.2
171.10289	0.2
173.04625	0.8
173.05888	0.2
178.99806	0.2
191.04012	0.3
191.05637	3.1
192.05873	0.2
201.05589	0.3
201.09303	0.2
209.11858	0.2
275.12537	0.2
285.03873	0.4
299.05521	0.2
313.07446	0.2
317.13977	0.2
339.21625	0.2
379.15445	0.1
449.12845	0.2
465.34793	0.2
468.15125	0.2
550.25574	0.2
641.24744	0.3
642.31635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1733
Annotation	Brartemicin
Peak:m/z	Relative Intensity
57.03442	1.5
59.01383	4.2
65.00306	0.7
67.01902	1.6
68.99843	0.7
69.23175	0.6
70.65929	0.7
70.66254	1.3
71.01391	5.1
71.57117	0.6
79.61221	0.6
80.02722	0.8
81.03475	0.8
85.02959	2.5
87.00877	1.8
89.02430	1.6
91.01891	2.0
93.03463	3.1
95.01382	1.5
96.96007	3.0
96.99295	1.1
99.00935	0.8
101.02473	3.3
107.01417	2.0
108.02184	25.4
109.02986	8.6
111.00883	1.0
113.02478	2.4
114.89468	0.7
121.02951	1.1
123.00893	4.5
123.04539	17.3
125.02450	1.9
135.04524	2.9
137.02440	2.0
138.03265	1.0
149.02455	1.4
149.44513	0.7
150.03250	1.3
151.00385	6.2
151.04025	1.5
152.01163	53.5
153.01950	18.4
153.36542	0.7
161.02437	1.1
164.04898	0.9
165.05536	2.2
166.02734	7.3
167.03508	75.9
168.03850	2.9
171.10188	0.9
173.04582	1.9
175.03973	0.9
177.05510	0.9
179.03506	2.0
181.05075	5.6
191.05653	12.2
193.05096	0.9
195.02916	0.7
207.03006	0.7
209.04547	5.0
221.04698	1.0
225.11330	1.3
239.05605	1.1
287.09277	2.9
296.05396	3.0
297.06180	15.6
298.06302	0.8
311.07758	21.9
335.11365	1.5
479.11975	100.0
480.12421	9.4
499.49188	0.8
521.13135	5.4
544.06183	0.8
641.17291	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	643.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77936	0.5
59.01385	95.6
60.01717	1.2
61.98833	0.6
69.84525	3.1
90.97130	0.7
102.56626	0.6
111.55622	0.6
132.98193	1.4
132.99092	0.7
134.97092	1.7
153.31244	0.5
157.03571	5.3
159.01517	2.4
171.15387	0.6
174.99268	22.4
176.98120	28.3
177.98267	2.1
181.04083	0.6
185.25929	0.6
201.02565	59.0
202.02736	3.9
209.06787	0.7
217.00310	100.0
217.44618	0.6
218.00708	3.1
218.23587	0.7
219.00533	0.8
276.98212	1.7
318.99268	0.8
343.03717	17.6
344.03918	2.6
359.01483	79.7
360.01697	7.2
501.02783	6.4
502.02621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01387	100.0
61.98842	1.1
69.57719	2.8
69.58123	1.3
71.01389	7.9
73.02943	3.5
79.91476	0.8
83.01395	1.6
85.02959	6.3
87.00881	1.0
89.02435	1.1
90.06140	0.8
93.03480	1.6
96.96025	5.5
99.00890	2.3
101.02464	10.6
111.04465	0.9
113.02461	5.3
123.96377	0.9
128.66748	0.8
161.04570	4.8
168.10332	0.7
187.07553	1.1
191.05643	10.4
201.11320	5.5
209.11850	7.3
215.07097	1.1
227.12825	1.6
235.11891	21.6
236.12231	1.6
277.12958	8.2
288.39563	0.9
351.45990	0.9
388.41855	0.8
397.13489	2.5
415.14490	2.2
453.22742	0.9
454.66461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02476	1.1
57.03438	1.7
59.01375	2.0
60.99281	5.3
61.98835	2.0
65.11288	1.2
67.01904	14.7
69.03464	2.8
70.74912	2.6
71.01362	3.8
72.80655	1.1
78.95915	2.1
81.03450	2.9
83.05036	2.7
85.02961	3.4
87.00880	17.3
91.08608	1.2
93.03469	100.0
94.03841	1.4
96.96005	4.7
99.04533	1.9
109.02988	1.3
111.04545	13.0
113.02454	1.6
114.94719	1.4
129.01929	2.4
133.02953	1.5
134.03766	10.2
135.04552	21.0
155.03491	2.9
161.02422	1.7
173.04565	53.4
173.39008	1.3
178.02678	1.8
179.03583	1.8
191.05634	35.4
197.11792	1.9
209.11774	2.5
272.69656	1.2
291.19690	6.6
293.21152	1.3
315.02176	1.1
407.22098	5.4
425.23383	3.5
451.21173	3.6
566.20587	1.6
601.68951	1.5
643.27576	67.1
644.28217	9.8
657.90234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.9
60.99296	4.7
61.98824	7.2
67.01904	8.9
68.99568	2.8
69.03461	2.6
71.01373	5.7
79.95734	6.4
80.96533	12.0
81.03460	3.6
82.95411	1.8
83.05032	2.4
85.02953	9.5
87.00892	15.0
93.03469	70.5
94.03810	2.3
94.98090	2.2
96.96029	15.4
102.17616	1.9
109.02934	2.4
111.04505	10.0
125.02417	2.5
127.04028	4.0
134.03709	5.0
135.04539	30.7
137.02380	3.0
152.98596	2.3
155.03381	2.7
161.02415	3.1
169.12428	1.9
173.03163	2.4
173.04562	29.3
179.03511	12.0
191.05626	100.0
192.05899	4.2
197.11845	4.7
201.11328	2.3
207.10248	2.6
209.11804	4.9
211.13379	4.8
225.00725	4.0
227.12730	1.9
228.96428	1.7
232.88362	1.8
233.06467	2.0
280.66125	1.7
308.08875	3.4
352.07816	2.7
407.22299	3.7
407.84631	1.9
451.21259	2.4
471.15381	13.2
475.67511	1.6
527.17755	2.3
533.70367	1.9
613.99487	1.9
643.27264	64.7
644.27777	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	643.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09308	0.2
57.03457	0.3
59.01385	2.9
61.98855	1.0
67.01892	0.2
69.03479	0.6
69.65479	0.4
69.65893	0.8
71.01392	2.9
71.05071	0.2
71.49316	0.2
73.02979	0.6
79.53270	0.2
79.95776	0.8
80.02711	0.8
80.96551	0.3
81.03454	1.1
83.01424	0.5
83.05032	4.5
83.05489	0.3
84.02204	0.8
85.02963	2.1
87.00919	0.8
89.02452	2.5
93.03460	1.9
95.05062	0.9
96.96021	22.0
97.02942	0.3
97.06612	0.4
98.19976	0.5
98.95626	0.4
99.00922	0.4
101.02454	2.6
109.02929	0.3
109.06638	0.4
111.04529	0.3
113.02447	1.5
119.03489	0.4
125.02470	0.3
125.06078	0.5
125.09756	0.5
127.04088	0.2
127.16216	0.2
127.92561	0.2
133.03047	0.2
133.34253	0.2
134.03775	0.3
135.08182	0.7
137.02463	0.3
141.09245	0.4
145.05055	0.5
153.12874	0.9
161.04599	1.3
161.09816	0.2
163.03999	0.3
163.11287	3.8
165.12845	2.0
169.12355	4.2
171.10266	1.3
173.04588	1.0
173.05956	0.3
179.05605	0.3
179.10788	0.3
181.12361	0.5
184.97641	0.3
191.05641	12.0
191.10817	0.8
192.05936	0.6
197.11844	75.3
198.12163	3.5
199.13368	0.6
201.11337	0.8
207.10313	0.7
209.11838	100.0
210.09131	0.3
210.12180	5.1
211.56059	0.2
215.07129	0.5
223.13449	1.2
225.11330	0.4
227.12900	14.5
228.13307	0.5
235.08269	2.5
235.13412	1.0
253.09305	9.1
254.09683	0.4
285.04160	0.9
289.02591	0.3
304.44803	0.2
307.98209	0.3
371.22275	0.5
389.23279	0.8
407.23425	0.4
433.20718	2.3
445.20908	1.4
451.21204	2.0
452.20969	0.4
463.21860	0.3
481.28967	0.2
546.10254	1.0
607.31134	0.6
608.31763	0.3
625.31879	0.5
642.78528	0.4
643.30164	0.8
654.36243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03462	0.8
58.00600	0.7
59.01387	13.1
71.01390	8.8
73.02939	1.5
74.02497	0.5
83.01396	1.4
84.04541	1.7
85.02970	3.7
87.00869	0.8
89.02451	4.3
89.35623	0.5
93.03484	0.8
95.01406	0.7
96.96021	9.4
98.19917	1.0
101.02444	4.7
102.05618	9.8
113.02493	2.8
119.03510	1.2
121.10189	0.7
128.03555	25.5
129.03880	0.9
131.41437	0.5
141.26781	0.6
146.04579	2.6
173.04575	1.1
179.82722	0.5
191.05664	2.1
198.15054	0.6
199.13368	1.6
285.04242	0.6
325.24939	0.6
327.25418	1.5
339.25436	5.7
357.26465	9.2
358.26627	0.7
424.30795	1.0
442.31799	1.7
501.30630	1.4
519.31714	21.1
520.32343	2.7
568.98712	0.7
604.36841	2.3
630.35022	3.1
648.36053	100.0
649.36389	15.7
649.47314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12352	0.5
59.01383	1.0
60.69616	0.4
61.98823	1.3
71.45502	1.1
77.11974	0.6
78.95909	0.8
82.57891	0.5
93.03460	2.7
94.52833	0.6
96.96001	1.3
101.85199	0.5
105.01987	0.5
109.02953	9.5
117.03464	1.3
118.54253	0.5
119.05044	4.3
121.02959	5.6
124.82811	0.6
132.02084	0.6
132.49290	0.5
133.02971	1.0
145.02957	4.3
160.01668	1.0
161.02429	2.1
163.04031	2.7
173.04565	0.6
191.05608	1.7
192.05934	0.6
237.07674	2.0
247.07565	0.7
248.08417	1.3
249.09071	0.7
258.07004	0.6
261.09186	1.8
263.05252	0.6
273.09280	2.8
275.10840	1.1
289.08685	3.3
291.10461	0.5
301.08597	0.9
351.10284	0.8
353.11862	0.7
365.11859	0.8
367.09512	1.2
367.13455	2.2
368.10428	0.8
381.11325	1.7
383.12912	5.3
385.14594	1.8
393.11023	0.6
396.09784	1.0
411.12396	100.0
412.12677	9.9
485.16513	0.6
507.87543	0.6
649.20874	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	649.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.6
67.01874	0.7
68.63357	0.6
69.40838	5.4
71.01389	4.6
72.99318	0.7
82.76013	0.7
83.01392	1.0
85.02949	3.5
85.38464	0.6
87.00871	1.5
89.02445	1.4
93.03458	6.4
95.01382	1.0
96.96027	7.4
101.02439	4.0
109.02995	0.8
111.04536	1.3
113.02451	6.0
119.05038	1.0
128.03520	1.0
133.02950	1.9
135.04538	2.3
137.02452	2.3
152.01166	1.0
153.01851	0.8
155.03484	0.7
161.02443	4.4
161.04581	1.6
167.03542	2.3
173.04558	10.2
176.03981	1.0
179.03496	1.4
191.05617	11.7
199.10954	1.0
201.11343	1.3
207.99045	0.7
208.08969	3.6
209.06122	1.9
209.11836	1.4
210.06894	1.0
220.08958	6.8
221.09724	100.0
222.10072	7.3
223.07668	9.0
235.07626	9.8
237.05548	0.7
252.07852	1.0
265.08722	34.0
266.09055	3.1
279.10349	1.9
307.09769	35.9
308.10196	2.8
337.10928	3.7
341.08871	1.1
352.69391	0.9
367.11917	8.2
427.13983	65.4
428.14352	6.9
469.14868	0.9
491.28415	1.3
569.22430	1.9
606.31781	0.8
649.15961	1.2
669.90985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
58.00613	0.7
59.01385	26.0
66.11526	0.8
71.01021	1.6
71.01389	14.6
71.79156	0.8
72.99326	0.8
79.17891	0.7
85.02959	2.6
89.02456	14.2
91.30515	0.6
95.01433	0.9
99.04554	2.3
101.02432	6.0
102.09847	0.8
102.97920	0.7
103.00553	0.8
113.02459	4.5
119.03495	3.4
127.04028	100.0
128.04375	2.5
139.08801	0.7
179.05626	1.5
211.03630	0.7
258.63580	0.8
307.10373	53.1
308.10754	2.7
435.27277	0.8
562.36475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07127	0.2
59.01387	12.8
66.19131	0.2
71.01389	1.2
71.53891	0.3
73.02950	0.3
85.02955	0.8
89.02460	0.3
93.03445	1.1
96.95999	0.7
101.02447	0.7
102.05631	0.5
113.02483	0.9
128.03540	0.8
133.02997	0.5
135.04501	0.6
137.02444	0.7
146.04640	0.2
151.34831	0.2
161.02451	1.0
161.04523	1.5
164.02663	0.2
171.10466	0.2
173.04532	1.5
179.03580	0.3
190.33751	0.3
191.05606	1.6
196.09862	0.4
197.10172	0.3
207.08331	0.2
249.09174	0.7
250.10027	1.5
263.10788	7.1
264.11551	1.7
265.12347	100.0
266.12692	7.7
271.92087	0.2
285.03958	0.9
295.10059	0.3
335.08005	0.4
427.17618	14.1
428.17929	1.5
430.55972	0.3
519.31818	0.5
648.35718	1.2
649.19263	0.3
649.36761	2.1
650.36902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
58.00602	0.4
59.01385	13.7
60.88521	0.4
69.85391	1.3
71.01014	0.7
71.01386	9.8
71.05029	6.8
72.76447	0.4
72.99290	0.6
73.02946	1.3
83.01402	1.0
85.02940	1.9
85.06584	0.4
88.20892	0.4
89.02451	7.4
95.01385	1.0
99.00909	0.5
99.04527	9.1
99.05171	0.4
101.02451	7.7
113.02461	3.7
119.03485	3.2
129.05574	4.5
131.21791	0.4
143.03561	0.4
147.06651	15.6
148.06978	0.6
161.04553	1.4
173.02194	0.5
179.05684	0.5
309.11923	100.0
310.12247	6.7
326.29797	0.4
380.06137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.5
59.01387	12.7
69.67838	0.9
69.68240	1.6
71.01389	8.8
71.05027	6.3
73.02944	1.3
75.00890	0.5
79.59286	0.5
83.01402	0.8
85.02953	2.1
87.00866	0.6
89.02443	6.9
99.00877	0.8
99.04527	10.1
101.02456	7.0
113.02474	4.6
119.03522	3.1
127.04057	1.0
129.05589	5.0
134.19679	0.5
147.06638	14.4
156.95454	0.4
161.04561	1.4
188.55965	0.5
252.29750	0.6
287.50507	0.6
309.11929	100.0
310.12277	6.2
419.45154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06775	4.8
56.05933	4.9
59.01374	20.0
61.98826	20.9
62.03072	4.7
68.73639	5.4
70.26035	19.9
71.01376	25.2
77.47373	4.3
78.95898	5.2
85.02953	8.4
87.00877	5.7
89.02429	6.8
93.03461	15.6
96.96029	6.3
97.02991	5.6
98.19972	5.4
101.02473	8.1
109.06607	18.3
113.02370	5.5
118.48546	5.0
119.05039	7.3
125.09682	8.4
135.04518	14.8
145.02962	10.7
160.84184	9.6
161.02454	6.5
163.11299	12.1
169.30463	4.8
171.10274	100.0
173.04524	9.3
181.12225	5.8
191.05629	29.4
207.10245	58.2
209.11832	6.9
225.11343	22.5
235.08113	6.2
253.09335	12.5
287.57193	5.1
291.08746	6.7
308.37842	6.1
359.12808	16.1
407.19275	11.3
415.20688	6.7
443.19028	10.5
461.20322	11.0
597.29126	21.5
615.30145	47.4
616.30298	7.7
633.29584	7.4
651.30280	58.1
652.30994	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	651.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
56.67762	0.3
57.03448	0.9
58.00601	0.8
59.01385	35.5
60.01721	0.4
69.03455	0.3
69.58411	1.5
71.01389	17.3
72.99314	1.5
73.02959	2.7
73.83707	0.2
75.00883	0.3
76.74043	0.2
83.01402	2.4
85.02958	5.7
86.00115	0.4
87.00879	1.3
88.98812	0.6
89.02453	8.5
93.03479	0.6
95.01398	1.1
96.96027	0.8
97.02984	0.3
98.20653	0.3
99.00907	0.9
99.98975	0.2
101.02452	10.5
111.00925	0.6
113.02466	5.0
115.00400	0.3
119.03517	2.6
119.05030	0.5
125.02439	0.6
135.04489	0.2
143.03487	0.5
144.61655	0.2
159.02998	0.2
161.04610	0.4
163.04027	0.2
171.10262	0.3
173.04539	0.5
189.04033	0.6
191.05620	1.4
221.19141	0.3
226.06293	0.5
228.53442	0.2
232.82027	0.3
239.20305	0.3
241.08711	0.2
267.19626	0.7
278.54800	0.2
285.20700	1.9
335.07834	0.4
383.24625	0.3
401.25339	0.5
409.11591	0.3
429.25046	3.7
430.25247	0.5
431.26343	0.5
447.26016	10.3
448.26193	0.8
471.26071	1.4
489.27039	5.7
490.27390	0.7
501.27420	0.5
591.30280	1.3
592.30835	0.4
609.31335	1.8
651.32355	100.0
652.32684	13.7
652.48718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03437	1.0
58.00597	1.0
59.01387	33.8
60.01697	0.3
61.60614	0.2
62.65559	0.2
68.47201	0.3
69.03455	0.4
71.01390	19.1
71.55161	0.3
72.99327	1.6
73.02953	2.7
75.00857	0.6
79.76682	0.2
81.03474	0.3
83.01399	2.8
83.68971	0.2
85.02959	6.4
86.00089	0.4
87.00898	2.1
88.98814	1.1
89.02457	7.8
90.71637	0.3
93.03466	0.8
95.01386	1.8
96.96001	0.8
97.02969	0.5
99.00897	0.9
101.02454	10.9
111.00884	0.5
111.04543	0.4
111.08186	0.4
113.02470	4.8
117.74781	0.3
119.02929	0.2
119.03538	2.6
119.05009	0.3
125.02419	0.5
131.03522	0.3
135.04587	0.3
135.60802	0.3
137.02463	0.5
145.03018	0.3
159.02972	0.3
161.02451	0.5
161.04620	0.3
164.84521	0.3
171.10313	0.6
173.04553	1.0
173.08191	0.4
191.05663	2.8
192.82228	0.3
209.11885	0.7
239.20308	0.4
280.68842	0.3
285.20770	2.2
327.21875	0.4
401.25562	0.5
429.24924	3.4
430.24994	0.4
431.26501	0.6
443.26526	0.4
447.26056	10.4
448.26416	1.1
471.25961	1.3
489.27005	5.9
490.27295	0.6
577.68402	0.4
591.30048	1.6
592.31000	0.4
609.31494	1.9
633.31586	0.4
651.32367	100.0
652.32715	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	653.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27085	1.7
55.18681	1.5
56.39204	1.4
57.03437	6.2
59.01116	2.0
59.01392	22.9
61.98831	15.3
62.61059	1.4
63.02400	7.5
65.00336	9.2
71.01381	5.9
71.54887	3.2
74.89331	1.3
77.03412	1.4
79.95734	2.0
81.03448	3.6
83.01397	12.0
85.02982	8.0
87.00871	3.1
89.02452	2.3
93.03497	10.2
95.01389	9.8
95.95251	2.2
96.96024	21.0
97.02909	1.7
98.95562	2.3
101.02423	3.2
107.01396	15.8
107.05035	4.4
109.02966	21.8
111.00903	7.5
113.02413	2.0
118.73248	1.7
121.02946	7.3
123.00867	4.7
123.04542	18.7
124.01716	2.2
125.02451	39.4
127.04018	3.6
128.03470	1.9
131.05046	2.1
133.02951	6.4
133.06667	1.5
134.03845	2.0
135.00867	3.6
135.04532	9.4
137.02452	17.1
143.04993	1.9
147.00870	6.2
147.04533	5.1
149.02435	10.3
149.06035	2.5
150.03209	3.2
151.00377	57.0
151.01596	3.5
151.04045	9.4
152.01128	4.8
153.01939	12.5
159.04520	7.6
161.02403	7.4
161.06058	2.9
163.00343	7.3
163.04057	5.0
165.01877	8.7
165.05498	3.7
167.02167	2.8
167.03499	35.4
169.01424	7.4
171.04536	3.1
173.04552	6.0
173.05949	2.4
174.03113	1.7
175.03996	5.1
177.01935	11.7
177.05627	2.5
178.99875	100.0
179.03442	9.9
180.00171	2.3
180.04300	3.8
181.01476	10.8
181.04942	1.9
183.04665	2.0
187.03993	5.2
189.05606	5.3
191.03571	4.8
191.05595	25.6
193.01437	50.6
193.05034	4.7
194.05693	1.7
195.01251	2.4
195.03011	34.7
195.06580	6.3
199.04031	5.0
201.01912	6.9
201.05573	2.8
203.03546	8.6
204.04123	2.0
205.04994	3.5
208.79428	1.7
209.04546	8.0
209.11818	5.6
213.01826	2.5
213.05374	2.4
215.03476	8.0
217.04973	4.5
219.02977	9.4
221.04443	3.8
221.83203	1.7
223.06113	6.3
225.07774	1.9
227.03378	4.3
229.05013	1.9
230.02109	2.4
231.03035	3.7
233.04495	13.7
241.05040	2.9
243.02921	3.3
245.00957	1.8
245.04549	4.6
255.03093	3.1
257.04581	2.4
271.02490	4.6
273.04050	9.5
284.99133	2.1
285.03979	7.2
286.11609	1.9
287.05325	1.9
299.02081	2.4
299.05716	2.3
317.03125	2.1
335.05606	2.4
353.06653	2.9
355.08261	2.0
379.04413	3.5
393.06247	6.4
397.05508	10.0
409.05597	5.9
411.07025	4.8
415.06741	34.2
427.06659	2.9
431.12323	2.6
432.08133	2.2
447.10550	5.9
448.09906	3.1
449.10648	6.3
459.05716	18.7
461.17783	2.2
465.04572	2.8
483.05698	4.8
491.11798	6.1
527.04456	2.1
574.06262	2.2
591.07935	7.2
593.14728	4.0
609.08215	9.6
609.16766	5.4
652.17670	2.1
653.07788	6.8
653.17609	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	653.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	16.2
59.01382	6.4
61.98816	2.1
63.02400	6.5
65.00332	12.8
67.01897	1.1
67.80181	0.9
68.99857	1.0
71.01391	3.4
71.54760	0.9
73.02960	1.1
81.03477	4.6
83.01395	13.3
85.02973	3.6
87.00881	1.9
88.98828	2.9
89.02458	1.0
89.22189	1.0
92.55083	1.1
93.03472	8.0
95.01402	3.9
95.04967	1.1
96.96023	7.5
99.00883	1.2
101.02467	2.3
107.01391	17.0
107.05077	1.8
108.02215	1.5
109.02946	6.3
111.00893	2.5
113.02498	1.2
119.03462	1.1
119.05015	5.5
121.02986	4.0
123.00877	1.6
123.04556	9.0
124.01653	3.1
125.02460	100.0
125.29778	1.1
126.02786	2.5
131.05003	1.2
133.02954	4.5
134.03770	1.4
135.04546	3.1
137.02467	7.5
137.63815	1.1
139.04028	1.8
143.05066	1.6
145.02951	2.5
145.06645	1.1
147.04536	2.4
149.02469	2.5
149.06105	1.0
151.00381	51.3
151.03969	3.3
152.01187	5.5
153.01979	10.3
157.06587	1.3
159.04507	4.0
161.02466	7.4
161.06090	1.7
163.00322	3.2
163.03989	3.9
164.01201	1.5
165.01923	7.7
165.05589	2.6
167.03520	14.9
169.01462	7.6
171.04518	2.1
171.10292	2.0
173.04562	4.2
173.05952	2.2
174.06503	1.0
175.03986	2.9
177.01920	9.4
178.02576	1.0
178.99872	83.0
179.03436	4.3
180.00198	1.8
181.01495	5.5
183.04550	1.9
185.06081	3.0
187.03992	4.4
187.07648	2.2
189.05598	2.5
191.03566	3.0
191.05652	14.6
193.01407	14.2
193.05128	2.5
195.02991	9.1
195.04568	1.5
196.03331	1.1
197.05986	1.6
197.90723	1.1
199.03996	3.0
201.05647	4.0
203.03564	2.1
205.01454	1.7
205.05124	2.3
207.02962	4.0
209.06094	2.4
211.04037	3.0
211.07646	1.9
213.05618	3.6
215.03543	2.3
215.07205	1.2
217.01447	1.2
223.06055	1.4
225.05618	1.4
226.02766	1.3
227.03519	2.6
227.07199	1.3
229.05017	1.8
231.02965	3.1
233.04532	2.0
237.05560	1.2
239.03447	1.7
239.07175	1.6
241.05110	3.7
243.02977	2.0
245.04617	1.9
249.03992	3.4
255.03043	2.6
255.06602	2.2
257.04608	2.6
265.04950	1.7
267.03165	1.5
268.03775	1.2
269.04568	4.1
279.06653	2.0
283.02563	1.5
283.06012	1.4
284.03226	4.0
285.04095	7.5
297.04028	2.9
297.15106	1.2
299.05679	2.3
307.06104	1.6
309.07703	1.5
313.03635	2.5
321.07709	1.9
335.05682	1.7
337.07162	1.2
349.07117	3.7
351.05145	2.3
353.06808	2.6
365.06799	3.2
367.08237	1.9
377.06754	2.4
383.07690	2.4
393.06152	2.4
395.07922	1.5
397.05444	2.8
411.07181	3.1
421.05545	4.3
439.06680	4.7
447.10675	6.2
455.06619	2.9
483.05780	3.6
491.17062	3.3
501.07797	2.1
527.04553	3.4
537.10242	2.8
547.08606	3.5
563.08386	1.5
565.09808	3.3
591.07898	4.1
609.08344	19.9
609.16638	4.2
610.08856	2.1
635.06799	2.3
652.38428	1.7
653.07837	37.7
653.22095	10.7
653.33502	3.2
654.08356	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	653.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
61.98829	1.7
63.02417	0.8
65.00328	0.5
71.01386	1.7
71.55022	0.6
71.58794	0.4
72.48296	0.4
76.81773	0.4
83.01391	0.6
85.02953	0.7
88.98794	0.6
89.02461	0.8
93.03465	3.8
96.96018	1.9
101.02462	0.9
105.03478	0.9
107.01430	0.9
109.63806	0.4
111.04540	0.5
119.05043	0.5
123.04536	0.6
123.15742	0.5
124.01676	0.5
125.02444	0.7
128.03503	0.4
132.02209	0.5
133.02971	9.5
135.04533	0.5
137.02455	2.5
149.02493	0.8
151.00418	2.2
161.02473	0.7
163.04071	0.5
164.04839	0.7
167.03355	0.5
171.10336	0.6
173.04562	1.6
177.01938	5.1
177.98718	0.4
179.03555	0.6
183.04530	0.9
191.05667	5.0
192.04305	49.7
192.29965	0.5
193.04675	2.4
207.06648	39.3
208.06973	1.8
209.11833	1.2
211.04030	0.8
225.11308	0.5
227.03493	0.9
229.52492	0.4
238.02724	0.4
255.03014	85.7
256.03497	6.6
268.03738	1.6
268.06912	0.4
281.06659	1.6
283.02505	100.0
284.03134	15.9
285.04041	4.6
296.03314	5.0
297.03775	0.8
299.05569	0.8
313.03583	1.3
313.10690	0.6
325.03485	2.5
367.04565	1.4
445.07813	5.9
446.08566	19.5
447.08990	1.7
459.07065	0.7
491.09952	18.5
491.17023	1.2
492.10223	2.0
533.10461	0.6
578.37000	0.5
609.19403	0.7
635.30560	0.7
653.15350	1.8
653.31854	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	653.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41217	0.8
59.01387	5.9
70.11211	0.9
71.01378	3.3
71.53789	0.8
73.02931	1.2
85.02957	1.1
85.65947	1.0
87.00868	2.3
89.02467	1.3
93.03451	5.8
96.96011	7.8
101.02447	1.9
119.45922	1.1
123.04549	1.0
132.02168	1.0
133.02922	1.1
135.04561	1.5
137.02452	7.4
146.03618	1.0
147.04596	1.1
151.00348	1.5
158.23108	0.9
161.02477	1.5
167.03400	1.6
173.04538	1.9
175.04077	1.0
179.03467	1.0
179.07089	1.1
191.05621	6.8
191.07138	1.3
192.04312	0.8
192.06653	2.2
193.05099	1.0
199.03912	1.2
204.04054	1.0
211.04007	1.0
212.04834	0.8
215.03479	0.9
219.06596	1.8
220.03830	1.6
224.04811	1.7
227.07182	1.9
235.06081	1.9
239.03520	4.5
240.04164	2.3
242.69739	0.9
253.07166	1.5
255.02969	3.7
267.03052	5.6
268.03787	44.0
269.04507	8.0
281.06830	5.2
283.02481	2.5
284.03302	7.7
285.04062	22.3
286.04352	1.2
297.03778	1.5
299.05368	1.5
311.05612	2.4
431.09854	100.0
432.10123	8.9
440.04108	0.9
447.09576	2.4
449.10910	1.2
461.10782	1.1
473.10724	1.8
501.13922	0.9
517.13531	1.3
519.19983	4.0
635.15967	3.8
639.63464	1.1
653.13580	24.1
654.14081	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	653.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31490	3.2
59.01382	16.9
69.59684	18.1
71.01392	12.2
72.61469	3.0
78.95914	6.1
83.05029	6.8
85.02946	5.6
87.00945	4.5
87.25862	2.8
88.59863	2.9
89.02441	5.3
91.19529	2.9
93.03471	10.9
96.96021	5.7
97.06608	3.5
100.58614	2.9
101.02437	9.4
108.02230	3.3
109.06615	7.8
112.25056	3.2
113.02463	6.7
125.09723	9.2
130.35037	3.4
134.03748	13.3
135.04588	4.6
152.01222	4.6
152.99562	5.2
161.04588	3.6
163.11307	7.3
167.03484	4.8
171.10284	73.9
173.04533	6.4
185.11850	5.8
191.05666	19.5
193.04991	5.3
205.12372	4.3
207.10277	21.6
209.11845	100.0
210.12111	5.8
215.11113	3.0
225.11392	11.9
227.12895	14.9
235.08241	5.5
247.13440	4.1
249.11253	4.0
253.09358	15.4
264.04260	10.6
265.04718	4.0
268.63818	3.9
279.06519	5.5
285.04111	3.9
399.21799	9.8
407.19339	6.7
417.22836	11.7
445.20834	7.9
529.13190	6.7
556.15887	11.4
597.19324	3.7
635.30670	20.6
653.30975	62.0
654.30737	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	653.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.6
59.43134	0.5
61.98838	0.7
62.96439	0.6
69.16496	1.9
69.16917	2.4
69.86493	0.4
78.95912	100.0
96.96967	1.2
98.84480	0.4
115.98207	0.4
125.09666	0.5
149.00089	5.0
152.99568	4.3
171.10223	1.1
205.15945	2.3
209.11917	2.3
225.11368	0.6
255.23328	5.5
256.23804	0.5
277.21710	3.2
285.12625	4.0
355.16660	2.0
379.43665	0.4
385.17902	0.4
391.22458	0.8
447.07645	0.7
447.13397	5.9
546.18237	0.4
563.33527	0.9
635.35767	0.9
653.30127	54.0
654.30457	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	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85386	0.3
55.01883	1.6
57.03462	0.8
57.37284	0.2
57.85938	0.3
58.00600	2.1
59.01387	41.8
60.72432	0.3
61.98838	1.0
68.99827	0.6
69.03469	2.1
69.49683	1.7
69.50107	0.5
71.01390	38.2
72.99322	2.7
73.02955	7.1
74.94790	0.3
75.00885	1.1
81.03470	2.1
83.01392	4.1
85.02953	8.2
86.14552	0.3
87.00887	9.9
87.04541	0.6
89.02454	35.9
89.12707	0.3
90.02793	0.5
91.04025	1.1
91.58551	0.3
93.03469	0.3
95.01401	2.8
95.05042	0.3
97.02966	6.1
99.00893	2.3
101.02454	32.3
102.02837	0.5
103.00403	0.3
103.04028	0.4
109.02995	0.7
111.00923	0.3
111.04534	1.1
113.02463	15.4
115.04002	0.6
116.04443	0.3
119.03521	10.8
119.04351	0.7
121.02985	0.5
123.00879	0.4
123.04557	0.5
124.01711	0.7
125.02464	13.8
127.04033	0.6
128.97060	0.3
131.03516	1.5
133.05087	1.0
139.04012	1.0
141.01930	1.0
143.03516	6.4
143.77451	0.3
149.04572	0.9
152.99669	0.3
161.04572	7.1
167.03546	1.2
169.05035	0.6
171.03043	0.4
179.05630	6.7
188.36626	0.3
199.06129	0.6
203.05644	0.5
211.81476	0.3
217.07225	1.2
219.05174	0.4
221.06656	2.3
235.08257	15.3
236.08638	0.9
237.22371	0.3
245.06674	1.1
253.09259	3.3
255.23322	100.0
256.23672	6.5
256.26358	0.4
259.08234	0.4
262.42706	0.3
263.07755	1.4
269.24817	0.7
277.09351	0.9
284.03149	0.4
287.07751	3.6
305.08786	4.9
323.09937	1.8
361.11209	0.4
379.12469	1.2
397.13538	91.8
398.13873	6.1
402.79211	0.3
415.14612	33.3
416.14893	2.4
595.28931	0.4
653.26044	1.5
653.36737	0.4
654.27063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03456	1.4
58.00595	1.9
59.01387	47.8
60.01706	0.4
61.98838	0.9
66.63744	0.2
67.15032	0.3
68.99826	0.7
69.03481	2.3
71.01392	37.1
71.30521	0.5
72.01743	0.4
72.99323	3.1
73.02959	6.1
75.00891	1.0
76.68559	0.2
77.08126	0.3
78.03251	0.3
78.63151	0.3
81.03474	1.9
83.01402	4.6
83.05029	0.3
84.35014	0.3
85.02968	8.6
87.00889	9.7
87.04514	0.4
89.02455	35.3
90.02788	0.5
91.04033	0.7
93.03495	0.3
95.01392	2.2
95.56616	0.3
96.30330	0.3
97.02964	6.6
99.00886	2.2
99.04543	0.7
101.02461	30.0
102.02814	0.6
103.00389	0.3
103.04042	0.4
109.02987	0.7
111.00901	0.4
111.04543	0.9
112.01699	0.3
113.02472	15.4
115.04044	0.8
119.03522	9.3
119.04347	0.6
121.02965	0.9
123.04535	0.4
124.01723	0.4
125.02471	13.2
127.04083	0.3
131.03517	1.7
133.05078	1.0
139.04021	1.1
141.01971	0.6
143.03529	6.8
149.04597	1.3
157.05086	0.3
161.04594	7.5
167.03523	0.7
169.05107	0.7
171.03036	0.3
179.05643	7.2
179.07216	0.4
185.04594	0.7
199.06169	0.7
200.33563	0.3
203.05629	0.5
217.07211	0.9
219.05104	0.6
221.06664	2.6
235.08250	13.4
236.08517	0.8
245.06598	0.7
253.09334	3.7
255.23323	100.0
256.23663	7.5
263.07761	1.6
269.24838	0.8
277.09387	0.9
287.07748	3.4
305.08841	3.8
323.09921	1.8
361.11462	0.5
379.12439	1.1
397.13538	82.7
398.13898	5.4
415.14615	30.4
416.14862	1.9
624.25659	0.3
653.26508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.4
61.98822	10.9
65.85751	2.9
71.01379	9.2
71.53963	3.3
78.95901	9.8
80.41326	2.6
87.00896	3.7
88.98802	4.4
93.03452	7.4
96.96004	6.5
97.02994	3.8
101.02445	5.9
109.06591	5.8
113.02444	4.6
114.60451	2.8
119.05000	6.2
123.42141	3.3
125.09690	7.9
135.04521	5.8
147.35506	2.7
163.11264	6.4
171.10252	13.5
173.04544	7.5
179.03650	3.9
181.05078	4.7
185.11902	6.1
191.05620	19.6
207.10243	22.4
209.11856	26.5
210.11978	4.0
225.11436	14.6
229.12337	3.2
235.08203	4.7
253.09206	4.9
399.21939	8.4
417.22778	8.0
438.02438	4.0
461.20294	6.0
465.21335	4.4
572.25562	3.2
617.30426	4.1
635.30371	12.2
653.31873	37.5
653.44092	100.0
654.32233	10.1
654.44446	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	655.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48748	0.5
57.03450	0.8
59.01373	1.7
63.88607	0.6
65.00321	1.0
70.32887	0.6
78.95892	0.5
79.95739	0.5
83.01389	0.6
83.80283	0.6
84.87733	0.6
85.02940	0.8
93.03459	5.4
96.96018	6.2
98.20747	1.2
107.01426	1.4
121.02939	1.0
125.02412	1.1
132.02141	0.9
133.02972	3.4
135.04544	0.9
137.02470	1.8
149.06152	0.9
151.00359	3.5
152.01184	0.7
161.02419	0.8
163.04108	0.7
167.03465	1.7
173.04558	2.6
175.03918	1.1
179.03462	0.8
183.04547	0.9
187.03757	0.6
191.05611	5.0
209.11823	1.8
211.04042	1.1
227.03531	1.1
229.49551	0.9
255.03012	100.0
256.03540	10.1
267.08902	1.5
268.03738	1.2
269.04544	0.6
283.02496	88.7
284.03244	35.1
284.06503	1.0
285.04044	40.5
286.04318	2.9
296.03448	2.8
297.03970	1.4
298.04932	0.7
305.81735	0.6
313.03458	4.3
325.03601	2.4
327.05087	0.7
336.46024	0.6
382.34799	0.6
445.07861	5.9
446.08554	87.5
447.09143	23.4
448.09531	0.9
449.14725	0.9
463.10504	1.6
475.10220	4.5
478.05640	1.1
489.10303	0.8
493.11377	2.4
575.12665	1.0
625.16003	0.9
655.16687	12.9
656.17358	2.6
656.28070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01380	1.7
61.98819	0.8
65.00336	0.6
70.85383	0.9
73.02928	0.4
73.58905	0.3
76.74620	0.3
80.47536	0.3
81.03505	0.4
83.01358	0.4
83.05029	0.9
85.02950	0.8
87.00887	0.5
89.02512	0.4
93.03471	10.2
96.96035	1.7
99.04521	0.5
101.02444	1.1
107.01396	1.0
109.02978	0.3
111.04562	0.3
111.48519	0.3
113.02442	0.5
115.90231	0.3
125.02485	0.8
133.03000	0.7
134.03725	0.3
135.04535	0.9
137.02458	10.2
149.02481	0.4
151.00372	2.0
161.02539	0.5
161.04474	0.4
163.11311	1.3
165.12843	0.8
171.10280	1.0
173.04636	0.8
179.03528	0.5
183.04488	0.7
185.02519	0.3
191.05630	4.0
199.04031	0.5
201.05605	0.6
209.11847	30.7
210.12178	0.8
211.04022	0.5
215.07126	0.4
219.06650	0.8
227.03584	1.0
227.12885	1.7
247.13373	0.7
253.09341	1.5
255.03017	63.1
256.03696	14.1
257.03955	0.5
283.02512	100.0
284.03232	40.6
285.03973	9.4
286.04440	0.6
373.25992	1.4
419.23416	0.3
446.08374	0.7
463.10510	1.0
475.10379	1.1
493.11343	4.7
494.11578	0.8
535.62494	0.3
575.12134	2.6
637.32068	1.0
654.34998	0.5
655.34467	1.2
656.15210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42619	0.6
59.01392	0.9
63.02425	0.9
65.00341	1.2
69.68663	2.2
69.69072	1.1
85.02950	0.8
87.00957	0.6
93.03467	5.1
96.96026	4.5
99.04498	0.7
101.02464	0.6
107.01405	1.1
119.05011	2.3
121.02962	1.3
125.02434	0.6
133.02951	1.7
135.04497	0.8
137.02441	4.6
149.02359	1.0
151.00375	3.9
159.04463	0.7
161.02409	1.6
163.04041	2.0
173.04617	1.4
175.04088	1.5
179.03535	1.2
191.05661	3.0
194.05896	0.7
199.04030	1.2
209.11815	3.2
211.04022	0.9
217.04987	1.0
227.03511	1.2
255.03006	100.0
256.03543	11.1
268.03760	0.8
269.04538	0.9
281.04666	1.3
283.02505	91.9
284.03220	39.2
285.04050	56.3
286.04382	3.3
296.03214	2.6
297.03973	2.8
313.03580	5.6
314.03995	0.7
325.03583	2.7
327.05099	2.0
344.42819	0.6
367.04514	1.0
445.07806	6.4
446.08566	98.8
447.09189	27.0
448.09714	2.2
463.10593	1.2
475.10394	4.7
476.10760	0.7
488.10007	0.9
493.11325	3.5
655.16821	13.7
656.17212	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
68.99828	0.9
69.38394	5.1
71.01398	6.1
73.02940	1.1
83.01380	2.6
84.31577	0.7
85.02959	2.8
93.03464	30.5
94.03806	0.7
95.01405	1.5
96.95987	1.6
96.99298	1.1
98.19846	1.1
101.02452	5.9
106.30833	0.6
108.02162	2.0
109.02953	3.8
113.02454	2.8
119.05038	1.8
121.02998	4.0
122.03756	1.9
123.04532	1.5
131.33916	0.7
134.03719	1.5
136.01646	2.4
136.05270	1.5
137.02458	51.8
138.02794	1.6
147.04567	7.8
148.05333	8.3
149.02452	1.0
149.06042	0.9
150.03197	2.4
151.03983	1.4
158.03670	1.2
159.04533	5.7
160.05301	12.3
161.06102	12.1
162.06842	3.2
163.04036	3.5
164.04803	1.9
173.06056	1.5
175.07631	12.1
177.05588	3.3
178.06375	3.6
179.03400	0.7
191.03613	1.1
191.05518	1.4
193.08678	1.7
209.11867	0.9
221.04523	0.7
269.07980	0.8
281.03604	1.6
281.06680	26.0
283.09860	1.2
284.10602	4.3
285.11319	1.1
297.11176	0.7
299.12857	8.2
315.12488	2.3
329.13940	12.9
330.14374	0.8
373.12985	2.8
415.44800	0.8
535.17975	1.9
655.20349	100.0
656.20636	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	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.93898	0.9
61.98840	11.1
63.83460	0.9
71.01382	1.1
71.25232	2.4
74.39778	1.1
78.95897	1.5
81.84339	1.0
94.12569	1.1
96.99303	1.5
97.02969	1.2
120.02637	0.9
120.42121	1.0
126.01295	1.1
126.23181	1.0
135.85509	1.0
141.01718	65.8
152.99583	1.5
173.03041	1.1
209.11823	2.9
246.29408	1.2
275.06235	4.1
277.21692	2.5
391.19641	2.2
535.27319	3.6
595.29382	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	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01724	1.2
61.98840	6.3
63.05916	0.9
66.97252	0.8
69.15664	4.0
69.16090	5.1
71.01395	2.6
86.30273	0.9
89.51537	0.8
91.32349	0.8
92.78332	0.8
96.99363	1.0
97.02961	1.8
101.00963	1.1
101.14906	0.9
141.01718	58.9
142.05081	1.2
152.99561	1.1
209.11836	2.7
211.13550	1.1
213.36360	0.9
259.50427	1.0
260.35077	1.0
275.06274	7.3
277.21829	3.3
317.07126	2.0
335.08536	1.0
336.92401	0.9
359.21606	1.8
391.19571	5.1
435.57468	1.0
527.83228	1.0
535.27686	9.1
536.27942	1.4
595.30078	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
57.03450	0.2
58.00585	0.1
58.51559	0.1
59.01381	1.9
61.98809	0.1
69.03478	0.1
70.16957	0.1
71.01389	1.8
71.54422	0.1
72.99321	0.2
73.02946	0.3
74.62846	0.1
75.00916	0.1
79.05526	0.2
80.02682	1.0
81.03464	1.0
83.01412	0.4
83.05034	3.9
84.02162	0.4
85.02966	0.6
87.00871	0.4
89.02458	1.3
93.03470	0.5
95.01408	0.1
95.05045	0.6
96.00853	0.1
96.96014	0.3
97.02953	0.2
97.06605	0.3
99.04528	0.1
101.02453	1.6
107.01430	0.1
109.06597	0.4
111.00864	0.1
113.02458	1.0
115.04011	0.1
119.03522	0.3
119.05070	0.1
123.08224	0.1
125.02498	0.2
125.06111	0.5
125.09727	0.7
127.11308	0.1
129.46646	0.1
131.10083	0.1
135.08173	0.8
137.02448	0.5
137.09726	0.1
145.05095	0.2
147.11786	0.3
149.09691	0.2
151.11316	0.1
153.01933	0.1
161.04637	0.7
163.11298	3.5
164.11574	0.1
165.12851	2.2
171.10274	2.2
172.10651	0.1
173.04552	0.4
177.05502	0.1
177.09244	0.1
179.05589	0.2
181.12396	0.6
185.11885	0.6
187.67409	0.1
191.05614	1.0
191.10789	1.0
203.14479	0.2
207.10245	0.6
209.11841	100.0
210.12167	4.9
210.14244	0.1
211.13409	1.0
215.07025	0.1
219.06729	0.1
219.13814	0.1
221.15340	0.1
225.11348	0.2
227.12898	5.4
228.13208	0.3
231.13853	0.2
232.26552	0.1
235.08231	1.5
247.13383	1.1
249.14999	0.8
253.09300	4.8
254.09578	0.2
255.02896	0.1
265.14511	0.4
285.04044	0.4
339.23050	0.2
383.22382	0.6
391.24863	0.1
401.23325	1.4
402.23520	0.1
419.24451	0.7
437.25534	0.2
445.20801	1.2
446.20999	0.2
469.74875	0.1
473.08636	0.1
607.81622	0.1
619.30927	0.2
637.32239	3.4
638.32843	0.6
650.45636	0.1
655.33411	1.2
656.33496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36042	0.2
57.03459	0.3
59.01385	3.2
59.45419	0.2
61.98812	0.5
67.01895	0.4
69.03464	2.0
69.86135	1.1
70.27698	0.2
71.01382	2.5
71.05013	0.4
73.02948	0.6
78.60192	0.2
80.02672	0.5
81.03464	0.8
83.01389	0.5
83.05036	3.3
84.02175	0.4
85.02953	0.8
85.81430	0.2
87.00864	0.5
89.02460	1.5
93.03482	1.2
95.01374	0.3
95.05025	0.7
96.96021	1.0
97.02961	0.2
97.06593	0.3
101.02445	1.9
109.06551	0.6
109.78215	0.3
111.08167	0.4
113.02471	1.0
119.03504	0.6
119.05013	0.3
121.02946	0.2
125.06152	0.2
135.04495	0.3
135.08180	0.6
142.83626	0.2
147.11772	0.3
153.09225	0.7
161.04567	0.8
163.04015	0.4
163.11296	2.2
165.12878	3.2
171.10304	1.9
173.04552	0.7
177.02036	0.2
179.05673	0.4
181.12343	2.3
191.05652	1.1
191.10794	4.5
192.11052	0.3
199.44482	0.2
205.12413	0.2
207.10239	1.1
209.11839	100.0
210.12173	5.5
210.14243	0.3
211.13412	2.0
221.11922	0.3
223.06128	0.3
225.11362	1.5
227.12914	9.1
228.13158	0.6
235.08226	2.2
247.13440	1.4
253.09311	6.4
254.09587	0.3
255.03149	0.3
368.18414	0.2
383.22705	0.3
401.23407	0.9
419.24173	0.3
445.20917	3.8
446.21100	0.5
461.20453	0.4
563.74915	0.3
619.31561	0.5
637.32007	1.2
655.33246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62857	1.3
53.60617	1.0
59.01379	3.3
61.98835	3.5
69.23623	10.4
91.51938	1.2
93.03482	4.1
96.96032	8.3
118.98100	1.4
124.77248	1.3
133.02943	3.3
135.04506	1.7
149.02460	1.4
151.00526	2.2
173.04532	3.0
175.04037	2.1
191.05620	15.3
192.06023	1.8
199.04045	2.1
284.03290	13.4
285.04068	100.0
286.04526	6.7
323.22250	1.5
371.29102	1.4
397.77917	1.2
454.26965	1.1
593.15143	70.6
594.15576	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	657.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62245	0.5
68.80911	0.6
70.07853	0.6
70.98480	0.6
71.01362	1.6
71.52702	0.6
82.15527	0.7
85.02945	2.8
89.02457	0.8
95.01405	0.9
101.02466	1.1
108.02182	52.6
108.12016	0.5
109.02979	14.8
110.03290	1.0
113.02424	1.1
121.02934	0.7
123.00878	1.0
128.03548	1.2
133.02946	0.7
135.04500	0.6
151.04036	0.8
152.01163	47.0
153.01959	18.4
163.04025	0.9
165.01927	1.5
193.38663	0.6
213.12555	0.7
248.23366	0.6
264.93414	0.6
272.22351	0.6
315.07245	100.0
316.07559	4.7
341.05441	0.6
399.03256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55918	0.8
59.01385	100.0
71.01362	1.7
71.54385	1.3
85.02956	1.5
87.00891	2.2
89.02486	1.8
93.03471	2.1
93.73443	0.8
94.11623	0.8
96.96016	10.6
121.02929	1.7
123.04488	1.4
133.02907	1.1
134.03719	1.4
135.04573	6.4
137.02463	4.8
149.06184	1.0
151.03931	2.1
161.02441	8.3
162.03146	0.9
162.26225	1.0
165.01938	38.6
166.02214	1.0
173.04576	1.9
176.04770	3.2
179.01932	1.4
179.03523	25.5
180.04305	27.4
181.04688	1.3
189.01640	1.2
191.05630	15.0
191.07175	1.7
194.05850	11.5
194.88524	1.1
195.02985	1.5
195.06639	44.7
196.06978	1.4
201.01733	1.5
209.08220	26.6
209.11780	3.3
210.05338	8.3
210.08461	1.8
225.07697	85.4
226.08018	3.8
251.40517	0.9
357.09946	2.7
372.12091	5.6
375.06915	5.2
387.14496	33.1
388.14731	2.7
435.11307	1.7
435.16702	20.4
436.16864	2.4
657.14349	11.3
658.14825	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	657.241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68078	0.7
59.01385	54.8
59.15148	0.7
61.98824	3.4
71.01383	1.8
74.99090	1.3
85.02969	1.5
87.00867	0.9
88.98795	1.4
93.03465	2.1
96.96030	4.7
101.99728	0.8
118.98100	1.0
135.04509	1.8
137.02460	5.0
139.72304	0.7
161.02466	4.8
165.01932	33.6
166.02191	1.0
166.84126	0.8
167.03404	1.7
173.04529	1.7
176.04791	2.7
179.03514	11.3
180.04289	26.6
191.05609	8.5
191.07056	0.9
194.05872	8.5
195.02946	1.4
195.06635	45.7
196.06929	2.1
209.08191	21.0
209.11633	1.2
210.05344	7.7
210.08528	1.5
225.07697	100.0
226.08022	5.0
227.32797	0.7
387.14368	1.0
435.16727	7.0
596.42395	0.8
657.14398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.7
59.52351	0.4
61.98823	1.2
62.05610	0.5
68.99570	1.2
69.03480	0.5
70.19699	0.4
71.01388	3.0
73.02944	0.6
78.95910	0.4
79.95751	0.4
80.02693	1.1
81.03458	1.2
83.01400	1.0
83.05040	3.8
84.02143	0.5
85.02953	1.2
87.00885	1.0
89.02462	2.6
91.62695	0.4
93.03467	1.4
95.01399	0.5
96.96007	3.2
98.20693	0.7
99.00882	0.5
99.04476	0.4
101.02460	3.9
109.06599	1.0
112.98573	1.2
113.02444	1.6
119.03529	0.6
119.05041	0.5
135.04532	0.8
135.31789	0.4
142.46149	0.5
143.03513	0.5
145.05061	0.5
161.04567	1.8
163.11282	3.4
165.12863	2.1
167.14410	0.7
171.10229	2.4
173.04594	1.3
181.08784	0.6
181.12286	0.7
183.13908	6.1
184.14270	0.6
191.05629	4.2
191.10762	0.7
193.12347	1.6
207.10278	1.8
209.11842	84.9
210.12169	4.9
211.13411	100.0
212.13780	5.2
213.11467	0.4
213.14952	1.5
223.13412	0.9
225.11342	2.0
227.12900	11.9
228.13179	0.6
235.08282	3.9
249.14964	1.4
253.09325	8.2
372.79034	0.4
403.24850	0.8
445.20618	0.7
447.22485	3.0
448.22693	0.8
461.20563	0.5
639.34106	0.8
657.32886	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	659.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17226	0.8
55.20834	0.8
56.91566	0.9
59.01368	3.0
59.37217	0.9
61.98834	12.0
63.96239	1.5
69.49130	0.8
71.01391	6.4
73.02960	1.2
78.95905	5.1
78.98608	4.6
79.95745	9.6
80.58004	0.9
80.96526	55.8
85.02942	2.8
87.00873	2.9
87.35510	0.8
93.03437	1.0
94.98097	13.5
97.02957	1.3
101.02428	2.4
106.98119	1.8
122.97593	4.4
125.02457	3.7
134.97575	3.3
136.99216	1.6
141.01692	2.3
145.04988	1.0
148.99139	5.4
152.98605	5.1
152.99660	2.5
164.98639	10.2
171.00618	1.0
191.05614	2.5
206.99715	2.0
209.11792	1.2
225.00787	14.4
273.04422	1.1
277.21674	2.1
299.04459	10.8
396.36172	0.9
577.26904	100.0
578.27148	13.1
599.23682	1.3
658.80896	1.2
659.33783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96947	0.7
57.03426	1.9
59.01382	10.8
60.99279	1.7
61.98826	1.3
67.01907	3.6
68.99549	3.0
69.03441	1.5
71.01030	0.7
71.01389	9.5
71.54723	1.1
73.02925	2.3
78.24317	0.6
79.95724	1.2
80.02653	1.0
80.96511	0.9
81.03452	1.6
83.01340	1.2
83.05035	3.6
85.02959	10.0
87.00870	5.6
88.04042	3.6
89.02420	3.0
93.03471	22.9
94.03813	0.7
95.05045	1.0
96.96030	7.9
97.06577	2.9
99.00809	0.8
101.02457	4.4
109.02956	1.4
109.06615	0.8
111.00904	0.7
111.04572	3.5
111.08134	2.1
112.98567	3.3
113.02438	1.2
115.00343	1.6
119.03524	1.2
119.05037	1.0
127.03992	2.5
135.04501	1.3
137.02448	1.2
143.53937	0.8
151.11299	8.8
155.03447	1.3
155.07149	0.8
161.02428	1.2
161.04614	1.0
163.11313	1.4
165.12885	1.7
169.12354	45.8
170.12688	2.2
171.10287	1.9
173.04562	20.8
173.06020	1.3
175.04054	1.0
185.11832	1.8
186.06958	1.0
187.07695	2.0
191.05634	100.0
192.05986	4.2
195.10275	2.2
197.11847	2.4
199.04013	0.9
200.04788	1.1
201.05513	1.0
201.09496	0.8
203.07204	1.5
209.11845	35.8
210.12207	3.5
211.07932	0.7
211.13451	1.7
213.11328	6.8
214.11728	0.9
215.07205	2.6
225.05708	0.6
225.11382	0.8
227.12910	5.6
228.07777	0.8
229.08723	1.6
232.07388	3.6
233.08266	2.2
248.97034	0.7
253.09404	3.6
253.12021	0.8
255.07137	0.7
273.07797	1.7
283.13297	1.2
297.14999	1.2
325.14389	1.2
326.15363	1.4
329.13522	2.8
344.16629	1.4
370.14371	1.0
423.21973	0.9
431.19257	1.9
449.20291	6.5
470.12775	1.0
471.15778	1.2
500.29913	2.3
519.19379	1.0
562.21136	2.4
615.32214	10.5
616.32330	0.9
641.32239	1.9
659.33539	50.1
660.34198	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	659.432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56171	0.6
59.01387	100.0
60.01733	0.8
61.98843	5.5
77.42248	0.6
78.95915	4.0
152.99649	2.3
225.11313	1.3
229.05132	0.6
255.23615	0.6
279.23376	2.2
379.11850	0.9
433.90192	0.6
659.35583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45006	0.7
59.01384	100.0
60.01701	0.8
61.98835	14.4
70.74789	1.2
78.95919	2.7
80.96514	3.9
94.98141	1.2
104.54763	0.9
141.01711	74.9
142.01988	1.1
152.99622	0.9
191.05621	1.5
204.66011	0.7
225.00690	1.2
279.23392	4.1
504.31009	3.0
578.27258	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	661.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68786	0.5
55.45570	0.6
57.03470	0.7
59.01388	3.2
61.98831	2.3
67.01896	0.8
67.63743	0.6
69.19563	4.7
69.19987	1.7
71.01394	7.2
72.99323	0.8
73.02969	0.9
76.01504	0.6
79.95712	0.7
85.02962	11.5
87.00893	2.1
89.02466	1.3
93.03475	5.5
96.96021	8.7
101.02447	1.5
108.02200	0.6
108.36057	0.7
109.03006	1.2
111.04537	1.5
115.00398	8.9
123.04537	0.6
127.04005	2.5
133.01448	14.2
134.03746	1.4
146.03740	1.3
152.79022	0.7
159.04535	2.5
173.04559	2.5
191.05635	100.0
192.05951	3.4
193.05046	3.6
203.51796	0.6
209.06190	0.8
237.05530	2.1
238.06281	1.4
238.18144	0.7
248.04793	1.2
249.05652	1.8
251.03526	0.9
264.04324	3.4
265.04984	3.2
266.05881	6.4
267.06540	2.8
268.07422	3.4
276.04358	2.9
277.05109	5.4
278.05701	0.7
281.08206	1.2
283.09711	7.6
292.03864	1.7
293.04590	23.0
294.05307	10.7
295.05853	1.1
299.05606	2.2
309.07712	55.0
310.08023	4.9
319.13849	1.6
327.08749	4.6
335.05606	4.8
353.06668	30.3
354.07043	2.8
371.07462	1.3
396.09808	0.7
501.14294	3.0
527.12769	1.0
545.13098	12.0
546.13556	2.1
661.18097	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	661.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
70.84201	0.9
71.01387	0.7
73.02943	0.4
76.97008	0.4
79.95746	14.8
80.79671	0.3
80.96529	0.6
81.03499	0.3
85.02940	0.5
87.00911	0.4
93.03468	2.5
95.95245	7.5
96.96022	100.0
98.95604	0.5
101.02447	0.3
102.60721	0.3
110.97586	3.7
117.03505	0.4
118.06348	0.3
119.05042	16.2
120.05355	0.6
123.00878	0.4
128.03516	0.5
132.79465	0.4
135.04524	0.9
137.02417	0.4
139.59041	0.3
145.02943	1.1
150.05629	0.3
151.00439	0.7
152.01126	1.0
153.01794	0.3
155.03487	0.3
161.02466	0.6
163.04025	12.9
166.02708	1.9
167.00185	0.5
167.03519	0.4
171.10266	0.6
173.04529	1.8
178.02583	0.3
179.03389	0.4
181.05087	0.8
191.05634	5.4
192.06055	0.5
193.05057	0.3
199.09908	0.4
238.06366	0.5
254.66180	0.3
275.02225	1.0
277.08853	0.5
278.05640	0.4
285.04044	2.3
297.07660	0.9
306.05301	0.8
307.06198	0.5
321.07675	1.3
322.08286	0.5
325.07193	1.6
337.07175	1.4
340.09555	1.5
352.09827	0.4
355.08630	1.8
355.11905	2.2
357.09604	0.4
367.11932	2.7
370.10678	0.9
375.05191	0.4
385.12949	2.9
485.07370	1.2
497.11349	1.1
500.10104	1.3
515.12299	21.1
516.12958	1.8
581.20325	0.8
611.45703	0.4
661.15973	46.1
662.16187	6.5
662.26154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14799	0.4
58.33838	0.5
59.01389	1.4
71.01383	0.7
73.02953	0.4
77.77731	0.4
79.95747	16.4
80.96512	0.6
85.02950	0.7
88.69188	0.4
93.03470	2.1
95.95253	6.9
96.96021	100.0
98.95610	0.9
110.97594	4.5
117.03487	1.3
119.05043	16.3
133.02986	0.6
135.04482	0.7
137.02457	0.8
141.95808	0.6
145.02975	3.6
151.00401	0.6
152.01128	0.7
161.02486	0.7
163.04019	10.5
164.04576	0.5
166.02702	1.4
167.00229	1.7
173.04622	2.1
177.01953	0.7
177.05580	0.8
179.03505	1.2
191.05598	4.4
191.07193	0.6
192.05925	0.6
198.00484	0.4
202.41032	0.4
237.41612	0.5
289.03784	1.3
361.05969	0.6
408.98996	0.5
485.07742	2.2
493.92743	0.5
497.11444	0.9
500.10062	2.6
515.12292	41.8
516.12646	4.0
581.20428	0.9
661.16003	48.6
662.16394	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	661.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59852	0.3
56.18818	0.3
57.03451	0.5
59.01380	2.0
60.99300	0.5
61.98833	1.3
67.01897	1.6
69.03469	0.6
69.87678	1.5
71.01383	1.7
73.02956	0.5
80.96506	0.3
83.05044	0.6
85.02956	9.9
87.00879	3.3
93.03470	11.4
96.96038	2.0
98.20541	0.6
99.04520	0.4
105.03461	0.6
108.02200	0.5
109.02956	1.7
111.04517	2.0
113.02486	0.6
116.92918	0.3
117.58321	0.3
119.05022	0.9
121.02956	0.9
122.18255	0.3
124.01627	0.8
125.02502	0.4
127.04027	2.8
132.02159	2.1
133.02972	6.2
134.03801	2.2
135.04539	20.3
136.04858	0.6
137.02464	1.5
145.02928	0.6
150.03159	0.4
151.04021	1.3
151.11322	0.3
155.03511	0.9
160.01674	2.5
161.02458	15.1
161.05890	0.4
162.02740	0.8
163.03986	0.9
169.12392	1.6
171.02940	0.9
171.10231	0.9
172.05360	0.8
173.04584	7.9
173.06032	0.8
174.03244	1.9
174.04645	0.4
175.03856	0.4
177.01945	1.6
178.02748	1.2
179.03529	5.1
187.03995	0.6
191.05626	100.0
192.05949	3.2
192.77118	0.3
197.11852	1.1
199.03989	0.6
199.09734	0.6
200.04953	0.4
201.11435	0.4
209.11749	0.5
211.03944	1.0
215.05672	1.2
222.07109	0.4
227.03555	0.5
229.14473	0.4
239.03610	0.4
240.04295	0.4
241.10794	0.4
242.93736	0.4
253.05002	0.7
269.11877	2.0
290.08243	0.4
297.11349	0.4
307.08218	0.5
308.08972	1.0
309.20798	1.8
351.07193	4.0
352.07898	1.0
353.08807	1.9
381.13196	1.2
382.14410	1.7
399.14462	2.9
400.15329	1.9
401.15164	0.4
407.22568	0.8
425.23303	4.2
426.23840	0.4
443.24377	3.3
444.24655	0.5
451.21021	1.6
469.22351	18.5
470.22653	2.3
487.23395	1.2
625.01361	0.4
629.31927	1.6
661.28680	11.1
662.29474	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95336	0.5
59.01376	1.8
60.15584	0.5
60.99313	1.1
61.98843	1.9
67.01888	5.0
68.99565	1.2
69.03454	1.1
69.79749	2.7
71.01387	2.7
73.02941	0.6
77.61629	0.5
81.03468	1.8
82.95411	0.8
83.05021	1.1
85.02950	7.6
87.00889	6.3
93.03467	34.3
94.03796	1.1
96.96024	4.1
97.02922	0.7
99.00907	1.1
99.04517	0.9
107.05105	0.7
108.02193	2.0
109.02972	2.9
111.04543	4.8
112.98589	1.4
115.04005	0.5
119.05048	1.3
121.02958	1.8
122.03729	0.8
124.01685	3.5
125.02444	2.1
126.03275	0.7
127.04053	3.1
132.02185	1.3
133.02956	8.6
134.03757	5.4
135.04536	66.9
136.04889	1.8
137.02473	3.7
143.03416	0.6
150.03198	2.7
151.04018	7.2
155.03499	1.5
160.01649	0.8
161.02451	6.3
163.03969	1.2
171.10284	2.3
173.04564	21.3
173.06059	1.3
174.03215	1.2
177.01898	2.5
178.02731	2.3
179.03517	16.4
180.03955	1.1
191.05621	100.0
192.05965	2.4
199.09758	0.8
210.76550	0.5
211.13420	1.6
215.05577	2.9
265.12469	0.8
268.95654	0.5
269.11902	1.5
287.12933	0.8
290.08020	0.7
297.11591	0.8
307.08243	3.8
308.09045	10.0
309.09467	0.7
309.20651	1.6
351.07202	9.6
352.08020	8.6
353.08606	3.4
382.14221	0.6
400.15189	1.4
407.22263	0.8
425.23349	4.8
443.24356	3.6
451.21255	2.9
469.22339	26.1
470.22552	3.2
471.15451	1.0
487.23264	1.6
616.75641	0.6
661.28674	44.0
662.29108	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	661.345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	4.5
59.01389	56.7
61.98813	10.3
71.01389	46.4
71.54514	5.5
77.50665	3.9
80.96548	5.8
83.01379	7.6
85.02962	9.7
87.00867	16.7
89.02451	52.7
101.02468	27.6
105.60876	4.5
113.02469	31.2
119.03543	20.6
143.03510	8.8
161.04572	11.9
179.05582	17.5
187.90402	3.9
277.21729	100.0
278.21982	8.9
285.66306	4.2
323.09772	22.9
341.10910	52.7
387.95920	4.1
419.03741	4.5
579.27094	6.2
601.31903	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	662.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93022	0.6
52.13552	0.6
57.03460	1.2
59.01385	15.5
59.42936	0.7
61.98817	0.7
67.01867	0.9
71.01392	10.1
72.99299	0.7
73.02952	1.7
77.02637	0.6
79.95728	0.8
83.01390	1.4
84.04553	1.6
85.02965	4.5
87.00928	1.4
89.02441	5.5
93.03489	3.8
95.01426	1.2
96.96019	23.8
97.06612	1.5
98.10356	0.6
98.95609	2.7
101.02448	8.0
102.05618	8.3
111.04529	1.3
113.02476	3.9
119.03490	2.3
128.03558	24.1
133.03043	0.8
134.03688	0.7
135.04488	1.3
137.02481	1.5
139.11299	1.1
146.04578	2.8
155.03506	1.5
161.02464	1.4
167.03452	1.5
173.04581	4.4
173.05835	0.8
179.03479	1.4
185.11859	2.9
191.05656	9.2
192.05873	0.7
198.18546	1.5
206.57565	0.7
207.84027	0.6
243.15962	1.5
290.44022	0.7
291.19687	2.2
300.91345	0.8
309.20721	1.0
327.21790	0.9
341.23605	0.7
353.23474	3.3
371.24414	6.3
438.28525	0.8
456.29495	1.0
489.27237	8.9
515.28613	1.7
533.29742	16.6
534.29999	2.4
618.34540	1.2
644.32501	3.4
645.32605	0.8
662.33978	100.0
663.33704	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	663.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28724	0.3
68.66724	0.3
70.28716	0.2
70.89182	0.7
73.36373	0.2
76.71011	0.2
79.95745	7.6
80.96527	1.7
81.83353	0.3
90.58069	0.2
94.98097	0.4
95.94619	0.3
95.95243	10.8
96.96021	100.0
97.95970	0.3
109.02966	0.2
110.97599	0.7
121.03019	0.2
122.97587	2.7
134.03769	0.3
136.01672	9.1
137.02391	1.1
141.95752	0.3
149.02480	0.3
150.03229	1.2
151.00398	1.3
151.04019	8.7
152.04361	0.5
152.85641	0.2
155.36540	0.3
162.03261	1.1
163.04004	0.5
165.05618	1.2
166.02734	3.6
167.17453	0.2
174.63933	0.2
177.05573	1.1
181.05069	3.8
195.06657	0.5
223.67116	0.2
258.02054	1.1
259.02792	0.3
275.02344	6.3
276.02722	0.3
357.09882	2.3
372.12109	0.9
387.14514	2.0
631.78033	0.3
663.17572	32.3
664.17804	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	663.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98623	0.5
59.01377	1.2
69.46438	3.2
71.01385	0.9
79.95744	7.3
80.96524	1.3
89.02445	0.7
93.03468	0.5
94.98099	0.7
95.95243	8.5
96.96020	100.0
98.20664	0.9
101.02424	0.6
102.05620	1.0
122.97585	1.8
122.98457	0.4
128.03635	0.9
132.02100	0.5
136.83086	0.4
150.03206	1.0
151.03908	0.4
160.01697	1.1
162.03255	0.9
163.03972	0.8
165.05554	1.0
173.04546	1.3
177.02010	0.5
177.05658	0.8
179.07178	0.5
191.05637	1.9
201.11293	0.6
222.05283	0.5
258.02066	1.4
268.07465	1.6
275.02283	5.2
280.07397	1.0
283.09802	1.9
284.06915	0.6
295.06152	0.5
296.06839	1.0
297.07837	0.5
299.09177	1.1
308.06848	1.7
309.07739	1.1
311.09305	0.7
312.06439	2.3
322.08319	1.4
323.09335	2.6
324.06284	1.4
324.10052	1.8
327.08777	6.2
338.11673	0.8
339.08731	8.3
339.12347	1.0
340.09119	0.8
342.11124	6.2
343.11496	0.7
354.11096	3.2
357.13419	8.6
358.13913	0.6
369.13428	7.0
663.17535	34.9
664.18011	5.8
664.35028	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01385	4.6
59.81577	0.5
69.24814	4.1
71.01397	3.2
74.74670	0.6
79.49502	0.6
79.95747	6.4
80.96535	1.7
85.02940	1.1
89.02458	1.4
90.26006	0.6
90.52193	0.5
93.03461	2.0
95.95261	7.9
96.96024	100.0
98.95618	1.1
99.92607	0.7
101.02457	1.4
102.05623	1.9
105.47749	0.5
110.97581	0.7
113.02470	1.6
116.92906	1.3
120.96494	0.5
122.97608	1.1
128.03586	2.7
135.04549	1.3
136.01721	0.7
137.02467	1.0
152.01193	0.8
160.01659	1.1
161.02461	1.0
162.03204	0.8
163.04092	0.7
165.05556	0.9
167.03514	1.2
173.04584	2.8
174.84468	0.6
175.04027	0.9
177.05586	1.0
179.03517	1.1
187.41913	0.6
191.05641	4.5
193.97575	0.6
198.92592	0.6
201.11295	1.4
206.07228	0.6
240.07799	0.6
253.09329	0.6
258.02087	1.0
268.07413	2.5
271.09711	0.9
275.02356	5.8
283.09879	1.4
284.06903	0.7
295.06137	0.7
296.06961	1.3
297.07346	0.6
308.06985	1.5
309.07614	1.5
311.09381	0.6
312.06418	2.7
312.09787	1.0
323.09305	3.1
324.06473	1.2
324.09985	1.6
327.08804	4.5
338.11612	0.8
339.08810	8.0
339.12540	1.4
340.09180	1.0
342.11118	6.3
354.11148	1.7
357.13474	9.6
358.13892	1.0
369.13406	6.7
408.76074	0.6
489.27383	0.7
544.08154	0.6
662.34113	2.4
663.17639	34.9
663.33569	2.7
664.17798	5.5
664.35028	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	663.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98843	0.6
69.14289	0.4
70.66287	1.0
71.01388	0.8
78.95896	0.7
85.02973	0.5
89.02460	0.6
91.04000	0.5
93.03436	1.4
96.96021	1.0
108.02174	1.2
109.02967	0.8
113.02441	0.5
117.03481	6.8
119.01407	1.6
119.05039	24.0
119.55576	0.4
120.05347	0.8
121.02968	1.5
132.02136	0.5
133.02940	2.6
134.03714	0.4
135.04536	5.9
137.06265	0.4
139.50938	0.4
145.02969	25.9
146.03349	1.0
151.03967	0.5
152.03937	0.5
160.01686	0.7
161.02446	1.7
162.03275	0.4
163.04030	14.7
164.04207	0.4
171.10255	0.9
173.04617	0.8
179.03510	0.9
191.05620	5.8
199.13432	0.5
201.11366	1.1
237.07703	36.9
237.45068	0.5
238.08011	1.6
247.11334	0.9
248.08342	0.7
248.60991	0.4
249.09113	0.9
273.09283	1.3
287.07153	0.7
288.08124	2.1
289.08731	2.1
301.08624	1.2
308.08975	0.9
337.12265	0.5
339.10245	3.6
340.10861	0.5
350.09576	0.4
351.07156	0.7
352.07651	0.7
353.12036	2.4
354.12384	0.6
363.10324	0.8
364.10739	0.8
365.11835	1.3
365.26993	4.1
366.12619	1.1
367.09692	0.9
379.10132	0.6
381.11346	12.1
382.11877	4.0
384.13803	0.6
393.11438	0.9
395.12985	0.9
397.09241	1.5
409.10760	7.2
410.11615	35.8
411.11969	5.4
425.13992	100.0
426.14328	12.5
471.23868	1.3
590.34674	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	663.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95754	1.1
58.44645	1.1
59.01379	3.9
59.51983	1.1
59.53897	1.1
60.99302	2.2
61.63124	1.5
61.98837	2.1
67.01900	6.4
69.03470	2.6
69.19834	8.6
69.20239	2.5
71.01395	4.5
71.85629	1.2
75.17949	1.3
81.03465	1.4
85.02962	4.7
87.00879	8.3
93.03466	46.3
96.96004	1.4
97.59189	1.3
105.03471	3.1
108.02183	3.0
109.02990	4.1
111.04529	5.1
117.03483	4.7
119.05045	10.5
120.80463	1.1
121.02958	2.8
124.01668	7.1
124.02413	1.2
125.02412	3.2
126.03226	1.4
127.04023	1.9
132.02190	3.6
133.02974	22.0
134.03772	10.6
135.04539	100.0
136.04810	2.8
137.02454	4.1
145.02974	13.5
150.03264	4.3
151.04045	14.6
152.01241	1.5
155.03499	1.9
161.02457	4.4
163.04028	7.0
171.10330	3.2
173.04564	31.7
173.06071	2.0
177.01949	7.8
178.02730	3.6
179.03523	22.3
180.04039	2.1
191.05621	65.7
192.05943	2.2
200.51059	1.2
201.11363	3.7
215.05653	2.4
237.07620	6.3
247.11351	6.8
248.12131	1.5
251.10660	1.5
271.13583	1.2
290.07971	1.6
307.08316	5.6
308.09091	13.4
309.09378	1.4
311.22363	1.6
351.07263	11.8
352.07889	13.5
353.08539	2.0
397.09296	6.9
409.11075	2.6
409.23752	2.0
410.11722	1.5
425.14050	14.5
426.14243	2.2
427.24854	6.0
445.26065	3.9
453.22754	7.0
454.23187	1.3
471.23825	31.3
472.24384	3.9
480.20917	1.3
489.25165	3.0
645.21332	4.2
663.30475	50.5
664.31158	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	663.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66907	1.2
59.01393	4.0
60.99303	1.6
61.98824	3.1
64.86964	1.2
65.12389	1.4
67.01907	8.6
68.01105	1.4
71.01384	5.0
71.54583	2.0
78.36737	1.1
81.03470	2.7
85.02964	5.0
87.00883	6.0
93.03468	41.0
94.03802	2.1
96.96033	2.8
105.03486	2.3
108.02174	3.1
109.02969	3.4
110.47110	1.2
111.04523	4.4
117.03472	1.7
119.05054	6.2
121.02953	2.7
122.03787	2.2
124.01689	7.2
125.02447	3.9
132.02216	1.6
133.02980	21.9
134.03763	8.2
135.04541	100.0
136.04900	3.1
137.02464	5.2
137.09706	1.3
139.03993	1.5
145.02974	11.2
150.03215	4.0
151.04036	10.1
155.03522	1.9
155.95503	1.5
157.47777	1.4
160.01624	2.4
161.02499	3.3
163.03984	7.4
167.03508	1.6
171.10307	1.8
173.04559	21.0
177.01971	7.6
178.02725	3.8
179.03516	21.8
191.05627	52.6
192.06087	2.4
201.11354	3.0
215.05585	4.1
237.07689	2.3
247.11307	6.2
264.35712	1.5
271.13422	1.8
290.08249	1.5
307.08179	5.8
308.09027	13.2
311.22278	1.6
351.07227	12.1
352.08026	10.9
397.09238	9.6
407.13028	1.9
425.14014	9.3
427.24777	4.5
445.25763	4.3
453.22635	4.0
471.23846	27.9
472.24179	3.8
489.24887	2.7
511.91788	1.7
572.10370	1.6
645.21130	2.4
663.30237	38.7
664.30621	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	664.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68779	0.6
58.00581	1.4
59.01384	15.4
61.98825	2.9
67.01871	0.6
71.01393	9.5
71.54459	1.2
72.99302	0.9
73.02943	2.3
74.02451	0.7
79.95732	1.3
83.01349	1.3
84.04532	1.5
84.09242	0.6
85.02959	5.5
87.00881	2.4
88.98805	1.2
89.02452	4.6
93.03468	5.5
96.96019	12.4
98.95564	1.5
101.02460	6.1
102.05621	9.3
106.06618	1.6
109.02933	1.1
111.04487	1.1
113.02446	2.7
119.05025	0.9
120.01186	0.6
121.10143	0.8
127.03992	0.8
128.03549	29.2
133.02946	0.8
134.03697	0.9
134.06177	1.0
135.04498	2.0
137.02440	1.3
139.11296	0.7
146.04567	2.4
150.05621	2.3
152.01233	0.9
153.01984	0.8
161.02438	3.2
161.04626	0.8
163.04045	1.4
167.03497	2.6
169.12309	0.9
173.04573	8.4
176.03564	6.0
179.03510	2.5
185.11781	0.9
190.84872	0.7
191.05623	16.6
209.07954	0.9
215.12790	0.9
267.11197	1.3
268.11832	0.8
269.12842	0.9
271.10739	0.8
271.19131	1.2
285.04059	1.1
299.10172	0.8
335.07553	1.0
337.24097	1.0
343.24820	0.8
355.24921	4.6
373.25925	6.7
440.29913	1.1
458.31061	2.3
470.19366	1.1
506.15308	0.9
517.29834	1.6
524.16730	1.2
535.31274	20.3
536.31689	2.9
620.35510	2.1
629.22510	2.0
646.34528	3.0
647.23645	2.5
664.35504	100.0
665.25684	1.2
665.35681	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	664.356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82314	0.9
55.01876	1.1
58.35149	0.9
59.01385	15.9
61.98817	2.5
69.16963	8.9
71.01385	11.1
73.02944	2.7
74.02473	1.3
79.95741	1.3
81.83092	1.0
82.02993	1.0
83.01382	1.6
84.04585	1.1
85.02962	5.0
87.00881	2.5
87.75520	0.8
89.02460	4.2
93.03465	6.1
95.01438	1.0
96.96024	15.4
98.19758	1.4
98.95670	1.0
101.02461	5.8
102.05621	8.6
106.06599	1.0
108.04550	1.2
111.04523	1.8
113.02428	3.9
119.03498	1.8
119.05035	1.3
122.06149	1.9
123.04477	1.1
127.04063	0.8
128.03555	31.4
133.03018	1.4
134.03688	1.0
135.04526	2.6
135.49573	0.9
137.02423	2.3
146.04611	2.4
148.04056	1.3
150.05603	2.1
152.01205	1.6
153.01984	1.5
161.02444	3.9
163.04124	1.0
166.23969	0.8
167.03526	2.3
171.10281	0.9
173.04604	7.6
176.03506	8.0
177.02005	1.0
179.03528	2.5
183.79794	0.8
185.11913	1.0
191.04021	1.2
191.05647	18.7
191.07283	0.7
192.05972	1.5
199.13486	1.0
215.12950	2.1
252.55482	1.1
267.11389	3.0
269.12943	1.7
271.10770	1.1
271.19284	1.4
313.12521	1.2
333.11026	0.9
335.07602	1.2
355.24924	5.3
373.25946	7.3
374.26044	1.4
388.30701	0.9
440.30450	0.9
458.31415	2.0
517.30145	2.4
535.31305	19.7
536.31647	2.9
551.90125	0.8
589.76178	0.9
615.20441	0.8
620.35925	3.1
629.22485	3.6
646.34241	3.1
647.23889	2.4
664.35541	100.0
665.19171	1.8
665.25128	1.4
665.35687	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	665.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01384	4.3
60.99310	0.7
64.48282	0.3
67.01899	1.8
69.03478	0.4
69.38393	2.5
71.01384	3.1
73.02948	1.0
79.95757	0.3
81.03471	0.7
83.05047	0.5
85.02956	7.2
87.00894	3.2
89.02454	0.8
93.03468	11.9
96.95999	3.3
98.95576	0.3
99.04546	0.4
101.02467	1.2
109.02956	0.9
111.04516	2.4
113.02467	1.0
119.28311	0.3
123.04568	0.4
125.02454	0.5
127.04008	0.9
129.63988	0.3
133.02982	2.1
134.03725	0.6
135.04536	12.8
136.04921	0.3
143.03510	0.4
153.01938	0.6
155.03535	0.5
161.02448	5.9
161.04567	0.5
165.01892	0.6
167.03493	0.7
171.03004	0.5
173.04582	3.9
175.22594	0.4
179.03510	12.1
180.03836	0.4
191.05623	100.0
192.05954	3.3
297.06158	0.5
353.08826	6.4
354.09161	0.9
367.10367	0.9
457.21030	0.6
463.79321	0.4
473.11035	2.5
475.22134	0.8
490.09348	0.3
491.11795	1.3
665.17175	25.6
666.17365	3.6
672.32324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.1
60.99314	0.7
67.01899	1.6
69.03460	0.6
69.38367	1.8
71.01392	2.8
73.02959	0.8
77.30128	0.3
81.03487	0.4
82.02546	0.2
83.05024	0.5
85.02962	7.4
85.03471	0.5
87.00876	3.6
88.98795	0.3
89.02469	0.7
93.03467	12.0
96.96021	3.4
99.04487	0.3
101.02477	1.3
109.02971	1.2
111.00941	0.3
111.04525	2.1
113.02431	1.3
114.68723	0.3
119.03549	0.3
123.04626	0.3
125.02470	0.4
127.04028	1.8
133.02951	1.8
134.03683	0.3
135.04543	13.4
136.04889	0.5
137.02443	0.6
143.03529	0.3
153.01935	0.6
155.03514	0.5
161.02466	6.2
161.04524	0.5
167.03493	0.8
171.03029	0.5
173.04588	4.7
179.03513	12.3
180.03912	0.8
191.05627	100.0
192.05975	2.7
195.06583	0.6
238.73906	0.2
247.02412	0.3
297.06396	0.7
311.07840	0.3
353.08804	6.2
354.09042	0.3
367.10364	1.3
447.54184	0.3
473.11017	1.9
475.21780	0.9
491.12064	0.7
535.23657	0.4
645.02563	0.3
665.17163	22.7
666.17535	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	665.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98738	2.2
55.01876	2.4
59.01386	100.0
69.28005	18.7
71.01386	41.1
73.02946	19.5
83.01390	5.6
85.02958	14.2
87.00859	3.6
89.02458	19.4
95.01378	3.7
96.96003	7.3
101.02445	23.1
113.02465	32.4
119.03520	5.0
125.02466	2.9
134.03775	3.0
143.03560	5.0
161.04582	12.9
173.04494	2.6
177.79974	2.2
178.02742	2.2
179.05618	5.5
191.05640	8.2
193.05064	7.3
198.31979	2.0
214.16591	2.1
219.15405	2.2
222.06876	3.6
237.09045	2.1
269.40466	2.0
302.33755	2.2
457.21085	14.3
475.21902	30.6
476.21469	3.7
493.22772	6.1
517.22986	8.4
535.23822	8.1
578.62823	2.5
670.38916	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	665.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55464	0.4
58.00593	1.2
59.01384	32.1
61.98834	0.7
70.24658	2.0
71.01387	19.4
72.99303	1.7
78.16257	0.4
79.95751	0.9
83.01397	1.2
85.02966	3.3
87.00871	0.7
89.02451	20.9
95.01395	1.5
96.96016	22.2
98.20007	0.8
101.02448	15.4
101.03105	0.8
113.02471	8.0
119.03513	10.2
119.04916	0.6
127.34112	0.5
131.03491	0.9
139.71475	0.5
143.03523	1.1
148.91762	0.5
149.04556	0.8
161.04541	0.7
161.08211	1.1
167.03503	0.6
173.04593	1.1
179.05621	1.4
191.05583	1.2
270.37631	0.6
323.13477	100.0
324.13791	5.4
665.28857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.9
59.01376	2.4
60.99303	0.8
61.98836	0.6
63.77436	0.4
66.62807	0.4
67.01898	4.4
69.03456	1.3
71.01395	4.3
71.54806	0.5
73.02948	0.5
81.03451	1.2
83.05035	1.2
85.02962	1.4
87.00890	0.7
93.03468	29.8
94.03784	0.7
96.96030	2.1
99.08178	1.4
101.13428	0.4
109.02980	0.9
111.00891	1.6
111.04530	6.3
113.02472	0.8
127.03991	0.6
127.11237	0.5
133.03003	0.7
134.03821	0.4
135.04544	0.8
137.02463	7.1
155.03514	5.5
161.02483	1.4
171.10286	0.9
173.04567	100.0
174.04935	2.8
183.13921	1.0
187.13612	0.5
191.05618	4.9
192.05975	0.6
193.12311	0.8
209.11777	0.9
211.13396	8.8
212.13802	0.8
229.14461	5.3
256.59195	0.4
275.06067	0.4
305.51843	0.5
329.23355	21.4
330.23776	1.8
335.07745	0.4
397.63174	0.5
429.25293	0.7
442.76831	0.4
454.62097	0.4
470.49136	0.4
503.28665	70.1
504.28961	9.5
504.35757	0.7
553.80798	0.5
586.17273	0.4
609.29926	0.4
665.31927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01384	16.6
60.99326	1.2
65.03975	0.7
67.01894	8.1
69.03463	1.7
71.01389	15.7
71.54507	0.7
72.99300	1.2
73.02966	0.9
76.90009	0.6
79.95768	0.8
80.62267	0.6
81.03455	1.9
83.01382	1.0
83.05050	1.7
85.02953	4.5
87.00888	1.8
88.98808	1.3
89.02457	6.9
89.60075	0.8
92.73241	0.5
93.03469	54.0
94.03786	1.3
94.57294	0.7
95.01434	0.8
96.96024	15.5
98.95599	1.1
99.00883	1.2
99.04542	1.0
99.08199	0.9
101.02458	6.7
109.02983	2.3
111.00903	1.7
111.04538	9.2
113.02454	4.1
114.28091	0.6
119.03511	2.1
123.00804	0.7
125.02384	0.7
127.03992	1.1
128.03572	1.0
134.03766	0.7
135.04527	1.1
137.02458	10.5
145.02966	0.7
151.00334	1.2
155.03497	9.9
161.02489	1.8
163.11266	0.7
167.03511	0.9
171.10280	2.8
173.04562	100.0
174.04886	3.0
179.03529	1.3
191.05611	10.0
192.05942	0.8
201.11349	5.5
209.11832	2.3
211.13400	3.9
229.14484	2.8
249.22083	0.6
253.09195	1.2
256.09784	0.6
285.03915	0.7
291.19464	0.6
293.21255	9.5
294.21710	1.1
311.22299	3.2
329.23367	8.2
373.71860	0.8
417.21338	1.8
428.50012	0.7
473.28000	0.8
491.28647	63.4
492.29257	7.4
621.32648	1.8
665.33942	88.5
666.34363	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	665.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
58.00580	1.4
59.01387	34.5
60.99303	1.1
61.41517	1.0
63.50461	1.0
67.01907	1.8
69.03459	1.3
69.80804	2.0
69.81199	4.2
71.01016	1.6
71.01389	23.8
72.99309	2.3
73.02946	2.6
74.86143	1.1
74.96880	1.1
79.95745	1.1
81.03462	2.8
83.01376	2.1
83.05028	3.0
85.02956	7.7
87.00873	3.1
88.98795	4.2
89.02452	14.2
93.03476	17.4
95.01389	1.7
95.95232	2.3
96.96024	21.4
98.20583	1.1
98.95631	2.1
99.08179	2.2
101.02457	14.4
102.05630	2.2
106.06631	2.3
108.04577	1.2
109.02962	1.9
111.04533	10.5
113.02473	5.8
119.03500	4.7
122.06156	2.4
124.08850	1.0
125.90279	1.3
127.04012	2.0
128.03560	2.6
129.01944	1.2
133.02934	1.2
134.06107	1.1
135.04515	3.6
137.02451	3.6
148.04004	2.5
150.05603	4.1
155.03508	9.2
155.10748	1.2
160.04041	1.3
161.02466	3.3
163.11313	1.8
167.14600	1.2
169.84926	1.1
171.10309	2.7
173.03156	1.8
173.04575	29.7
175.04007	1.2
176.03517	16.0
177.02000	1.3
179.03458	1.9
191.05643	18.2
201.11316	8.8
207.06635	1.1
209.11880	5.4
211.13388	9.6
212.13705	1.2
223.16463	1.2
229.14478	6.4
231.11432	2.3
252.08994	1.9
253.09483	2.3
267.11371	4.1
269.12836	1.6
293.21262	17.7
294.21652	2.6
311.09961	1.2
311.22324	8.2
329.23349	18.0
330.23837	1.9
470.19403	2.6
473.27829	1.5
491.28625	98.7
492.28851	10.7
524.16809	1.9
585.23682	1.3
629.22363	4.3
647.23608	5.0
665.16779	2.5
665.24341	3.7
665.34064	100.0
666.23981	1.2
666.34448	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	665.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60480	1.2
61.98817	2.3
80.10507	1.2
87.66263	1.2
116.98461	1.5
122.97577	2.1
160.04082	1.9
160.28722	1.3
188.03537	2.5
211.08876	1.3
212.07295	1.7
218.04547	4.1
226.03908	6.7
239.04607	3.4
239.08226	3.3
241.06248	3.3
251.08217	1.8
252.06639	2.1
253.06244	4.1
254.06934	3.1
255.07692	6.1
267.04254	7.5
267.07715	6.3
267.11353	4.3
269.09360	2.0
280.04883	1.9
281.05618	5.2
281.09366	2.0
282.06390	6.3
282.09888	2.7
283.07184	4.7
283.10791	2.5
293.09204	2.3
294.06577	1.7
295.07242	17.3
296.07867	2.9
299.06870	1.5
309.08859	5.2
310.09576	2.8
311.10425	14.9
315.09833	4.6
337.08310	5.7
376.43869	1.5
391.10092	1.6
401.96564	1.3
472.16483	1.4
633.39203	4.0
642.82874	1.5
665.41766	100.0
666.42206	21.0
684.58325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79998	0.3
59.01384	6.7
70.97198	0.3
71.01391	5.8
71.53925	0.4
71.54353	0.4
72.99292	0.4
85.02946	1.0
89.02447	6.0
93.03485	0.9
96.96028	2.6
101.02445	2.8
109.36503	0.4
113.02419	2.0
114.45377	0.4
117.03470	0.7
119.03577	2.7
119.05037	97.5
120.05363	4.0
128.03542	0.5
131.03542	0.4
143.03505	0.4
145.02953	0.5
161.04549	0.9
163.04021	100.0
164.04376	4.2
169.70195	0.4
179.05679	3.4
185.02196	0.9
191.05623	1.5
191.31403	0.5
237.07700	0.6
325.09286	18.4
326.09613	1.3
341.10898	18.0
342.11261	0.9
434.12158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66479	0.4
55.77458	0.3
59.01385	3.3
61.98812	0.3
65.26148	0.3
65.80717	0.2
71.01394	2.5
73.02969	0.8
78.95930	0.3
79.40405	0.3
85.02972	0.7
87.00890	0.6
89.02444	1.6
95.01391	0.3
96.00452	0.2
97.30235	0.3
98.20694	0.5
101.02446	1.7
113.02454	1.0
119.03463	0.5
125.09751	1.1
127.11295	1.9
129.11728	0.3
136.90666	0.3
153.09195	0.6
161.04587	0.8
171.10286	94.8
172.10617	3.5
179.05681	0.3
215.39670	0.3
233.22873	0.4
235.08241	3.0
236.08615	0.3
245.36696	0.3
253.09315	5.9
254.09784	0.4
275.20102	0.4
277.21741	100.0
278.22070	8.2
407.19110	0.6
439.58752	0.3
513.30139	0.4
515.03918	0.3
566.26270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.1
60.22564	0.2
61.98806	0.2
68.34654	0.2
71.01384	1.5
71.53695	0.2
73.02959	0.3
83.05057	0.2
85.02949	0.2
87.00895	0.4
87.70370	0.1
89.02457	1.2
95.01410	0.2
98.19851	0.1
101.02448	1.3
113.02482	0.9
119.03545	0.2
123.08174	0.2
125.09762	0.9
127.11320	2.1
143.03497	0.3
153.09273	0.5
161.04562	0.4
171.10284	100.0
172.10629	4.1
179.05595	0.2
197.38318	0.2
235.08264	1.3
253.09299	4.9
254.09679	0.2
259.20541	0.2
275.19846	0.1
277.21738	47.7
278.22079	4.5
310.41638	0.2
313.82605	0.2
330.35919	0.1
352.24603	0.2
391.77277	0.2
407.19351	1.0
621.70605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01384	9.1
61.98838	38.0
62.09713	1.1
62.36599	1.0
68.29573	1.1
69.26279	4.6
69.26702	5.1
71.01399	6.4
71.01727	1.1
81.03473	1.8
83.01402	2.3
85.02958	4.4
87.00903	2.1
89.02451	2.7
93.03469	18.0
95.01406	1.5
96.96020	9.5
101.02452	3.8
107.01406	2.2
108.02180	2.6
109.02932	1.3
111.00941	1.3
111.04506	1.7
113.02436	2.5
119.05035	4.4
121.02934	3.2
123.00887	3.3
123.04527	2.5
124.01652	2.5
125.02479	5.5
131.21506	1.1
133.02951	2.4
134.03749	3.2
135.00940	1.3
135.04504	4.9
136.01643	1.8
137.02472	11.3
139.04013	2.5
145.02998	2.0
149.02438	1.6
150.03201	3.3
151.00354	2.2
151.03986	1.7
152.01125	2.3
155.03537	1.2
161.02504	5.3
161.04521	1.8
163.00377	2.7
163.04012	2.2
164.01152	2.7
165.01927	2.6
167.03497	3.6
173.04568	17.5
177.01927	2.1
178.02695	3.8
179.03499	5.1
191.03757	2.1
191.05620	30.6
192.05898	1.8
193.01453	2.7
193.05110	1.5
219.03072	1.9
240.08130	1.2
254.59637	1.1
255.02721	1.3
255.10461	1.4
257.08221	2.0
283.06647	1.6
284.03308	6.0
285.04053	1.5
285.07135	1.6
299.05606	12.1
299.09189	3.6
327.08759	70.5
328.09103	5.6
335.07538	2.4
357.09735	4.5
358.01535	1.2
369.09906	3.1
410.39813	1.1
447.12997	100.0
448.13388	9.6
459.87506	1.3
461.23834	1.7
463.11844	1.2
479.24979	4.3
489.13998	2.1
507.18427	1.9
589.86688	1.2
607.16699	2.8
625.15747	3.3
669.21643	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	669.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
58.00601	0.7
59.01385	31.7
60.01716	0.4
61.98846	0.4
70.16698	1.5
71.01387	20.6
72.99306	1.3
73.02966	0.6
75.00836	0.3
79.07334	0.4
83.01424	0.8
85.02966	3.5
87.00886	0.9
89.02454	22.3
90.02811	0.4
95.01402	1.5
96.96030	1.8
96.96890	0.4
101.02448	14.8
113.02464	9.3
113.03261	0.5
115.04028	0.4
119.03512	10.4
119.05031	1.1
123.04549	0.4
131.03510	0.6
135.04570	0.4
136.99187	0.5
143.03549	0.8
143.07123	0.6
149.04596	0.6
161.04555	1.0
161.08229	2.3
163.04030	1.3
173.04546	0.6
177.30414	0.4
179.05663	1.3
191.05655	1.4
323.13486	100.0
324.13818	5.7
336.74850	0.4
345.11401	1.8
379.68127	0.4
404.45630	0.4
669.25946	10.9
670.26428	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	669.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01023	1.5
57.21334	1.3
61.98848	9.3
71.54264	2.8
76.21799	1.6
78.95915	57.5
94.93642	3.1
110.98497	1.7
130.13359	1.6
131.13321	1.5
149.00124	33.6
152.99521	3.4
163.61664	1.7
163.98849	1.6
170.85904	1.6
194.98906	50.7
205.15976	19.5
216.19655	1.9
218.48146	1.9
239.20061	3.0
241.21718	4.1
255.23286	4.5
277.21725	8.9
279.23267	9.8
285.12564	3.4
314.85657	1.7
355.16739	4.8
401.15591	100.0
402.16080	9.4
409.23694	2.0
411.96957	1.6
463.11179	1.9
492.27997	1.9
669.27911	84.3
670.28015	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	669.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75339	0.8
54.53405	0.9
57.03445	2.8
59.01385	23.7
60.96421	0.9
61.98813	2.0
67.01880	1.0
68.99854	1.0
69.03455	3.0
69.75194	4.9
71.01395	18.5
71.05009	1.2
72.99312	2.1
73.02935	3.8
73.69466	0.9
80.02678	1.9
81.03476	6.4
81.21696	0.9
83.01409	3.2
83.05019	8.7
84.02193	1.3
85.02958	4.8
87.00883	3.6
89.02460	6.7
93.03485	2.6
95.01379	2.6
95.05023	4.0
96.96030	7.4
97.02967	12.6
97.06593	6.6
99.00887	3.4
101.02459	13.2
106.95669	0.9
107.05011	3.8
108.02166	1.5
109.02960	2.0
109.06602	40.5
110.03785	2.0
111.04527	2.8
111.08197	1.7
113.02448	6.4
119.03518	1.3
119.04996	1.5
121.02959	1.4
121.06592	3.8
123.04490	2.3
123.08189	4.1
125.02418	1.5
125.09735	27.5
133.06567	1.2
135.04533	1.7
135.08174	7.0
136.01610	1.5
136.05298	1.9
142.02710	4.0
145.05075	1.5
149.06079	1.7
149.09793	1.2
161.04562	3.1
161.06003	1.3
161.09726	4.6
163.11301	24.2
164.11621	1.2
165.09204	2.2
165.12866	1.1
169.08684	1.2
170.06995	1.0
171.10249	3.5
175.07672	1.2
175.11304	4.8
179.10786	3.2
181.12386	6.0
185.11809	4.1
187.09750	10.3
189.09184	2.7
191.05598	2.4
191.10825	3.1
193.12402	1.3
197.11815	1.4
201.09161	1.5
201.11125	1.1
201.12840	1.8
203.10738	1.8
205.12354	1.3
207.10274	86.1
208.10562	5.4
209.11842	36.5
209.13820	2.1
210.12108	2.2
217.12354	2.1
219.10393	5.1
219.13811	2.7
221.11769	1.3
223.09851	7.1
223.13373	3.6
223.15463	1.0
225.11324	48.0
226.11612	2.5
227.12730	1.6
229.12233	1.4
235.08223	5.1
235.13426	2.6
237.11299	5.1
237.14871	1.0
245.11858	2.6
247.09792	1.5
253.09299	8.4
261.11282	2.5
263.12906	9.0
265.10614	1.5
273.11493	1.2
281.14044	1.2
283.20624	1.3
299.15036	1.4
301.21832	1.2
317.21170	1.1
325.18066	1.4
325.21707	1.5
327.19583	4.1
343.19119	1.8
345.20734	2.8
353.17484	3.0
353.21310	3.1
361.20172	2.5
363.21637	1.6
369.20746	2.8
371.18353	5.7
371.22333	2.6
379.21112	1.5
387.21838	5.1
388.56210	1.0
389.19360	8.2
389.23856	1.3
390.20053	1.1
397.20169	7.9
398.20444	1.2
405.17487	2.8
405.22784	3.6
406.28806	1.0
415.21274	25.8
416.21631	3.4
433.22540	8.6
443.19418	3.2
461.20358	12.0
462.20572	1.4
507.26114	2.2
597.28998	6.5
607.27667	23.3
608.27673	2.5
621.28674	1.3
623.30493	5.0
625.28680	45.2
626.29279	5.8
633.29156	14.3
634.29590	2.8
651.30255	100.0
652.30536	15.9
669.31323	52.6
670.31653	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	669.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
57.03454	3.2
57.75729	1.7
59.01384	22.1
61.98819	4.0
63.26743	1.7
69.03458	4.6
71.01394	20.2
71.05035	1.5
71.54232	2.3
72.99337	2.1
73.02952	4.3
81.03435	4.6
83.01395	2.6
83.05042	7.7
85.02953	6.5
87.00883	6.0
89.02444	7.7
93.03458	3.8
95.01413	3.1
95.05028	5.7
96.96001	7.5
97.02972	10.8
97.06585	4.4
98.95553	2.3
99.00893	8.2
101.02448	14.9
107.05050	2.0
109.02911	2.2
109.06607	25.7
110.03729	2.8
111.04530	5.4
113.02469	8.5
118.98193	1.5
119.03539	2.9
119.05076	1.9
121.06618	2.9
123.04533	2.0
123.08154	4.8
124.93269	1.8
125.02446	3.3
125.06042	1.7
125.09755	16.6
129.01970	2.0
135.04572	2.2
135.08182	5.3
135.65437	1.5
136.05313	2.2
142.02669	2.8
145.05063	1.8
151.11240	2.2
153.13016	1.9
161.04552	3.2
161.09695	4.5
163.11328	19.0
164.43584	1.6
171.10274	7.6
173.04625	2.4
175.11333	2.3
177.12846	3.3
179.10744	5.1
180.97412	1.7
181.12315	12.3
185.11880	14.0
187.09773	3.1
191.05647	7.0
191.10785	2.0
197.11870	14.2
197.36731	1.8
205.08678	2.8
207.10272	85.7
208.10558	4.3
209.11841	36.6
219.10466	1.9
219.13899	3.9
221.11801	3.2
223.09776	11.4
223.13422	4.8
225.11339	72.9
226.11641	3.2
227.12871	3.8
235.08237	7.4
235.13365	2.4
237.11357	2.8
237.14970	3.0
243.12465	5.8
247.09885	3.2
251.12718	2.0
253.09358	8.4
263.12808	3.3
265.10641	2.2
327.19675	2.0
327.23309	3.8
345.24496	4.2
353.21097	4.7
371.22375	13.8
372.22577	3.0
389.18991	2.2
389.23456	33.8
390.23944	3.6
390.63171	2.0
397.20337	3.0
407.24304	10.5
415.20944	8.0
428.58597	2.2
433.22348	5.5
443.19379	4.1
461.20413	15.1
462.20923	2.1
507.26215	1.8
607.31665	11.5
608.31873	3.6
615.30011	3.2
625.30389	19.8
626.30066	2.5
633.28955	4.2
651.30237	49.0
652.30359	11.0
669.31403	100.0
670.31720	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	669.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01384	5.9
61.98845	1.0
69.03479	1.8
71.01397	4.6
71.54333	0.9
73.02982	1.2
80.02711	1.1
81.03485	1.9
81.52747	0.6
81.79203	0.5
83.05035	4.9
84.02196	0.9
85.02971	1.3
87.00906	1.0
89.02432	2.7
93.03483	1.3
95.01407	0.7
95.05032	0.8
96.96026	3.6
97.02993	0.7
101.02483	4.1
105.69225	0.6
109.06640	1.1
109.47018	0.6
113.02496	2.0
119.03535	0.8
119.04989	0.6
125.09728	1.3
135.04561	0.9
135.08217	0.7
161.04619	1.5
163.11337	3.8
165.12897	1.8
167.10815	2.5
171.10327	4.8
174.16936	0.5
175.56412	0.6
179.10851	1.4
179.14449	2.9
191.05637	1.7
191.10835	0.7
195.13901	8.1
197.11784	0.7
201.11266	0.6
205.12320	9.0
207.10309	2.1
209.11842	100.0
210.12195	5.1
223.13406	84.9
224.13736	4.9
225.11382	2.5
227.12923	16.1
228.13222	0.6
235.08252	3.4
237.11429	0.6
253.09300	12.6
261.14951	1.5
271.69287	0.6
389.23199	0.6
445.20703	0.6
459.22470	7.2
651.30640	2.2
669.31934	3.2
670.32062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03592	12.8
57.44950	13.4
57.98013	12.4
59.01373	40.3
61.98844	82.8
71.01382	25.0
71.08059	31.8
74.37173	12.5
78.95910	13.0
79.30932	12.3
85.02985	16.2
86.51790	12.1
96.95992	15.4
109.06612	17.4
121.02896	14.2
150.06886	34.7
163.11328	23.0
171.10249	17.4
205.08696	16.5
207.10199	37.7
209.11823	60.0
223.09848	22.3
225.11333	33.3
239.08226	14.0
262.64841	11.6
295.07059	15.5
327.19769	12.8
342.22070	100.0
369.10956	22.9
399.53680	13.1
401.13614	19.9
460.13864	11.8
460.20288	12.4
461.21011	13.1
558.14978	12.4
651.29962	56.3
669.31641	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	670.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98554	0.4
73.01155	0.3
90.33652	0.2
91.63352	0.3
93.03474	0.7
96.95985	0.7
120.43253	0.3
128.30086	0.3
135.04509	0.3
152.01183	0.4
173.04640	0.5
179.03534	0.3
187.03946	0.3
191.05704	1.3
207.59633	0.3
256.03931	0.3
258.11758	0.3
263.51938	0.3
273.25607	0.3
284.00000	0.3
284.00522	0.2
284.03287	14.8
285.03650	1.0
299.05634	27.2
300.05972	1.9
323.84106	0.3
437.22690	0.3
498.72198	0.3
521.81250	0.3
607.16760	7.0
608.17310	0.5
643.82867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44046	0.5
55.01867	0.4
58.34745	0.4
59.01387	1.6
64.45752	0.4
69.74914	2.4
71.01388	8.5
71.03664	0.4
73.02959	2.8
73.20934	0.4
77.70190	0.4
83.01429	0.5
83.05032	0.7
85.02966	4.0
89.02457	1.4
93.03452	0.6
95.01406	0.8
98.19910	0.5
99.00887	1.0
99.04544	0.8
101.02451	6.2
108.02185	1.6
109.02974	2.5
113.02470	4.1
121.02967	3.0
121.06588	0.7
122.03751	100.0
123.04604	12.9
125.02475	0.4
127.03985	0.6
132.02248	0.4
135.04538	1.4
137.02449	1.4
137.06110	1.6
143.03543	1.1
147.04520	1.9
148.05252	0.5
149.06187	0.8
150.03238	0.7
159.03027	1.7
161.04581	14.3
165.05580	5.7
167.03458	0.8
177.05573	2.7
285.09821	5.6
311.94409	0.4
329.08798	61.0
330.09113	3.7
341.11215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.268
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
50.72884	5.6
54.08329	6.4
61.98833	9.0
70.91768	6.7
71.53236	7.3
78.95927	6.5
145.40904	6.8
190.26134	6.8
193.60213	7.4
279.23389	7.8
478.71710	6.8
571.34100	8.5
671.26544	100.0
672.27478	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	671.3292
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
51.87197	0.4
54.45677	0.4
55.01885	0.7
58.00597	0.6
59.01382	11.6
69.03436	0.6
69.23630	4.2
71.01386	5.8
73.02966	1.9
80.02693	1.8
81.03461	3.8
83.01392	1.2
83.05037	7.7
84.02194	1.5
85.02964	2.1
85.03426	0.4
87.00906	1.5
89.02464	3.6
93.03490	1.8
95.01441	0.6
95.05055	1.4
97.02962	5.3
97.06625	1.1
99.00904	0.8
101.02457	4.5
102.05614	1.0
106.04269	0.5
107.05047	0.7
109.06603	21.6
110.03754	1.6
111.04558	0.8
113.02486	2.2
119.03515	1.3
121.06596	1.3
123.08150	0.7
125.06087	1.0
125.09733	2.5
128.03551	1.4
135.04459	0.5
135.08185	3.0
136.05383	0.7
136.74297	0.4
137.09679	0.6
142.02740	1.2
145.10225	0.8
151.07605	0.5
161.04553	1.7
161.09721	1.4
163.11311	17.0
164.11690	1.0
165.12857	2.9
167.52197	0.4
171.10249	3.2
173.04559	0.8
181.12364	3.5
184.36832	0.4
185.11893	1.8
187.09827	0.8
189.09215	2.2
191.05652	1.3
191.10841	1.1
207.10283	57.9
208.10611	3.2
209.11850	100.0
210.12169	5.6
213.09142	0.5
217.12317	0.8
220.77911	0.5
221.11865	0.9
223.13416	0.8
225.11349	24.3
226.11668	1.5
227.12917	12.0
228.13234	1.0
231.10284	1.3
235.08228	3.2
235.13377	0.9
243.12234	0.8
245.11761	0.6
247.13472	1.0
249.11360	1.4
251.13094	0.5
253.06699	0.7
253.09320	11.0
263.12979	1.2
264.13208	0.5
265.14352	0.7
266.21613	0.4
299.14951	0.7
355.23038	0.7
373.24118	0.8
381.20654	0.6
399.21805	5.0
400.21820	0.5
405.17657	0.7
417.22858	5.8
418.23047	0.8
435.24203	0.7
443.19305	2.9
461.20313	9.7
462.20755	0.9
485.20224	0.6
491.26761	0.7
609.29565	0.8
627.30432	1.4
628.33142	3.4
635.30713	9.9
636.30945	2.0
653.31854	11.9
654.32220	2.5
671.32886	22.5
672.33521	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	671.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96199	0.5
55.01905	0.8
57.03442	1.0
58.00584	0.5
59.01106	0.9
59.01385	10.5
61.98841	0.8
68.99780	0.5
69.03480	0.9
71.01382	6.8
71.01729	1.0
71.05025	0.6
73.02956	1.6
73.25389	0.5
76.93734	0.6
80.02682	1.6
81.03463	2.7
81.61474	0.6
83.01391	1.4
83.05038	7.5
84.02178	1.2
85.02953	3.3
87.00888	1.8
89.02473	3.6
93.03477	2.6
95.01419	0.9
95.05022	1.0
96.96027	1.0
97.02965	5.9
97.06583	1.0
99.00891	3.3
99.50830	0.5
101.02452	6.3
109.06603	15.9
110.03723	1.4
111.04576	1.3
113.02448	3.4
119.03507	1.0
121.06606	1.0
123.08165	1.3
125.02425	0.8
125.06119	0.7
125.09726	2.7
128.03551	0.9
133.05096	0.5
135.04492	1.0
135.08212	3.3
136.05280	1.5
142.02715	1.5
143.03494	0.9
145.05153	0.8
145.10188	0.8
147.11804	0.5
155.33351	0.5
161.04573	1.6
161.09729	1.2
163.11311	15.0
165.12866	2.2
171.10246	3.6
173.04552	1.6
179.03584	0.6
179.05609	0.9
181.12373	7.0
182.12656	0.6
185.11818	1.8
189.09201	1.1
191.05659	5.8
191.10773	1.5
197.11905	0.8
199.13321	0.6
201.11337	1.0
207.10280	54.4
208.10609	3.5
208.44423	0.6
209.11842	100.0
210.12187	6.3
211.13319	0.6
217.12296	0.8
220.04576	0.5
221.11897	0.6
223.13364	0.8
223.74176	0.6
225.11339	46.4
226.11697	2.5
227.12891	14.6
231.10301	0.7
235.08289	3.2
235.13412	0.8
243.12411	2.7
247.13420	1.4
249.11334	0.8
253.09300	9.2
254.09509	0.6
263.12875	1.1
265.14557	0.7
283.45364	0.5
297.04340	0.5
355.22961	0.8
373.23987	1.2
389.23315	1.1
391.24896	1.2
399.21960	3.5
405.17569	0.7
407.24429	0.9
417.22784	4.8
435.23764	1.2
443.19223	3.7
445.21057	0.8
461.14334	1.1
461.20374	12.6
462.20413	1.3
491.26270	0.9
507.12833	1.0
609.32208	1.1
611.34387	0.7
627.31525	2.4
629.35120	0.9
635.30786	7.8
636.31482	1.2
653.31842	15.0
654.32190	2.5
671.32855	23.6
672.33118	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	673.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29753	3.3
56.64590	3.4
59.01397	15.8
60.35361	2.9
61.98831	29.0
70.03162	15.2
71.01394	12.1
71.89654	3.1
83.05045	7.6
85.02930	5.8
89.02428	4.2
93.03464	9.4
96.96022	8.6
97.92310	3.0
98.19886	3.7
101.02467	4.6
109.06606	5.1
109.90968	3.1
111.04361	3.2
121.02969	5.5
163.11272	6.0
171.10284	69.5
173.04599	8.0
191.05629	26.8
199.13423	5.5
201.10930	3.0
205.12416	4.8
207.10252	10.8
208.10605	4.7
209.11867	100.0
210.12158	7.5
211.13368	10.1
215.07079	4.5
223.13432	37.7
225.11333	8.8
227.12891	23.8
253.09322	11.3
266.32437	3.5
271.37848	3.3
558.71490	4.2
654.32336	3.8
672.33575	6.5
679.34796	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	673.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93642	0.1
59.01379	0.5
61.98830	1.2
65.55664	0.2
71.01392	0.5
71.53797	0.3
77.00454	0.2
78.95914	2.0
79.95748	4.0
80.61798	0.2
85.02966	0.4
91.92134	0.2
93.03476	0.9
96.96024	100.0
96.97013	2.5
97.95969	0.4
106.29568	0.2
108.02162	0.4
109.03008	0.2
128.03551	0.2
133.02966	0.2
134.03764	0.3
135.04559	0.4
137.02472	0.4
143.04509	0.2
145.02931	0.2
152.01169	0.6
161.02412	0.5
166.99831	0.2
167.03484	1.0
173.04637	0.9
179.03531	0.2
191.05659	2.1
199.10004	0.2
209.11902	0.3
215.07129	0.2
226.06311	0.2
241.08766	0.2
481.15604	0.2
511.18274	0.2
613.12439	0.5
673.23853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45732	0.4
56.98046	0.4
58.67573	0.4
59.01385	1.7
61.98847	0.5
69.63528	2.7
71.01395	0.6
74.99098	1.8
77.06553	0.4
78.95934	0.4
85.02954	1.2
88.45524	0.4
92.43349	0.4
93.03474	1.1
96.96009	1.6
105.03469	1.5
108.02176	0.5
113.02456	3.2
117.03474	4.3
118.04280	0.6
119.05038	69.0
120.05363	2.2
120.99670	1.0
121.02981	5.7
123.04563	2.3
133.02979	0.8
134.03751	2.2
137.02419	1.2
149.02480	0.5
163.04025	37.9
164.04376	1.3
169.93906	0.4
185.02209	100.0
186.02548	3.5
191.05650	1.6
193.05064	0.5
203.03238	1.9
237.04361	0.6
256.48709	0.4
257.04312	0.8
299.05276	2.2
325.09384	4.4
329.10278	1.1
347.07480	19.7
348.07861	1.3
373.09756	0.5
373.31488	0.4
391.06543	0.8
533.52179	0.4
657.45251	0.5
673.17511	5.4
674.17358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
57.03475	0.2
58.79195	0.2
59.01382	2.0
61.10069	0.2
62.13694	0.1
69.62359	1.0
71.01393	2.0
71.05047	0.2
73.02959	0.5
80.02694	1.2
81.03462	0.9
83.01404	0.2
83.05033	4.7
84.02188	0.4
85.02980	0.3
87.00883	0.5
89.02455	1.3
93.03442	0.3
95.05054	0.6
97.02983	0.2
97.06605	0.2
101.02462	1.6
109.06622	0.3
113.02467	0.7
119.03487	0.3
125.06116	0.5
125.09674	0.3
129.24628	0.2
135.08173	0.5
143.03586	0.2
145.05118	0.2
149.09790	0.3
151.81477	0.2
159.53380	0.2
161.04567	0.6
163.11296	3.3
165.12856	1.9
171.10291	2.3
181.12366	0.6
191.05675	0.6
191.10825	1.0
199.13409	0.3
207.10271	0.2
209.11847	100.0
210.12178	6.3
221.11818	0.3
225.11366	0.2
227.12900	12.8
228.13179	0.8
235.08224	1.9
247.13484	1.2
253.09322	5.4
265.14401	0.4
401.23154	0.3
419.24173	0.2
445.20862	0.6
463.21652	0.3
611.31091	0.4
637.32666	0.6
644.26721	0.2
655.32861	0.3
670.82056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76582	0.2
57.03438	0.3
59.01390	2.2
69.55579	1.4
69.70950	0.2
71.01386	1.5
71.05038	0.3
73.02982	0.4
74.46564	0.2
80.02665	1.1
81.03468	1.3
83.05038	4.7
84.02173	0.7
85.02985	0.5
85.65985	0.2
87.00854	0.5
89.02444	1.0
90.70606	0.2
91.64313	0.3
95.05022	0.8
98.20756	0.2
101.02457	1.3
109.06556	0.3
113.02442	0.7
119.03532	0.3
122.13262	0.2
125.06110	0.5
125.09717	0.3
135.08171	0.6
135.47633	0.2
161.04553	0.9
163.11302	3.8
165.12872	2.0
171.10309	2.4
179.05609	0.3
181.12364	0.6
191.05620	0.6
191.10760	1.1
207.10330	0.2
209.11842	100.0
210.12190	7.1
221.11874	0.4
227.12907	12.2
228.13222	1.0
235.08240	1.7
247.13345	1.0
253.09334	6.0
419.24368	0.3
445.21182	0.7
557.36273	0.2
611.31689	0.2
637.32434	0.6
655.33704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
59.45907	0.3
64.18945	0.4
66.61065	0.3
66.68645	0.3
71.01392	0.8
71.46800	0.3
71.54356	0.4
81.03464	0.4
83.01387	0.6
85.02968	0.4
93.03469	0.7
96.96031	2.3
97.02954	0.8
98.11729	0.3
101.02486	0.5
101.09871	0.3
103.36668	0.3
107.01405	1.7
109.02985	0.6
111.00935	0.5
112.80225	0.3
116.86066	0.3
116.92885	0.7
121.02960	1.2
122.03735	0.4
123.00894	1.0
123.04545	0.6
125.02458	2.4
130.44557	0.3
132.49992	0.4
134.03755	0.8
135.00891	1.7
135.04526	1.6
136.01668	4.7
137.02477	0.9
138.03230	0.6
145.02924	0.3
147.04570	0.5
149.02490	1.6
149.06096	1.4
150.03255	2.0
151.00423	0.7
152.01184	0.4
161.02481	0.6
163.00356	3.1
163.04108	0.3
164.01170	4.6
165.01959	2.3
166.02728	0.8
173.04561	1.0
175.00444	0.7
175.04013	0.5
177.01912	1.0
178.02708	2.9
189.99139	0.8
190.99907	0.9
191.03506	0.9
191.05638	2.3
192.00610	1.0
193.01451	2.0
199.03963	0.4
203.03618	0.5
205.01451	1.1
206.02205	1.2
210.01735	1.8
211.07655	0.3
213.05591	0.4
215.03506	0.7
219.03018	1.9
219.04880	0.4
227.07108	0.7
231.06667	0.5
241.04976	0.4
255.06514	0.8
269.08243	0.4
271.06113	0.6
283.06177	0.5
285.03973	0.4
285.07773	0.4
287.09265	0.9
298.08560	0.4
299.05627	1.2
312.06403	0.4
313.07281	2.3
313.10699	0.5
314.08014	3.0
315.08670	1.2
324.06631	0.4
327.05075	0.5
327.08646	0.4
329.10416	2.5
339.08868	1.4
342.07578	2.8
342.96030	0.4
343.08130	0.4
357.09827	63.0
358.10178	6.2
369.09763	1.0
381.09756	0.8
387.10919	1.2
399.10858	1.5
477.14053	100.0
478.14423	12.5
519.15106	4.8
639.19623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35092	1.3
57.03442	2.0
59.01385	70.0
59.92367	1.4
69.03456	2.1
69.27065	9.2
69.27483	5.3
71.01390	30.9
72.99313	1.6
73.02956	41.3
79.95745	4.7
83.01399	11.4
85.02962	7.8
87.00906	2.2
89.02451	10.4
91.82481	1.8
93.03482	7.8
94.03004	5.6
95.01385	3.2
96.96021	100.0
97.95945	2.5
98.20687	3.7
98.95606	31.0
98.96405	4.5
101.02461	40.7
111.04521	2.3
113.02463	18.0
116.92854	2.0
119.03492	6.4
128.03494	3.9
131.03508	5.0
133.02878	1.7
135.04590	2.5
137.02492	3.7
143.03513	5.0
149.04568	12.7
161.02448	2.0
161.04558	24.5
167.03520	2.4
173.04628	8.2
179.03453	2.1
179.05594	3.6
191.05655	24.5
193.05185	2.3
203.05673	2.1
213.06676	2.4
221.06683	10.9
249.12859	2.5
257.05652	9.7
263.10721	3.0
265.12332	2.6
281.06720	1.9
285.03946	1.8
297.09549	8.7
357.09726	3.3
427.17523	2.3
428.23923	2.0
443.97028	1.9
459.14752	6.5
469.18674	32.2
470.19073	4.8
477.13998	3.7
675.23511	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	675.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.5
63.46586	0.2
64.73286	0.2
71.01388	0.4
75.30442	0.3
86.39469	0.3
93.03467	0.4
94.19955	0.3
96.96024	2.5
98.19907	0.4
109.02927	0.4
112.98502	0.3
113.02443	0.4
161.04527	0.4
168.66650	0.3
191.05702	1.4
205.28909	0.2
209.11835	1.5
210.12172	1.0
222.10587	0.3
235.11290	0.7
236.12114	0.6
248.08319	0.6
249.09103	1.7
250.09975	2.2
263.10791	12.9
264.11450	3.9
265.12350	100.0
266.09796	0.5
266.12683	9.4
409.16608	6.6
410.17026	0.6
427.17599	1.9
428.17786	0.4
469.18701	13.9
470.19037	2.1
670.47595	0.3
674.34436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58240	1.1
59.01385	18.3
59.22865	1.2
60.99280	1.1
61.98836	1.8
63.86920	1.3
64.25772	1.2
66.58111	1.3
67.64378	1.3
69.03481	1.6
70.71414	1.4
70.71770	4.1
71.01391	4.4
79.95747	1.4
83.05064	3.1
83.29482	1.5
84.75607	1.3
85.02941	4.2
87.00890	1.8
89.02450	2.1
93.03455	4.6
96.96013	28.6
97.02962	3.5
99.00900	2.1
101.02467	4.4
107.05041	1.3
109.06606	18.9
113.02516	2.5
117.51907	1.3
121.06610	2.2
125.02448	2.0
127.11343	1.6
133.02921	1.2
135.08168	2.5
136.05316	1.5
141.29471	1.4
143.89737	1.3
161.04543	2.3
163.11249	12.4
169.12338	1.6
171.10291	100.0
172.10600	3.5
173.04462	1.6
181.12383	2.2
185.11884	1.4
189.09250	2.3
191.05627	9.0
197.11838	10.8
207.10277	56.8
208.10628	3.3
209.11821	12.1
210.12213	1.8
224.04204	1.3
225.11299	20.3
226.11639	1.4
227.12933	2.1
235.08237	4.6
243.12384	2.4
253.09338	14.7
314.26608	1.4
316.45261	1.2
361.20200	1.8
407.18951	2.0
443.19165	3.8
461.20309	7.8
477.15619	13.9
478.15582	2.2
542.14258	3.6
597.29358	6.7
615.30359	24.3
616.30347	2.6
675.32416	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	675.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79667	1.7
53.94140	1.4
57.03450	3.1
59.01384	13.6
61.98836	3.2
67.01909	2.9
68.99569	1.6
69.03428	2.1
71.01385	11.3
71.54209	3.0
73.02940	2.5
75.00873	2.6
79.95752	6.4
81.03447	2.6
82.42100	1.6
83.01452	1.8
83.05042	5.0
84.02204	2.7
85.02969	7.6
87.00906	3.5
87.67425	1.4
89.02476	5.7
93.03457	14.3
93.50414	1.6
96.96021	97.6
97.06567	2.6
101.02444	7.5
111.00915	2.2
111.04581	1.5
112.98600	2.0
113.02459	5.1
116.92917	1.5
119.05028	1.7
122.06177	2.2
123.08157	1.9
125.09744	5.3
133.03026	2.0
135.04536	4.1
136.07811	2.0
137.02464	4.3
139.11369	2.0
142.71036	1.7
152.01169	2.8
152.07172	1.8
161.02487	9.6
161.04556	2.6
163.11354	5.0
167.03560	4.6
167.10847	4.9
169.12387	7.9
171.10333	7.1
173.04565	16.0
175.04050	2.3
178.02776	2.3
179.03497	2.6
185.11841	72.3
186.12239	4.5
191.05626	42.7
192.05948	1.6
197.11865	3.4
199.73871	1.8
201.11382	3.3
207.10333	1.6
209.11832	73.1
210.12158	12.1
211.12424	2.8
225.11427	3.3
227.03557	1.6
227.12846	12.1
228.13242	3.1
229.10872	1.8
235.08327	2.4
242.20145	1.5
253.09401	8.0
335.07663	2.3
341.08875	4.1
435.48270	1.4
449.19904	1.5
465.19995	3.3
581.23938	2.7
603.31219	2.1
657.32849	3.6
675.32739	100.0
676.33160	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21814	0.1
55.01887	1.7
57.03455	1.4
58.00599	2.2
59.01387	53.5
60.01713	0.4
61.98828	0.7
66.91055	0.2
67.01894	0.4
68.54307	0.2
68.99824	0.6
69.03462	3.1
71.01389	44.5
72.01744	0.6
72.99315	3.3
73.02956	7.7
75.00868	1.0
78.95903	0.2
79.01904	0.2
81.03468	1.8
83.01396	5.4
83.05042	0.6
84.02213	0.3
85.02961	9.6
86.00124	0.4
87.00887	10.7
87.04530	0.5
88.01238	0.2
89.02454	39.0
90.02785	0.5
91.04021	0.9
93.03477	0.7
95.01406	3.2
95.05050	0.3
97.02959	7.3
97.06602	0.2
99.00895	2.8
99.04530	0.6
101.02454	37.1
102.02798	0.7
103.00397	0.2
103.04008	0.3
109.02947	0.9
111.00903	0.8
111.04508	1.2
112.01709	0.4
113.02464	17.7
114.02754	0.4
115.04019	0.9
119.03514	12.3
120.03792	0.2
121.02998	0.8
123.00930	0.3
123.04538	0.4
124.01690	0.4
125.02462	14.5
126.02815	0.5
127.04022	0.6
127.07663	0.3
128.22655	0.2
129.01930	0.4
131.03526	1.9
133.05098	1.3
137.02403	0.3
139.04033	1.3
141.01930	1.0
142.02716	0.2
143.03514	6.9
143.04642	0.4
144.03845	0.3
149.02461	0.4
149.04558	1.1
157.05042	0.3
159.03012	0.2
161.04573	8.3
162.04910	0.2
163.04033	0.2
165.72490	0.1
167.03473	1.0
169.05095	0.5
169.23305	0.2
171.03032	0.4
179.05627	7.6
180.06018	0.2
181.05066	0.3
185.04568	0.7
199.06125	0.7
203.05605	0.5
205.19559	0.2
217.07172	1.5
218.29645	0.2
219.05058	0.4
221.06683	2.8
222.07109	0.2
232.09868	0.2
233.06792	0.2
233.22794	0.5
235.08235	15.4
236.08650	0.6
245.06622	1.0
253.09291	4.0
259.08374	0.2
259.20703	0.5
263.07718	1.7
275.20181	0.4
277.09570	1.5
277.21738	100.0
278.22095	9.2
287.07727	3.6
288.07950	0.2
291.23288	0.4
305.08807	4.2
306.09445	0.2
323.09805	1.8
361.11414	0.7
379.12555	1.1
389.75497	0.2
397.13525	80.6
398.13837	6.7
415.14594	36.2
416.14948	3.1
621.66357	0.2
675.35443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48439	0.2
55.01890	1.4
57.03453	1.1
58.00602	2.6
59.01386	51.7
60.99357	0.2
61.98831	1.5
67.01894	0.4
68.99795	0.4
69.03460	2.6
71.01389	43.8
72.01710	0.7
72.99320	2.9
73.02958	6.9
75.00889	1.1
75.77803	0.2
78.95923	0.8
81.03465	2.1
83.01393	5.0
83.05027	0.5
85.02961	9.2
85.03479	0.6
86.00103	0.4
86.03328	0.3
87.00885	10.3
87.04525	0.4
89.02453	36.6
90.02819	0.4
91.04031	0.6
93.03486	0.5
95.01395	3.4
97.02956	7.5
99.00886	2.3
99.04567	0.7
101.02452	34.5
102.02794	0.7
103.04042	0.7
109.02961	0.6
109.62589	0.3
111.00913	0.6
111.04527	1.5
113.02460	17.1
114.02788	0.5
115.04031	1.1
119.03510	12.2
121.02998	0.6
123.00920	0.3
123.04532	0.3
124.01717	0.6
125.02457	15.2
126.02821	0.4
127.04055	0.8
127.07667	0.5
129.01955	0.3
131.03522	2.1
133.05084	1.2
137.02492	0.3
139.04012	1.7
141.01945	0.9
143.03516	8.4
149.02470	0.5
149.04591	1.6
152.99612	0.5
157.05107	0.4
161.04564	8.7
167.03481	0.4
169.04985	0.6
179.03894	0.3
179.05615	7.6
180.05974	0.3
185.04535	0.7
197.04610	0.3
199.06062	0.6
203.05667	0.6
217.07130	1.4
219.05133	0.5
221.06645	3.1
235.08234	16.5
236.08603	0.8
245.06696	1.1
253.09276	4.7
263.07672	1.8
275.20343	0.5
277.09409	1.0
277.21735	100.0
278.22067	9.5
287.07797	3.6
291.23328	0.3
302.71613	0.3
305.08817	4.4
323.09747	1.7
361.11575	0.7
379.12579	1.1
397.13531	84.5
398.13892	6.8
415.14609	34.7
416.14999	3.0
675.35498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01717	0.9
71.50040	0.4
78.95902	3.2
80.96548	0.8
96.96026	1.0
98.19919	1.6
152.99590	2.1
171.10283	1.0
212.20032	0.5
277.21741	1.2
486.47269	0.5
555.28955	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	677.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55965	0.3
59.01382	1.2
61.98837	0.5
67.01886	0.4
71.01386	0.9
71.54344	0.6
79.95746	4.8
80.96534	1.5
83.05041	0.6
85.02952	1.2
87.00887	0.6
93.03465	2.4
94.98070	0.8
95.95239	4.5
96.96022	100.0
98.95609	0.8
101.02491	0.4
109.02973	1.2
110.97610	0.6
112.93757	1.2
113.02447	0.7
116.92931	0.5
121.03065	0.4
122.97600	1.4
123.04585	0.6
123.22764	0.3
133.02943	0.5
134.03741	1.4
135.04526	1.0
136.01697	3.4
137.02451	0.9
139.04045	0.8
145.02975	0.6
147.04504	1.2
149.02435	0.8
149.06155	0.6
150.03227	1.4
151.04031	4.8
161.02446	0.9
162.03226	0.9
163.04039	0.6
164.04819	0.9
165.05592	0.8
166.02615	0.3
173.02502	0.7
173.04564	1.8
174.03212	0.4
175.04012	6.5
177.05609	0.5
178.02695	0.9
179.03499	0.4
190.06358	5.7
191.05634	8.9
191.06979	0.3
193.05049	3.1
205.08730	2.5
207.72789	0.3
209.11856	1.2
221.09691	0.5
222.10152	0.6
223.11295	5.7
224.11571	0.3
225.05609	0.5
226.06314	0.4
237.09232	1.4
253.05023	0.4
254.05762	0.7
258.02039	0.4
265.05002	0.3
267.10263	7.5
268.10477	0.5
275.02310	6.3
279.06625	0.6
282.05353	5.2
283.05713	0.4
297.07706	7.3
298.08170	0.5
299.09280	1.6
309.08075	0.4
309.11273	2.2
312.10077	8.9
313.10425	0.8
322.81921	0.3
327.08685	6.2
327.12415	4.9
328.09088	0.5
328.12723	0.3
341.10202	0.3
342.11157	4.0
347.06277	0.4
357.13455	7.0
358.14114	0.7
367.14084	0.5
369.13495	0.4
401.07407	0.6
401.12433	6.8
402.12704	1.0
423.21820	0.3
426.39334	0.4
429.15509	1.0
471.16547	2.0
505.46609	0.3
597.16394	0.4
659.27008	0.7
677.15424	26.1
678.15833	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	677.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54853	0.3
57.03455	0.5
58.00589	0.6
58.56858	0.3
59.01384	14.8
67.01910	0.4
71.01389	9.5
71.07922	0.6
72.99306	1.1
73.02938	0.4
78.91470	0.3
79.95744	7.9
80.96533	1.5
83.01408	0.7
85.02947	2.1
87.00920	0.3
89.02452	5.7
93.03474	0.9
94.52242	0.3
94.98071	0.7
95.01398	0.5
95.95244	13.7
96.96022	100.0
98.76978	0.3
101.02464	4.7
110.97598	0.7
113.02461	2.4
119.03534	2.4
122.97587	3.0
133.03073	0.3
135.04532	1.8
137.02492	0.4
152.41937	0.3
161.02457	1.6
161.04440	0.4
163.03995	0.5
165.01945	1.5
173.04594	1.5
174.61383	0.3
174.74207	0.3
177.01961	1.0
177.91365	0.4
178.79639	0.3
179.03510	2.5
179.05620	1.1
180.04247	1.0
185.87894	0.3
191.05606	3.4
191.07147	0.5
192.04268	0.7
193.05107	1.5
194.05675	1.0
195.06587	1.1
207.06696	0.7
209.08235	0.7
225.07570	0.8
288.03119	0.7
289.03857	0.4
305.03415	6.3
306.03595	0.4
353.08795	0.7
425.34671	0.3
467.08353	0.7
499.12988	3.2
515.12335	1.5
677.17584	36.5
678.17944	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	677.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03383	0.3
54.91544	0.4
59.01385	2.4
71.01385	1.4
71.11956	0.8
79.95744	20.2
80.96519	1.1
85.87697	0.3
89.02455	0.8
91.90451	0.4
93.03475	0.9
95.01383	0.4
95.95249	8.1
96.96022	100.0
99.35008	0.4
101.02453	0.8
110.14141	0.4
110.97594	5.2
121.03010	0.6
123.00900	0.4
125.02415	0.4
133.02971	0.4
134.03703	0.5
135.04512	1.7
136.01653	1.1
137.02415	0.5
139.03996	0.5
141.95795	0.5
147.04552	1.0
149.02443	0.5
150.03244	1.2
151.04021	1.8
161.02515	0.7
165.05588	1.8
166.02721	0.5
167.00241	1.5
167.03665	0.5
173.04588	1.7
179.03526	1.9
180.35915	0.4
181.05106	0.4
191.05573	2.5
192.05965	0.4
193.05042	0.7
195.06610	1.3
207.06638	0.6
224.04836	0.4
241.05017	1.4
256.07349	0.9
267.93387	0.4
271.09659	1.9
289.03784	0.5
305.03314	0.4
319.12186	0.5
324.27023	0.4
327.10889	2.1
331.04263	0.4
467.17188	0.8
471.09567	1.6
495.09869	0.6
497.11475	0.5
499.02179	0.8
499.09140	8.4
500.09647	1.7
513.10486	1.2
514.11328	1.9
515.12415	6.8
515.19263	1.2
516.12714	0.5
677.17615	66.1
678.17902	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	677.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54853	0.3
57.03455	0.5
58.00589	0.6
58.56858	0.3
59.01384	14.8
67.01910	0.4
71.01389	9.5
71.07922	0.6
72.99306	1.1
73.02938	0.4
78.91470	0.3
79.95744	7.9
80.96533	1.5
83.01408	0.7
85.02947	2.1
87.00920	0.3
89.02452	5.7
93.03474	0.9
94.52242	0.3
94.98071	0.7
95.01398	0.5
95.95244	13.7
96.96022	100.0
98.76978	0.3
101.02464	4.7
110.97598	0.7
113.02461	2.4
119.03534	2.4
122.97587	3.0
133.03073	0.3
135.04532	1.8
137.02492	0.4
152.41937	0.3
161.02457	1.6
161.04440	0.4
163.03995	0.5
165.01945	1.5
173.04594	1.5
174.61383	0.3
174.74207	0.3
177.01961	1.0
177.91365	0.4
178.79639	0.3
179.03510	2.5
179.05620	1.1
180.04247	1.0
185.87894	0.3
191.05606	3.4
191.07147	0.5
192.04268	0.7
193.05107	1.5
194.05675	1.0
195.06587	1.1
207.06696	0.7
209.08235	0.7
225.07570	0.8
288.03119	0.7
289.03857	0.4
305.03415	6.3
306.03595	0.4
353.08795	0.7
425.34671	0.3
467.08353	0.7
499.12988	3.2
515.12335	1.5
677.17584	36.5
678.17944	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	677.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50539	0.6
56.36309	0.6
59.01385	5.4
66.31931	0.6
71.01402	3.6
71.54790	0.8
73.02959	0.6
79.95745	32.3
80.96535	3.9
85.02946	2.3
87.00932	0.6
89.02454	1.8
93.03451	3.9
94.98119	1.4
95.94613	1.0
95.95244	32.0
96.96020	100.0
98.95648	0.9
101.02456	1.8
105.03476	2.6
107.04996	0.6
109.01342	0.6
109.02930	0.7
110.63291	0.6
110.97580	1.3
111.39996	0.6
113.02441	0.9
116.92853	2.2
121.02976	1.2
122.97598	22.9
123.04523	0.7
133.02971	1.1
135.04523	2.8
137.02470	1.0
141.95830	1.1
151.04041	6.9
155.03532	0.6
159.46413	0.6
161.02464	25.9
162.02782	1.3
165.01915	1.3
173.04541	4.7
176.04805	19.0
177.01952	1.7
177.05417	1.0
179.03511	55.1
180.03967	2.9
181.05086	0.9
191.05583	5.8
191.07164	5.8
192.04288	2.6
193.05011	1.8
194.05855	49.8
195.06322	3.6
207.06543	4.1
209.08205	41.6
210.08595	2.0
275.02295	1.5
289.00311	1.0
295.52161	0.7
305.03375	5.0
309.50146	0.6
335.74994	0.7
353.08929	1.7
449.45190	0.6
467.08673	59.0
468.08902	4.7
499.12613	1.0
515.12189	4.4
516.13074	0.7
522.35785	0.8
523.79431	0.7
677.17578	62.2
678.18073	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	677.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58693	0.8
59.01379	1.9
61.98832	4.0
71.08797	1.5
78.95891	2.3
85.00431	0.7
93.03471	1.1
96.96015	2.6
98.89911	0.8
108.02170	1.0
117.03498	5.9
119.01370	1.2
119.05035	22.0
121.02959	1.4
145.02963	25.3
146.03319	1.3
152.99585	2.1
154.54301	1.0
160.01656	1.2
161.02512	1.0
163.04028	12.6
191.05576	1.2
209.11845	1.9
217.81586	0.9
237.05278	2.0
237.07693	39.0
238.08098	1.9
263.10852	0.9
265.86731	0.8
287.10693	1.3
301.08359	1.6
302.09488	1.6
303.10159	1.8
315.10104	1.2
326.90271	0.9
353.11734	3.1
384.82620	0.7
395.12869	7.4
396.13647	3.8
397.14081	0.9
409.14554	1.7
423.12338	11.1
424.13205	16.3
425.13474	1.5
439.15524	100.0
440.15918	13.9
456.11957	1.0
494.11899	0.8
588.91614	0.9
677.35748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80439	7.7
54.29516	6.6
59.01372	19.3
61.98837	20.2
71.01401	10.9
71.53794	9.4
79.95710	10.8
85.02972	11.1
87.00861	8.3
93.03469	22.8
96.96021	100.0
97.82288	7.5
108.02193	9.8
117.03464	9.0
119.05030	29.8
121.03023	10.1
130.93849	8.2
145.02924	31.5
163.04062	11.4
173.04572	12.7
191.05597	81.4
197.11777	50.7
207.10274	19.7
209.11786	15.2
222.88548	8.9
225.11261	18.0
235.08104	9.4
237.07547	17.5
255.01311	8.2
292.31342	8.1
301.77548	8.6
315.10263	17.1
409.10773	35.5
411.16156	13.6
439.15546	38.3
461.20941	9.3
580.15442	12.2
623.30640	33.9
641.31439	20.7
677.29187	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	677.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03430	1.0
58.00582	1.5
59.01385	38.6
61.98816	1.4
67.01834	0.4
68.99805	0.5
69.03459	1.9
71.01387	33.7
72.99324	2.6
73.02567	0.4
73.02953	6.2
75.00863	1.1
78.95881	0.4
81.03446	1.5
83.01398	4.3
84.01698	0.4
85.02956	7.8
87.00884	9.1
89.02451	31.1
90.02819	0.5
91.04013	0.7
91.82185	0.3
95.01377	2.1
97.02954	5.8
98.20283	2.6
99.00909	2.3
99.04535	0.3
101.02453	29.6
102.02749	0.3
103.04030	0.7
109.02942	0.7
109.95028	0.3
111.00866	0.7
111.04496	1.0
113.02459	13.2
114.02743	0.4
115.04001	0.6
119.02673	0.7
119.03515	10.7
119.04913	0.5
121.02997	0.7
123.00855	0.6
124.01621	0.5
125.02457	11.1
127.04025	0.7
130.44020	0.4
131.03514	1.6
133.05077	1.0
138.97313	0.4
139.04019	0.9
141.02003	0.5
143.03510	5.4
149.04529	0.8
152.99533	0.9
161.04550	5.8
167.03484	0.5
169.05019	0.6
171.03027	0.6
179.05635	6.0
185.04552	0.7
199.06145	0.5
217.07149	1.0
221.06624	2.2
229.45744	0.4
232.39694	0.3
235.08247	13.3
236.08585	0.6
245.06567	0.7
253.09373	3.0
261.22180	0.3
263.07785	1.4
263.82394	0.3
275.06079	0.4
277.09283	0.4
277.21680	0.6
279.23300	100.0
280.23639	9.0
287.07718	3.8
293.24936	0.5
305.08771	4.2
323.09787	1.5
361.11621	0.6
379.12540	1.0
393.11957	0.3
397.13525	76.8
398.13889	5.4
415.14600	30.0
416.14954	2.3
482.98889	0.4
499.11426	0.3
595.28912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03461	1.3
58.00599	2.0
59.01384	41.5
60.01721	0.5
61.98835	0.3
67.01912	0.3
68.99825	0.8
69.03455	2.2
71.01385	34.9
72.01726	0.7
72.99310	2.2
73.02953	6.1
74.03294	0.2
75.00882	0.8
78.60456	0.2
78.95889	0.2
81.03473	1.9
83.01394	4.1
83.05074	0.2
85.02955	7.5
86.00126	0.5
87.00883	9.1
88.32018	0.2
89.02451	30.8
90.02805	0.4
91.04031	0.9
93.03474	0.5
95.01389	2.7
97.02958	6.0
98.20071	1.1
98.20758	0.5
99.00897	1.9
99.04541	0.4
101.02449	29.9
102.02779	0.3
103.00376	0.3
103.04021	0.5
107.03450	0.2
109.02992	0.4
111.00916	0.6
111.04507	1.2
113.02455	13.4
114.02751	0.3
115.04002	0.4
119.03515	9.6
121.02947	0.5
123.00826	0.4
124.01637	0.4
125.02456	11.5
126.02817	0.5
127.04028	0.6
129.01933	0.4
131.03522	1.7
133.05090	0.9
137.02475	0.2
139.04010	1.0
141.02005	0.4
143.03508	5.3
149.02499	0.3
149.04596	1.2
149.05687	0.2
155.03557	0.4
161.04558	6.8
162.04927	0.3
163.04057	0.2
167.03525	0.9
169.05067	0.4
171.03017	0.3
179.05611	6.3
185.04549	0.7
199.06197	0.6
203.05588	0.4
217.07190	1.4
219.05101	0.5
219.74724	0.3
221.06659	2.6
228.45900	0.2
235.08237	13.7
236.08620	0.5
245.06708	0.7
253.09290	3.4
261.22253	0.6
263.07639	1.5
277.09378	0.7
279.23291	100.0
280.23639	9.8
287.07745	3.6
293.24847	0.5
305.08789	4.1
323.09845	1.8
361.11417	0.6
379.12485	0.8
397.13507	77.1
398.13812	6.2
415.14572	34.0
416.14880	2.7
474.89999	0.3
484.41266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99526	0.2
58.02978	0.3
59.01383	0.2
66.04697	0.2
72.04575	0.2
80.05061	0.3
81.03463	7.3
83.05035	17.7
84.05329	0.3
87.94797	0.2
93.03452	0.2
96.96000	0.9
107.06124	0.5
108.04565	0.5
120.56490	0.2
125.07224	1.3
126.05610	0.4
135.04546	0.2
143.08250	0.5
157.13406	0.3
159.81052	0.2
166.70668	0.2
173.04622	0.3
191.05571	0.8
191.13176	0.2
199.18250	0.2
207.15082	1.4
222.16316	0.2
224.17709	3.6
225.16100	12.5
226.16393	0.8
230.63411	0.2
242.18765	0.9
290.22473	0.4
309.21725	0.9
324.26553	0.5
333.23007	1.0
338.05914	0.2
341.29379	0.9
348.09540	0.2
351.24088	0.3
367.26968	1.3
407.34146	0.3
433.31787	1.7
450.34503	1.4
451.32947	6.1
452.33008	0.8
550.43280	0.8
559.39929	0.4
565.44940	0.3
567.45471	0.2
593.44019	0.8
659.48328	1.3
660.49536	0.3
677.49731	100.0
678.50031	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	679.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19039	1.2
57.03455	28.8
59.01390	12.7
59.36819	1.2
61.98834	2.2
64.24720	1.6
66.83757	1.1
68.11049	1.3
71.01385	8.4
73.02954	5.8
79.95750	2.5
83.01389	1.6
85.02946	4.0
89.02433	2.9
93.03477	4.3
96.96024	18.3
99.04515	7.3
101.02459	11.4
108.02176	4.5
109.02940	5.8
113.02438	3.1
119.05000	1.1
121.02954	5.3
122.03745	2.8
123.04543	5.3
124.01659	1.6
125.02447	5.5
133.02942	2.2
134.03766	1.6
135.04549	4.9
136.05278	2.0
137.02444	2.2
145.02963	1.7
146.03754	3.2
147.04533	44.1
148.05054	2.1
149.02414	4.1
150.03264	10.6
153.05565	1.7
158.03764	5.2
159.04521	20.0
160.05312	37.9
161.02489	2.1
161.06062	16.1
163.04013	7.6
164.04782	20.3
173.04535	5.2
173.06088	7.3
175.04120	1.6
175.07652	33.5
175.92702	1.3
176.08018	2.0
177.05588	9.9
178.06354	11.5
179.03566	2.8
191.05627	20.1
192.06017	1.2
192.08096	1.5
193.05078	3.9
193.08710	4.7
231.12332	3.6
237.15465	1.5
251.07112	1.7
252.07933	3.0
267.06659	2.8
268.07382	20.5
282.09042	1.7
283.09811	25.8
284.03284	1.8
284.10355	4.9
285.04105	3.5
297.11295	4.7
298.12045	11.8
299.05640	2.8
299.12967	9.4
329.13959	100.0
330.14246	10.5
373.12915	17.9
429.59833	1.4
447.09335	2.0
535.18256	60.7
536.18494	7.8
577.19281	66.8
578.19904	8.6
617.22375	22.5
618.22815	3.8
679.22534	44.0
680.23077	6.8
681.65320	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	679.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82258	0.8
57.03452	2.2
59.01392	5.7
60.99303	1.7
67.01905	4.6
69.03447	2.0
71.01381	7.3
71.54697	1.4
73.02940	1.5
79.95745	1.4
81.03440	1.9
83.01374	2.0
83.05042	1.9
85.02960	3.8
87.00879	4.9
87.04510	3.7
88.98832	5.2
89.02428	1.1
93.03465	35.5
94.03809	1.3
95.01370	0.9
95.95222	1.1
96.96020	27.4
97.02964	1.1
98.95666	2.0
99.04530	1.0
101.02435	2.8
104.25455	0.8
107.04996	1.0
108.02161	1.3
109.02964	2.9
111.00880	2.6
111.04521	9.0
113.02464	1.7
116.92875	3.4
117.03513	1.0
119.05062	1.8
121.02965	2.1
123.04501	0.9
129.01880	1.0
131.31441	0.9
133.01418	1.6
133.02971	16.1
134.03737	3.5
134.89494	4.4
135.04541	60.1
136.04852	2.6
137.02448	11.7
137.09708	2.4
139.07611	1.0
144.88278	0.9
145.02925	1.0
152.01152	1.4
155.03546	12.4
155.09589	1.5
155.10793	18.6
161.02454	60.5
162.02756	2.6
167.03433	2.3
169.12364	1.2
173.04561	100.0
174.04874	3.9
176.03531	0.9
177.05690	0.9
179.03510	42.8
179.10750	2.1
180.03844	2.3
181.08612	1.3
191.05644	19.4
191.10735	1.4
192.05914	2.1
195.10374	1.2
199.09767	13.2
209.08315	1.5
241.08601	1.7
241.10840	3.5
253.10593	1.0
276.05823	0.9
281.06735	1.2
283.11932	5.0
284.03314	1.4
285.04041	3.4
309.13370	1.2
335.07742	99.3
336.07928	7.6
343.13968	7.9
344.13922	0.8
355.14096	4.8
371.11356	1.8
383.11050	1.2
385.11453	0.9
397.14856	1.3
446.08533	2.1
447.09268	3.6
517.19324	70.9
518.19708	7.5
632.90094	1.1
679.23053	24.8
680.23108	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	681.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41970	2.2
55.07585	2.4
57.03457	21.8
59.01384	5.2
71.01398	7.5
71.53626	2.5
74.68793	2.1
74.99123	2.4
83.01395	10.1
85.02960	100.0
86.03310	2.4
95.36425	2.6
95.37640	2.3
96.96016	18.3
101.02454	8.3
111.00903	25.5
119.05044	67.6
121.02962	16.5
129.01964	58.7
134.03731	2.8
135.04596	5.6
161.04512	4.0
163.04036	54.9
173.04567	3.0
179.03590	3.1
187.02528	2.9
191.05617	33.4
200.57709	2.5
205.03542	30.1
261.21716	2.4
325.09344	4.8
327.07205	41.1
375.07086	5.3
411.12256	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
59.01380	1.1
67.01900	0.6
69.45998	2.0
71.01399	1.0
73.02978	0.4
79.95745	9.1
80.96529	1.8
85.02961	0.5
93.03468	1.3
94.98109	1.1
95.94612	0.5
95.95242	13.2
96.96020	100.0
101.02425	0.6
107.78307	0.3
109.13472	0.3
110.97559	0.8
113.11334	0.4
119.05022	0.7
121.95477	0.3
122.97601	3.4
135.04555	0.6
136.01711	0.8
137.02440	3.7
145.02972	0.7
146.03732	2.0
147.04581	0.5
149.02397	0.5
150.03275	1.9
151.03986	0.5
161.02431	0.4
161.06073	0.6
162.03242	1.5
163.04010	1.2
164.01021	0.4
164.04756	1.6
165.01939	19.7
165.05568	1.8
166.02304	0.8
173.04556	1.2
177.01852	0.3
177.05528	1.0
179.03514	5.0
179.07130	1.5
180.04303	12.8
181.04662	0.6
191.05583	2.4
191.66173	0.3
194.05774	1.2
195.06648	14.0
196.06989	0.6
207.06496	0.7
210.05405	2.9
219.43369	0.4
225.07698	4.7
258.01971	0.5
259.02707	0.4
274.99637	0.6
275.02344	6.9
299.09467	0.4
327.08679	1.5
342.11087	1.6
357.13535	2.1
423.51559	0.4
507.28064	0.5
518.28961	0.4
519.15112	1.5
526.81146	0.4
549.12372	0.4
681.18573	35.9
682.18933	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	681.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
59.01380	1.1
67.01900	0.6
69.45998	2.0
71.01399	1.0
73.02978	0.4
79.95745	9.1
80.96529	1.8
85.02961	0.5
93.03468	1.3
94.98109	1.1
95.94612	0.5
95.95242	13.2
96.96020	100.0
101.02425	0.6
107.78307	0.3
109.13472	0.3
110.97559	0.8
113.11334	0.4
119.05022	0.7
121.95477	0.3
122.97601	3.4
135.04555	0.6
136.01711	0.8
137.02440	3.7
145.02972	0.7
146.03732	2.0
147.04581	0.5
149.02397	0.5
150.03275	1.9
151.03986	0.5
161.02431	0.4
161.06073	0.6
162.03242	1.5
163.04010	1.2
164.01021	0.4
164.04756	1.6
165.01939	19.7
165.05568	1.8
166.02304	0.8
173.04556	1.2
177.01852	0.3
177.05528	1.0
179.03514	5.0
179.07130	1.5
180.04303	12.8
181.04662	0.6
191.05583	2.4
191.66173	0.3
194.05774	1.2
195.06648	14.0
196.06989	0.6
207.06496	0.7
210.05405	2.9
219.43369	0.4
225.07698	4.7
258.01971	0.5
259.02707	0.4
274.99637	0.6
275.02344	6.9
299.09467	0.4
327.08679	1.5
342.11087	1.6
357.13535	2.1
423.51559	0.4
507.28064	0.5
518.28961	0.4
519.15112	1.5
526.81146	0.4
549.12372	0.4
681.18573	35.9
682.18933	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	681.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10755	0.5
57.03403	1.7
59.01331	2.1
60.99261	0.8
65.03936	0.6
67.01840	3.3
69.03464	3.4
69.03745	0.7
69.29043	5.5
71.01387	2.9
74.99104	4.1
79.95692	2.8
81.03426	0.9
83.04987	1.4
85.02908	1.5
87.00836	2.4
93.03469	56.1
94.03772	1.8
95.95198	2.6
96.96021	16.3
99.93578	0.7
109.02904	2.3
111.00840	1.1
111.04522	7.1
122.97547	0.8
127.03945	1.2
133.02975	6.0
134.03697	1.4
134.62192	0.6
135.04543	28.5
135.98279	0.7
136.04836	0.9
136.99188	3.1
137.02461	40.9
138.02733	0.9
139.11296	3.8
146.03734	1.0
148.04059	0.7
149.06078	0.6
155.03532	14.2
160.01649	1.1
161.02458	25.3
161.06075	0.7
173.04562	100.0
174.04935	4.4
179.03510	25.8
180.03870	0.9
183.10271	11.4
191.05629	30.7
192.04340	0.8
192.05923	1.0
207.06653	2.4
215.05640	0.8
217.00331	0.7
222.63348	0.6
335.07748	52.7
336.08115	3.6
341.09033	2.1
351.07480	2.3
353.08875	3.8
357.15561	93.8
358.15872	8.4
358.87610	0.7
367.10690	1.2
397.16122	0.8
497.12997	7.7
498.13480	0.9
501.11108	1.5
515.14581	2.8
519.18854	12.1
520.19562	1.3
543.15436	3.1
561.16614	1.0
681.25134	22.7
682.25067	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	681.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01382	1.5
60.99312	0.4
61.98836	0.3
67.01896	2.1
69.03465	0.4
71.01395	1.6
79.77602	0.3
79.95761	0.6
81.03506	0.4
83.05025	0.7
85.02962	5.8
87.00892	3.1
88.98840	0.4
93.03468	15.1
94.03811	0.4
95.95245	0.6
96.96008	2.7
104.09233	0.3
105.01937	0.8
109.02934	0.9
111.04559	1.9
119.46473	0.3
123.04542	0.5
127.04008	1.3
133.03004	1.7
133.32376	0.3
134.03751	0.6
135.04541	10.4
136.04816	0.4
137.02457	2.0
149.50879	0.3
150.03236	0.3
155.03525	0.9
161.02461	5.6
173.03130	0.7
173.04576	9.0
174.04941	0.4
179.03522	10.6
180.03876	0.5
183.10219	0.6
191.05627	100.0
192.05939	3.1
282.08768	0.3
283.10925	0.8
284.03171	0.5
327.09885	0.9
335.07672	2.4
336.08163	0.4
353.08783	14.8
354.09152	1.1
357.10919	0.5
357.15536	3.9
361.72980	0.4
413.75101	0.3
420.53122	0.4
477.14026	0.5
497.13388	0.3
507.18802	1.1
519.18842	0.6
537.18805	0.3
681.24213	17.3
682.24066	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	681.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15216	33.3
61.98818	40.8
74.90011	36.4
98.19941	100.0
116.92866	51.5
133.47424	43.0
169.34821	39.1
255.23392	59.5
302.11301	36.7
306.45767	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	681.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48875	0.4
57.03428	0.9
59.01373	1.5
60.85932	0.5
61.98837	18.6
67.01890	0.8
69.03460	1.3
69.70130	1.3
69.70539	1.2
71.01373	0.7
71.04998	0.5
72.51630	0.4
80.02695	0.5
83.05052	1.3
84.02172	1.5
85.02945	2.2
87.00867	0.6
93.03469	5.6
95.05064	0.9
96.96049	2.9
98.20608	0.5
99.08165	3.4
111.04523	0.7
119.05054	0.8
121.02802	0.5
123.04553	0.5
125.09716	2.0
127.07668	0.6
127.11311	1.5
129.09235	0.6
133.02972	1.1
135.04553	2.5
137.02438	2.0
137.09755	1.0
139.11320	2.3
141.09196	0.5
145.03040	0.5
147.11816	0.8
150.96771	0.6
153.12846	1.5
155.10864	0.5
155.14459	0.5
161.02440	0.7
163.11295	2.4
165.08977	0.8
165.12846	18.2
166.13185	1.1
167.14339	0.9
171.10287	4.5
173.04568	3.4
177.01920	0.5
179.03586	0.8
181.12341	0.6
183.13904	3.8
185.09514	0.7
189.05493	0.6
191.05605	13.1
191.06879	0.8
192.05981	0.7
193.08459	11.1
193.12161	2.2
194.08615	0.6
199.13402	0.7
201.09038	1.1
203.10550	1.6
205.12105	3.8
207.10052	1.5
209.11816	1.7
211.13411	21.7
212.13824	1.2
215.10501	1.4
217.08479	0.6
219.10010	3.1
221.11601	10.0
229.14459	13.7
230.14767	1.0
231.10042	8.7
233.11600	97.5
234.11990	5.9
235.09686	0.6
247.09415	0.7
249.11147	14.6
250.11380	1.2
251.12883	22.1
252.13124	0.7
265.10403	0.5
311.22031	0.7
329.23343	75.2
330.23645	7.3
331.19006	0.5
335.86353	0.5
351.21536	100.0
352.21866	8.8
458.45721	0.5
584.20953	0.6
672.25281	1.4
681.45099	11.7
682.45203	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	683.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01385	2.1
60.99294	0.9
61.81131	0.3
61.98832	0.5
67.01900	2.6
69.03453	0.9
69.17878	4.3
71.01392	2.5
72.99316	0.4
73.02948	0.5
81.03457	0.6
85.02964	6.2
85.83602	0.4
86.46329	0.4
87.00877	3.8
89.02431	0.8
93.03471	14.9
94.03804	0.8
95.05042	0.4
96.96018	3.9
98.95609	0.9
101.02441	0.8
105.03457	0.6
109.02960	1.0
111.00901	0.9
111.04526	1.8
125.02402	0.6
127.04019	1.2
128.03569	0.5
129.01941	0.4
133.02977	5.2
133.67162	0.4
134.03789	1.2
135.03514	0.7
135.04546	13.6
136.04909	0.6
137.02480	0.8
139.00362	2.2
140.01137	1.8
149.02463	0.5
150.03262	0.5
153.01949	1.5
154.02739	1.6
155.03511	4.8
155.04636	0.7
161.02444	4.6
165.01912	0.8
167.03545	0.7
171.03018	0.8
173.04590	4.7
177.01935	1.0
178.02686	0.5
179.03516	9.9
188.41817	0.4
191.05634	100.0
192.05972	3.5
203.03407	0.5
207.03073	0.6
212.04941	0.5
227.07060	0.5
236.98541	0.4
307.08191	0.5
308.09064	0.6
317.08807	6.4
351.07275	1.4
353.08804	33.6
354.09195	2.4
359.44995	0.5
367.10458	2.4
395.09933	5.8
396.10080	0.5
425.11053	0.8
455.11996	1.7
456.70392	0.4
513.60638	0.5
515.14136	0.6
521.13599	0.7
683.18140	8.7
684.18683	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	683.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
58.00590	1.9
59.01385	46.5
70.24715	2.0
70.25060	0.7
71.01389	32.1
72.99309	1.7
73.02972	0.9
74.52890	0.5
83.01419	0.9
85.02961	3.8
87.00911	1.8
89.02452	41.4
95.01385	1.7
101.02457	16.7
101.42165	0.6
113.02457	13.3
119.03516	14.2
120.03860	0.6
131.03516	1.4
143.03491	3.0
147.36864	0.5
149.04590	1.2
161.04564	3.7
175.95358	0.5
176.97894	0.6
179.05635	18.4
180.05940	0.5
228.04543	0.5
279.23816	0.6
341.10931	100.0
342.11243	7.5
526.43652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99286	0.5
53.15269	0.5
54.57472	0.5
57.03455	4.3
59.01383	5.4
69.03468	0.7
71.01392	4.3
72.08217	0.5
73.02952	0.5
78.30022	0.4
80.02673	0.8
83.01400	0.8
83.05016	1.1
85.02931	1.0
89.02460	4.7
95.05043	1.5
97.06597	14.3
101.02448	3.6
109.06535	0.5
113.02473	2.3
119.03520	1.2
122.26604	0.5
123.08173	6.8
125.09734	100.0
126.10086	3.3
143.03429	0.6
143.10793	1.4
169.08719	2.5
179.05612	0.9
187.09770	71.0
188.10150	2.8
201.11250	0.8
229.19618	0.6
253.09399	1.6
255.23291	1.2
261.13480	1.1
277.21729	14.8
278.22064	1.9
405.17746	7.1
406.18295	0.8
423.18729	18.9
424.18994	1.9
440.52286	0.6
522.35620	0.5
610.67401	0.6
636.20355	0.5
683.40143	91.9
684.40369	19.5
684.51660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.4
58.27645	0.6
58.99832	0.7
59.01384	5.6
63.70708	0.7
69.03440	0.7
71.01386	3.5
73.02946	1.3
78.95905	1.1
85.02962	1.1
87.00887	2.7
89.02447	2.4
95.05028	2.6
97.06597	16.3
101.02454	4.0
113.02470	1.4
119.48091	0.7
123.08193	8.3
125.09736	84.2
126.10040	2.6
145.05128	1.0
161.04552	1.3
169.08684	1.4
187.09772	35.6
188.10107	1.8
235.08218	3.6
253.09229	2.8
255.23286	1.7
277.21735	47.2
278.22113	3.8
393.06400	0.8
405.17648	6.2
423.18762	6.6
429.58127	0.8
651.24683	1.2
660.36621	0.8
683.40125	100.0
684.28632	1.4
684.40399	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	685.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01376	5.4
62.13944	0.8
62.28196	0.8
66.48257	0.8
67.01869	0.8
67.76588	0.7
71.01389	8.6
73.02942	2.3
83.01408	1.8
85.02981	4.9
87.00880	2.1
88.98798	0.8
88.99620	0.7
89.02463	2.0
93.03470	31.8
94.03761	1.0
95.01374	1.9
96.96015	4.5
96.96530	0.7
96.99299	0.8
99.00835	0.7
101.02461	5.5
102.05594	0.8
108.02178	4.6
109.02964	4.3
113.02470	3.8
116.92826	1.1
117.03436	1.2
118.98072	1.5
119.05019	1.1
121.02982	4.3
123.00909	0.8
123.04528	3.3
125.02468	1.5
128.03580	1.7
133.02959	1.5
134.03700	3.2
135.04530	3.2
136.01651	2.7
137.02460	55.8
138.03004	1.0
139.03975	1.2
145.02930	0.8
147.04541	7.9
148.05334	6.6
149.02438	2.4
149.06064	0.8
150.03206	2.8
151.04041	5.1
152.01198	4.5
152.04739	2.0
153.01918	2.5
153.05565	1.0
158.03767	1.5
159.04491	5.2
160.05333	10.2
161.02437	2.3
161.04570	0.6
161.06058	4.2
162.03194	2.1
162.06850	3.4
163.04053	4.2
164.04849	4.7
166.06404	1.2
167.03494	7.1
171.10335	0.9
173.04550	5.8
173.06023	1.9
174.03171	0.8
175.04022	3.0
175.07640	9.7
176.04721	2.2
177.05554	7.0
178.06317	2.0
179.03470	2.9
184.03738	1.2
189.05511	0.9
191.05595	11.0
191.07161	2.7
193.05022	2.0
202.00533	0.9
226.06256	1.3
241.08699	1.4
280.79535	0.8
281.06686	25.2
283.06601	0.7
283.09500	0.9
299.09222	3.5
300.10019	0.9
314.11636	4.3
315.12201	1.7
329.13910	3.4
335.07565	0.9
339.08527	0.8
345.13455	2.7
359.15021	8.9
373.25778	1.2
403.13992	3.3
565.19110	3.0
650.44684	0.9
667.20331	1.2
685.21362	100.0
686.21722	17.5
686.32416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03453	1.6
59.01381	5.5
70.81240	2.1
71.01393	7.9
73.02953	2.0
75.98255	0.7
79.95731	0.8
81.03407	0.7
83.01380	2.9
85.02925	3.8
87.00883	1.5
89.02458	1.2
93.03468	36.9
94.60538	0.8
95.01385	1.9
96.96016	4.0
96.99305	1.4
99.00883	1.1
101.02448	7.2
108.02183	4.3
109.02948	4.5
112.31512	1.0
113.02465	3.1
119.05044	1.7
121.02927	2.6
123.00930	1.0
123.04501	2.6
124.01669	1.1
128.03546	1.0
134.03737	2.1
135.04518	3.3
136.01660	3.0
137.02458	58.5
138.02823	1.2
139.04027	1.0
141.17833	0.8
145.03008	1.0
147.04541	8.3
148.05327	8.5
149.06116	0.8
150.03180	2.3
151.04024	6.1
152.01146	2.5
152.04764	2.4
153.01891	2.4
153.05496	1.2
158.03792	2.0
159.04533	5.3
159.95828	0.8
160.01767	1.2
160.05305	14.4
161.02452	2.8
161.04752	1.0
161.06093	6.0
162.03247	1.3
162.06883	4.3
163.04047	4.9
164.04773	2.7
166.06377	0.9
167.03464	4.3
171.10321	0.9
173.04555	4.1
173.06065	2.3
175.03998	2.5
175.07671	10.0
176.04770	3.1
177.05585	5.8
178.06239	2.5
179.03485	2.7
191.05585	10.1
191.07170	4.0
192.05943	1.3
193.05066	2.6
193.08765	1.1
195.84047	0.8
198.05328	1.0
221.04422	0.9
226.06305	1.4
236.78311	0.9
241.08580	1.1
281.06671	22.4
282.06833	1.6
299.09314	4.5
306.27429	0.9
313.10922	1.1
314.11642	4.3
315.12283	1.7
329.10510	1.4
329.13937	4.7
344.12747	1.1
345.13370	2.8
359.15051	10.6
360.15530	1.4
403.13916	3.7
452.90363	0.9
541.18866	1.1
565.19080	2.0
626.31934	0.9
636.93402	0.9
641.22168	1.1
642.31201	1.4
685.21368	100.0
686.21814	19.0
686.33441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03444	1.0
59.01380	8.0
61.98830	2.8
64.75224	0.8
67.01928	1.1
69.03455	4.2
71.01396	6.0
71.05029	1.4
71.54214	1.6
73.02970	1.6
78.95919	1.5
80.00215	0.9
81.03452	2.1
83.05026	3.7
85.02962	3.1
89.02430	1.6
93.03456	2.6
96.96030	4.6
97.02966	3.7
97.06586	1.1
99.00935	1.0
101.02435	2.7
109.02950	1.1
109.06615	14.9
113.02463	1.4
121.06555	1.4
123.08155	2.3
123.63896	1.0
125.09724	3.4
135.08170	2.6
139.65749	1.0
151.11263	3.2
153.12822	1.5
161.09711	3.9
163.11308	7.3
171.10266	1.6
173.04550	3.3
179.10823	6.9
181.12338	3.7
182.15013	0.9
185.11894	0.9
191.05617	5.0
197.11842	55.4
198.12143	2.9
201.11461	0.9
203.99823	0.9
207.10300	22.1
209.11835	5.9
211.13519	1.1
221.11780	1.9
223.09712	1.0
223.13452	1.3
225.11362	12.0
235.13518	1.0
241.10732	3.3
253.09322	4.0
387.21542	1.0
461.19983	1.5
477.19757	2.7
513.51044	1.2
538.30658	1.1
562.81921	1.0
618.26514	1.1
641.31732	1.4
667.30157	1.7
685.30835	100.0
686.31354	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	685.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.3
59.01369	4.9
61.98831	9.7
64.55411	1.3
69.03490	1.4
71.01382	6.1
71.54424	1.6
73.02950	1.4
78.95893	2.3
85.38975	1.6
87.00888	2.1
89.02460	1.8
97.06581	14.2
101.02430	5.9
102.42484	1.5
113.02451	2.6
113.25924	1.6
121.83566	1.3
123.08191	9.8
124.08342	1.4
125.09737	81.3
126.10049	3.1
141.21725	1.5
148.26665	1.4
153.43486	1.2
161.04616	1.3
176.07327	1.6
187.09789	37.3
188.10098	1.6
235.08203	2.8
239.20512	2.0
253.09312	2.8
255.23268	3.2
279.23297	54.0
280.23624	4.9
315.08041	1.5
405.17392	4.7
423.18637	4.9
490.42639	1.7
685.41705	100.0
686.42059	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	687.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08628	1.1
52.26024	1.0
57.03461	1.6
57.27399	1.0
59.01382	11.3
61.98828	3.8
67.01898	1.7
68.99830	1.4
71.01391	18.1
73.02954	3.8
79.95746	1.4
83.01395	3.3
85.02955	7.1
87.00895	2.1
89.02450	3.4
93.03470	43.3
94.03800	1.6
95.01385	2.5
96.96011	14.1
96.99302	1.5
99.00876	1.5
101.02448	10.2
105.03429	1.9
107.01372	1.5
108.02205	3.0
109.02985	6.0
113.02479	7.5
119.03527	2.0
119.05087	1.9
121.02944	5.4
122.03761	4.3
123.00928	1.7
123.04505	1.0
124.01687	1.4
129.01967	1.3
132.02209	1.7
133.03001	2.0
134.03806	1.7
135.04520	3.8
136.01669	6.0
136.04929	1.2
137.02460	69.4
138.02794	3.4
145.02960	2.0
146.03777	2.6
147.04562	2.6
149.02493	6.5
149.06139	2.0
150.03241	31.8
151.00388	3.7
151.04019	13.8
152.01201	2.6
153.01936	4.7
161.02461	27.9
161.04587	1.4
161.06166	1.1
162.03229	7.9
163.04027	2.4
164.04816	4.1
165.05583	22.0
167.03520	2.1
173.04568	5.9
175.03999	1.5
176.04802	12.8
177.05571	4.3
179.03514	47.1
179.07068	6.2
180.04294	16.9
191.05618	20.3
191.07167	4.6
192.06068	1.3
193.05025	3.5
194.05850	30.6
194.07666	1.5
195.06641	40.3
196.07033	2.4
209.08212	23.6
210.08649	1.2
227.07005	1.4
249.07600	1.3
281.06674	92.5
282.06958	4.4
285.04037	2.1
356.82394	1.2
357.13394	2.7
377.94116	1.1
477.14056	100.0
478.14453	8.5
516.67255	1.3
524.34552	1.4
528.43042	1.3
607.15039	5.0
686.40558	7.2
687.21478	8.7
687.40881	4.2
688.22571	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82623	0.7
58.00598	1.6
58.54268	0.7
59.01387	37.0
60.01712	0.9
61.98854	0.8
66.04507	0.7
69.04355	0.8
71.01392	23.0
71.53705	1.4
72.99303	1.9
73.02969	0.8
74.99114	1.4
83.01375	1.1
85.02975	4.7
87.00889	1.1
89.02451	20.7
94.10973	0.8
95.01389	1.7
95.83208	0.9
96.96021	3.8
99.00922	0.9
99.04546	1.2
101.02454	15.6
103.39557	0.8
108.04592	1.0
113.02463	9.2
119.03529	7.5
119.05025	2.3
123.08415	0.9
128.32126	0.9
136.99220	1.4
149.04591	1.4
161.04538	1.3
161.08186	5.1
163.04044	1.5
173.04605	1.5
173.61783	0.8
178.04994	1.0
179.03537	1.5
179.05611	1.3
191.05670	4.5
229.01328	1.9
319.14063	1.2
323.13498	100.0
324.13791	7.9
325.13892	1.2
345.11658	5.6
387.11792	1.0
439.16293	1.0
555.69073	1.1
571.67584	0.9
687.18420	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	687.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.5
59.01108	1.2
59.01382	14.2
61.98820	1.0
64.53985	0.7
68.99826	1.4
69.03461	1.5
71.01388	12.1
71.32635	0.9
72.99323	1.7
73.02940	3.3
73.51916	0.7
80.02677	2.0
81.03452	1.8
83.01369	2.5
83.05038	9.3
84.02172	1.8
85.02960	3.6
87.00871	2.7
89.02455	6.3
93.03452	2.9
94.20618	0.8
95.01378	2.2
95.05024	1.1
96.96004	3.0
97.02940	1.0
97.06613	1.1
101.02462	8.1
102.05532	1.3
109.06636	2.0
111.04493	3.4
113.02448	5.2
116.92876	1.0
119.03494	2.5
123.04528	1.7
125.02458	2.8
125.06059	1.3
125.09727	2.0
128.03535	4.4
134.03749	0.9
135.04480	1.1
135.08183	1.3
139.11330	1.2
143.03561	1.3
149.99606	1.1
151.11320	1.9
153.09280	0.9
153.12849	1.1
161.02457	0.9
161.04558	2.3
161.09662	2.2
163.11327	7.0
165.12857	3.6
168.00748	1.0
169.12352	27.3
170.12784	1.4
171.10274	20.0
172.10594	1.6
173.04530	1.8
177.09218	1.4
179.05687	1.0
179.10760	2.5
181.12337	1.2
185.11734	0.9
191.05615	11.2
191.10907	1.0
197.11847	51.9
198.12213	2.2
199.09770	1.2
201.11363	1.9
205.08656	1.5
207.10324	4.2
209.11841	100.0
210.12238	4.4
213.11212	1.9
214.40833	0.9
223.09756	10.3
225.11302	5.7
227.12900	11.6
235.08284	2.2
241.10707	1.9
253.09279	7.3
310.69742	0.9
415.21017	1.1
459.18811	2.1
461.20111	1.0
477.19794	1.5
615.31061	1.1
627.33710	1.1
644.32922	6.9
645.35077	1.3
651.30029	3.7
669.31976	4.2
687.32343	95.2
688.32758	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	687.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03445	0.5
59.01387	8.3
67.01882	0.5
69.03461	4.5
71.01381	8.1
71.05022	2.3
71.53974	0.5
71.54374	0.6
73.02959	1.3
80.02681	1.3
81.03457	2.0
83.01379	1.5
83.05034	6.4
84.02150	1.4
85.02959	2.5
86.04551	0.5
87.00894	0.9
89.02449	2.5
93.03445	1.5
95.05006	1.5
96.96023	1.5
97.02948	1.5
97.06600	1.4
99.00885	1.8
101.02441	4.0
109.06593	1.2
111.04539	1.1
113.02464	3.1
119.03510	0.8
121.06740	0.6
123.08179	1.8
125.09738	3.3
133.03030	0.6
135.04524	1.0
135.08173	1.0
149.09772	0.6
151.11281	3.2
153.12854	1.7
161.04593	0.7
161.09735	4.4
163.10303	0.5
163.11346	6.7
165.12830	3.4
169.12338	0.7
171.10312	3.1
173.04616	0.6
179.05606	0.6
179.09383	0.7
179.10799	8.4
181.12370	1.3
185.11905	0.9
191.05663	3.6
191.10770	1.2
197.11858	53.7
198.12245	3.7
205.93881	0.6
207.10335	3.1
209.11855	67.2
210.12202	4.4
223.09862	1.9
225.11354	3.3
227.12909	5.9
235.08182	1.1
241.10849	2.3
243.12463	0.8
243.32661	0.6
253.09219	3.9
285.04147	2.4
301.44217	0.5
390.28006	0.6
392.56665	0.6
410.95563	0.6
459.18628	1.0
477.19827	2.1
527.41528	0.6
565.77997	0.7
669.31055	1.8
687.32355	100.0
688.32715	20.8
688.41766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03453	1.7
58.00599	3.0
59.01385	100.0
60.01728	1.2
69.03465	0.7
69.29214	3.3
71.01389	51.0
72.01755	0.5
72.99319	3.3
73.02956	15.9
75.00890	0.6
83.01398	6.2
85.02460	0.8
85.02960	15.2
87.00886	3.2
89.02454	43.2
90.02776	0.8
93.03463	1.5
95.01390	4.3
96.35238	0.4
96.96014	4.2
97.02949	0.8
99.00888	1.1
99.99703	0.4
101.02453	32.4
102.02771	0.5
102.05630	0.8
103.36225	0.4
108.02146	0.6
109.02979	0.7
110.95625	0.4
111.04519	0.6
113.02462	29.2
119.03516	19.6
120.99659	3.1
125.02419	1.4
128.03551	1.0
131.02660	0.4
131.03531	3.7
133.11371	0.4
143.03506	5.6
149.04581	3.0
151.00343	0.5
152.01125	0.7
153.01889	0.5
155.03554	0.4
161.04558	10.2
161.05876	0.8
167.03482	0.9
171.10323	1.8
173.04509	2.1
179.05617	12.1
179.10741	0.4
191.05615	3.4
209.11836	2.2
223.09605	0.7
225.11128	0.6
234.19286	0.4
253.09305	0.6
341.56381	0.4
447.27240	0.8
465.28586	2.1
513.26611	0.8
627.33887	28.3
628.34265	5.1
643.30707	1.4
645.34955	20.7
646.35272	3.1
648.70966	0.4
687.22266	0.5
687.35297	5.5
688.34344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87532	0.3
56.49862	0.2
57.03467	0.3
59.01384	5.0
61.98832	0.7
68.03535	0.2
69.17258	2.6
71.01390	3.3
72.99345	0.3
73.02954	1.2
81.03464	0.4
83.01403	0.6
85.02959	2.0
85.50165	0.3
87.00890	0.6
89.02464	2.0
93.03441	1.7
95.01405	0.5
96.96028	1.9
99.00908	0.4
101.02470	2.4
101.03065	0.5
102.05592	1.3
108.02185	25.9
109.02430	0.5
111.04523	0.4
112.62720	0.2
113.02451	1.5
119.03540	0.7
119.05025	0.5
123.03634	0.5
123.04538	10.6
124.04906	0.3
125.02451	1.0
127.04121	0.3
128.03560	2.5
133.02975	0.6
134.03711	0.3
135.04547	0.4
137.02473	0.5
143.03537	0.6
146.04631	0.7
147.04602	0.4
149.02463	0.3
151.00400	0.6
152.01166	53.7
153.01509	1.5
155.03464	0.3
160.05309	0.3
161.02489	0.6
161.04565	1.2
163.04065	0.4
167.03511	100.0
168.03860	3.5
169.01393	0.3
171.10318	1.1
173.04576	2.0
175.07767	0.3
179.03575	0.3
179.05658	0.5
191.05632	7.5
192.05873	0.5
193.05087	0.3
195.10170	0.3
201.11353	0.3
205.08716	0.5
207.10284	0.6
209.11839	2.8
223.09784	0.9
225.11305	1.1
227.12965	0.6
237.07675	0.3
241.05035	0.4
241.10838	0.3
253.09315	0.7
283.02484	0.3
285.04135	0.4
313.15298	0.3
329.13965	0.8
353.14178	0.5
357.26569	1.3
375.27542	10.7
376.27866	1.0
417.28711	0.6
421.90015	0.3
519.31720	0.8
590.16852	0.3
627.34296	0.4
643.31384	1.6
644.32745	2.5
669.31573	1.0
687.35791	6.1
688.35950	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	689.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48671	1.4
54.24882	1.6
57.03446	4.3
59.01381	12.0
61.98823	3.3
63.02401	4.4
65.00331	21.0
66.89668	1.6
71.01387	9.0
71.55020	2.5
73.02935	4.2
79.95724	1.7
83.01395	13.4
83.05026	2.8
85.02959	9.2
87.00878	4.8
89.02468	3.8
93.03445	9.7
95.01383	2.6
96.96017	56.7
98.95592	4.7
101.02443	5.0
107.01401	30.3
108.02225	3.7
109.02957	6.3
109.06581	2.1
111.04536	3.4
113.02441	3.7
121.02970	2.4
123.04588	3.1
125.02468	31.1
127.03985	2.5
127.11277	1.8
128.03529	2.7
130.09424	1.7
133.02954	1.8
135.04517	4.9
137.02438	7.5
139.04019	1.9
149.02446	3.3
151.00389	75.7
151.03908	1.8
152.01094	2.0
153.01918	6.2
161.02423	4.3
163.11308	2.0
165.01958	2.0
167.03468	7.0
167.31226	1.6
171.10281	26.1
172.05292	6.9
173.04607	12.9
174.03166	3.0
174.04909	1.6
175.00359	4.6
175.03795	1.9
179.03564	3.7
191.05630	58.3
192.06026	4.2
199.07645	2.0
201.09242	68.0
201.11281	6.3
202.09496	3.7
207.10292	4.8
209.11835	39.2
212.04774	3.1
213.05580	1.9
223.07594	1.8
225.09242	4.1
225.11343	12.6
226.06322	2.3
227.07100	5.5
227.12935	4.1
229.08708	42.7
230.09050	3.5
235.08078	2.1
243.12357	2.0
249.09264	3.0
251.07216	8.4
252.07788	3.1
253.08968	10.3
255.02962	2.1
255.06612	11.7
256.06897	2.4
265.08484	1.9
277.08661	3.7
279.06662	13.8
281.09253	2.6
283.02234	2.9
283.10782	3.1
284.03278	3.9
285.04114	3.0
295.09857	2.2
297.04037	2.2
308.03302	4.5
309.04150	10.2
318.08905	2.3
319.09787	4.5
320.03146	3.3
334.08643	4.0
335.09311	8.1
338.04242	4.0
351.08698	5.1
353.10367	21.6
362.07977	6.6
363.04163	2.7
363.08762	61.1
364.09116	6.2
381.09845	68.5
382.10083	6.3
387.08942	4.1
404.97113	1.8
405.09695	10.2
443.18515	2.1
459.11807	2.6
461.20123	3.0
595.21631	2.1
629.20233	1.7
639.21027	2.8
642.50623	1.7
671.19836	61.4
672.19904	13.3
689.20905	100.0
689.32849	4.8
690.21210	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01381	9.4
67.63477	0.9
69.03465	1.8
70.59042	1.9
71.01389	41.5
71.05017	1.2
72.99283	0.9
73.02950	2.9
79.61810	0.9
80.02664	0.9
81.03447	2.5
83.01387	1.4
83.05016	4.9
85.02515	0.9
85.02942	5.1
87.00883	3.8
89.02436	3.6
93.03467	5.4
95.05039	2.1
96.96040	7.0
97.02943	2.5
97.06609	1.3
99.00888	4.1
101.02451	6.5
109.06585	5.4
111.00900	1.1
111.04526	1.8
113.02460	3.0
119.03491	1.4
125.06105	1.1
125.09708	3.7
127.04035	1.5
127.11287	2.1
135.04503	3.3
139.07602	1.1
145.05063	1.5
161.02501	1.0
161.04480	1.9
163.11328	9.6
165.12820	3.0
169.12383	1.7
171.10281	34.0
173.04536	3.7
181.12337	5.9
185.11852	2.6
189.09155	1.3
191.05621	19.6
191.10780	1.1
192.05922	1.7
197.11838	9.0
199.09789	1.3
199.13322	5.3
201.11349	16.7
207.10278	17.9
208.10493	1.0
209.11839	100.0
210.12181	6.9
213.77687	0.8
215.12900	2.6
225.11348	30.4
226.11629	2.5
227.12918	14.3
228.13361	1.1
235.08218	3.2
243.12381	5.3
251.12813	1.8
253.09343	9.4
291.19580	2.6
342.37936	1.0
397.13522	1.5
461.20190	5.6
479.20956	1.9
635.30884	2.2
645.36151	2.8
653.31500	3.1
657.31464	1.9
671.32465	4.1
689.33752	27.7
690.34247	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	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
58.00594	1.1
59.01158	0.9
59.01389	8.8
67.01900	1.1
69.03455	1.2
71.01390	44.6
71.05022	1.0
71.53700	1.7
72.99321	1.7
73.02944	3.5
80.02672	1.5
81.03445	2.0
83.05030	8.6
84.02171	0.9
85.02956	5.2
87.00879	3.6
89.02460	7.0
93.03481	4.9
93.29208	1.1
95.01385	1.6
95.05043	2.9
96.96016	5.6
97.02956	3.1
97.06635	1.2
99.00883	4.8
101.02445	6.9
101.94478	0.9
109.06608	5.5
110.03735	0.9
111.00899	1.3
111.04534	1.2
111.08142	0.9
113.02462	4.9
119.03546	1.2
121.06626	1.2
125.06137	1.0
125.09724	4.1
127.11263	1.9
135.04514	1.6
135.08162	1.6
137.02426	1.5
143.03487	1.8
149.09804	1.1
151.11369	0.9
152.50932	0.8
155.10779	1.7
161.04568	2.5
161.09734	1.5
163.11305	10.8
165.09157	0.9
165.12883	4.7
171.10272	35.9
172.10590	2.2
173.04527	3.3
181.12369	7.9
183.13901	1.1
185.11862	2.5
189.09277	1.1
191.05626	13.6
191.10744	1.4
192.05934	1.9
197.11812	7.5
198.12097	1.7
199.09631	1.1
199.13467	5.4
201.11340	16.7
202.11600	1.5
207.10300	25.8
208.10570	1.8
209.11841	100.0
210.12192	7.2
215.12933	1.9
225.11342	35.2
226.11737	2.8
227.12897	15.1
228.13136	1.5
235.08264	3.5
243.12341	6.4
251.12910	1.2
253.09320	11.8
291.19730	5.1
295.10495	1.4
397.13251	2.2
415.14514	1.4
461.20029	6.7
479.21622	2.2
645.36877	2.0
653.31958	4.1
657.31683	1.9
671.32861	4.6
672.33740	1.5
689.33856	33.8
690.34027	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	691.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.2
71.01379	0.1
71.54130	0.2
79.95744	3.2
85.02936	0.1
93.03463	0.3
96.96020	100.0
97.95953	0.3
98.95621	0.2
127.39262	0.1
137.02423	0.1
164.83556	0.1
173.04573	0.6
191.05586	0.7
231.87418	0.1
285.04028	0.9
367.10498	0.2
452.02850	0.1
593.14954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28585	0.1
59.01379	0.7
61.98819	0.2
67.01889	0.2
71.01398	0.6
79.95750	3.7
84.94337	0.1
85.02977	0.1
93.03469	1.0
96.96023	100.0
97.95950	0.2
98.95560	0.3
101.02458	0.4
111.04532	0.2
113.02486	0.2
114.34587	0.1
117.33204	0.1
121.02995	0.7
134.03720	0.9
135.04541	0.3
137.02487	0.2
149.06120	0.2
159.53795	0.2
161.02390	0.2
173.04564	3.0
178.02740	0.2
179.03560	0.2
191.05629	2.0
193.05026	1.7
209.04567	0.4
209.11916	0.2
226.06363	1.5
241.00296	0.4
241.08749	2.4
242.09167	0.2
367.10391	0.5
381.17908	0.3
437.05844	0.2
529.15692	0.6
691.21985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
57.43631	2.1
58.76470	2.0
59.01386	30.2
69.03447	2.6
71.01385	26.8
71.53946	2.6
79.95776	2.6
82.95421	31.1
83.01387	7.5
85.02954	13.1
87.00886	7.7
89.02454	10.4
93.03472	11.2
94.02979	8.3
95.01350	2.0
96.69634	2.2
96.96026	52.7
97.02943	2.5
98.95610	2.9
99.00871	2.8
101.02444	19.3
101.54430	2.4
101.57258	2.1
105.47344	2.7
106.06564	3.1
108.02177	8.4
108.04510	3.3
109.02984	4.4
111.00858	2.3
113.02457	17.2
114.57120	2.1
119.03506	5.0
121.03014	2.9
123.04514	7.9
125.02443	5.2
131.03520	6.2
133.02985	2.5
134.03777	3.5
135.04503	7.6
137.02490	3.2
138.09468	1.9
141.01936	2.4
143.03503	6.0
150.05632	3.6
157.02959	4.0
158.03706	3.0
160.04025	4.7
161.02435	6.6
161.04538	10.2
167.03445	3.4
173.04527	13.1
173.05937	3.8
179.03525	6.6
188.03505	2.5
190.05025	3.9
191.04021	3.7
191.05627	54.3
200.01152	16.6
203.03444	3.8
203.05586	7.1
208.74097	2.5
209.79869	2.4
210.12149	2.7
213.06760	4.5
217.05022	7.1
219.04617	2.4
228.00656	37.1
229.01425	48.6
230.01590	3.4
236.04779	3.3
237.05574	19.5
238.06099	3.4
239.11853	3.5
241.07285	2.7
243.02997	58.2
244.03275	3.7
245.06572	4.2
248.04796	3.2
249.05571	3.1
252.07947	4.8
253.05107	2.1
257.05667	13.6
263.03583	2.7
264.04224	5.5
265.05087	19.8
265.27643	2.1
266.05740	8.1
267.06567	12.3
267.11420	6.4
269.04477	2.6
269.08081	2.3
271.10974	2.7
279.06613	10.0
280.07339	19.4
281.05420	4.9
281.08212	35.2
281.11569	4.3
282.08777	15.8
283.06171	14.5
283.10913	10.1
284.07062	2.4
291.03088	2.7
292.03885	3.8
293.04678	9.1
295.06790	3.5
295.09827	29.5
296.07086	2.9
297.07739	5.4
297.11380	6.2
299.05661	3.7
300.05905	2.6
306.05252	9.1
307.06042	9.4
308.06976	16.2
309.07388	2.8
310.04370	2.5
311.10449	20.8
323.09424	40.7
324.06284	4.0
324.09692	3.5
325.07016	7.1
326.08008	13.5
334.04852	5.2
336.02661	3.8
337.08240	2.8
339.08755	12.0
341.10300	46.1
342.10617	5.3
349.07178	26.0
351.05109	7.5
352.05753	7.8
366.07413	6.0
367.08206	100.0
368.08447	11.9
383.11499	2.4
407.85391	2.2
409.09271	3.6
413.12448	6.8
439.10208	4.4
467.13351	3.8
469.18549	3.3
485.14737	3.3
511.12292	5.0
597.23560	9.4
598.23828	2.5
599.21570	13.5
631.24146	6.4
641.22455	28.9
642.23035	3.2
647.10175	3.9
647.19861	48.7
648.20026	10.6
659.23486	10.3
663.18445	3.6
673.25085	12.3
674.26093	3.4
691.18182	39.5
692.18616	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27864	2.9
59.01384	6.6
71.01371	3.3
71.54591	3.5
80.05064	11.5
85.02937	5.9
93.03471	9.9
93.83182	2.7
94.06612	3.4
96.96015	33.9
99.73330	2.6
101.02468	4.1
108.02187	5.7
108.04583	27.2
109.02985	5.4
110.06116	5.5
113.85753	2.8
120.04518	2.6
122.06120	17.8
124.40879	2.8
132.04559	6.4
134.06099	2.5
135.04507	2.8
138.05606	8.7
138.44229	3.0
148.03993	3.1
149.04819	4.2
150.05626	28.5
152.01190	5.3
153.01874	4.1
158.02518	2.7
160.04056	16.4
161.02441	4.5
162.05598	4.7
167.03456	4.0
173.04579	12.4
174.05605	3.0
176.03485	3.0
176.07208	3.7
179.03484	3.8
188.03511	8.2
190.05086	8.9
191.05595	34.0
213.10352	4.1
215.11800	3.3
218.04604	6.2
224.09428	6.1
231.11353	4.1
239.08385	4.8
239.11847	20.2
240.10318	6.4
241.09868	15.9
243.11427	6.0
245.09338	4.1
251.08278	4.3
252.09039	5.9
253.06197	10.2
253.09843	4.2
255.07697	4.8
255.11407	6.5
259.10742	6.6
263.10709	5.7
265.10016	3.5
267.07870	5.2
267.11340	11.7
268.08939	4.4
269.09421	5.0
271.10983	17.5
273.12424	8.5
281.05640	9.5
281.09183	5.7
283.10873	80.2
284.11194	6.7
293.09308	3.7
295.11005	5.3
296.08081	7.0
301.11938	14.7
309.08652	3.9
311.10400	95.0
312.10706	5.9
313.11966	3.4
323.13779	3.5
327.09863	7.8
337.08197	14.1
341.55667	2.7
355.09384	9.1
371.14407	2.8
387.12036	10.3
429.89279	2.9
537.22021	5.2
539.23285	3.3
555.22308	23.2
556.22668	4.9
567.22559	3.6
569.22882	3.0
579.22717	6.3
597.23560	57.1
598.23712	9.4
599.21490	67.7
600.21759	7.5
612.79443	2.8
615.24585	25.0
616.25214	6.1
623.21478	7.7
631.23932	21.6
632.24109	4.6
641.22534	100.0
641.32935	5.9
642.22797	22.1
659.13068	5.5
659.23621	70.2
660.23730	10.2
673.25366	22.9
674.25604	4.5
691.26654	37.8
692.26508	13.1
720.09503	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	691.311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94999	2.7
59.01382	9.2
61.98832	13.2
73.16233	3.3
77.02569	3.0
78.95908	18.7
93.03471	3.6
96.96010	5.4
98.74435	2.9
99.54943	2.9
152.99620	3.9
173.04543	3.8
191.05650	10.1
209.11848	100.0
210.12268	3.4
211.13411	5.0
227.12932	11.3
235.08127	3.4
253.09496	4.9
263.10825	4.9
269.60574	3.1
429.12207	4.2
445.20175	3.9
462.22415	3.3
549.52521	3.0
559.86127	4.0
637.31860	7.6
655.38568	4.2
688.18823	3.2
691.32654	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	691.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.1
59.01379	8.3
61.98819	5.7
67.01892	3.3
71.01383	12.1
71.53847	2.1
75.00877	6.7
78.95908	4.2
83.05016	3.1
85.02949	6.8
87.00885	5.9
89.02458	3.3
89.41485	1.7
93.03473	16.9
95.01440	2.7
96.96030	9.3
97.02945	1.9
101.02478	3.5
111.04520	2.4
113.02509	2.7
119.05052	2.3
127.04025	2.8
135.04578	2.3
161.02513	2.1
163.04041	2.8
171.10257	5.9
173.04610	10.0
178.81845	1.9
183.13858	2.6
191.05624	67.8
191.10764	4.2
192.05943	1.8
201.11343	2.2
204.39963	1.6
207.10223	5.1
209.11850	100.0
210.12157	6.1
211.13365	4.1
213.14998	6.4
215.07167	2.4
227.12912	12.8
229.08766	3.7
235.08292	5.6
253.09253	6.9
293.21243	13.8
300.60919	2.0
305.10220	2.2
329.12286	4.0
397.13226	4.6
415.14291	2.3
442.20020	2.1
445.21255	12.5
465.14188	2.0
479.10513	2.1
509.77505	1.9
594.23871	2.1
637.31812	2.6
655.32855	3.5
691.30493	14.9
692.31110	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	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92125	0.4
59.01389	2.8
59.85079	0.4
65.87794	0.4
69.89867	0.5
70.37043	0.4
71.01393	2.2
71.05155	1.1
71.11982	0.4
79.95766	0.7
80.02695	1.1
81.03481	1.1
83.05036	3.7
84.02189	0.7
85.02978	0.8
89.02467	1.6
93.03466	0.6
95.05088	0.5
95.95239	2.0
96.96021	7.5
101.02441	1.8
113.02441	1.2
115.08533	0.5
125.09743	0.7
127.11324	1.3
145.93690	0.5
147.30266	0.5
156.89366	0.5
161.04581	1.4
163.11314	3.1
165.12843	2.0
171.10275	2.1
191.05560	2.5
191.10861	1.1
201.11334	22.2
202.11676	1.3
209.11844	100.0
210.12190	7.0
227.12926	14.4
228.13327	0.9
235.08247	2.0
253.09323	7.5
273.66949	0.5
275.02344	1.3
283.02664	0.6
375.21915	0.7
393.22809	0.9
437.20129	0.8
445.07318	0.5
445.20743	2.0
452.89578	0.4
691.16809	1.1
691.37402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01378	6.3
60.41078	0.7
65.80550	0.7
67.01915	1.1
69.03461	0.7
69.18984	6.3
71.01395	7.1
71.04505	0.7
73.02940	0.8
80.02691	1.4
81.03458	1.5
83.01410	0.9
83.05016	5.1
85.02939	3.7
87.00883	2.2
89.02465	2.8
93.03478	5.3
95.05035	2.3
96.96022	1.8
97.06602	4.8
98.20691	1.3
99.00875	0.8
101.02457	3.8
111.04526	1.1
113.02453	2.4
125.09690	0.7
126.33359	0.7
131.94994	0.7
133.10275	1.0
140.09384	0.6
145.02997	0.8
145.05115	0.9
147.11766	0.8
149.78931	0.7
150.03253	1.0
151.11302	15.1
161.04599	1.1
163.11266	3.5
165.12846	2.7
169.12360	64.9
170.12726	3.3
171.10330	1.5
173.04547	4.7
179.03375	0.9
191.04068	0.7
191.05646	17.9
191.07376	1.1
195.10251	2.5
202.63132	0.7
209.11845	62.3
210.12126	4.3
211.13448	1.1
213.11319	8.4
227.12839	5.8
229.08640	0.8
230.25952	0.7
235.08284	1.2
253.09264	4.4
256.03342	1.2
283.02490	1.1
284.02991	1.3
285.03555	0.9
286.04062	0.9
293.21329	1.8
397.13657	1.1
431.19168	1.8
449.20264	5.3
508.37976	0.7
526.76563	0.7
573.68683	0.9
637.32153	1.6
641.31360	1.4
659.32928	100.0
660.33380	16.2
691.18427	1.0
691.36182	6.1
692.35236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45105	3.4
57.00031	3.9
57.15879	3.2
59.01400	3.6
61.98813	3.8
63.02760	3.3
71.34270	3.8
72.01707	3.1
74.12292	3.3
78.95914	49.5
81.03474	3.2
83.05032	7.7
83.58125	3.5
88.68365	4.1
96.96969	6.5
100.50735	3.4
106.79984	3.2
149.55624	3.5
152.99576	58.0
163.11307	4.1
171.00658	7.1
209.11845	100.0
227.03282	6.7
227.12907	13.9
229.08615	4.2
245.12679	3.9
253.21741	21.3
255.23114	7.4
279.23383	4.7
363.12296	7.4
364.65204	3.8
369.35080	4.0
409.66721	4.3
417.31308	5.0
437.16095	8.0
455.16852	93.4
456.17218	9.4
691.38330	65.2
692.38348	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	692.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20938	0.5
55.98622	0.5
58.02971	2.2
59.01119	0.7
59.01388	11.2
59.55521	0.5
60.29318	0.6
63.76086	0.5
71.01391	8.5
72.99268	0.8
73.02934	0.9
85.02942	2.7
87.00890	0.7
89.02452	7.0
89.28111	0.6
93.03465	0.7
100.07684	1.3
101.02444	5.1
113.02441	3.1
114.09269	4.2
119.03500	3.6
126.09293	4.2
128.07173	1.0
128.10841	1.0
128.36249	0.6
131.98102	0.6
133.02956	1.2
135.04541	0.5
142.08742	10.1
144.04565	7.9
156.10387	0.9
170.08231	2.2
172.09833	1.7
173.04529	1.1
179.05641	0.7
184.09761	2.1
188.09296	28.6
189.09618	1.0
191.05609	0.9
212.78180	0.6
215.05582	0.6
230.10353	1.6
306.09900	1.2
324.19894	0.6
350.14578	100.0
351.07172	2.3
351.14841	8.5
717.36475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.6
61.30406	0.5
61.98811	0.4
68.69728	0.4
68.70861	0.4
71.01386	1.8
71.55090	0.6
79.95744	7.8
80.96535	1.2
85.02951	1.2
87.00885	0.5
88.04049	1.1
90.86487	0.4
93.03485	2.8
94.98122	0.6
95.95244	9.9
96.96020	100.0
101.02477	0.6
109.02919	0.5
115.00371	0.4
116.92908	1.0
120.99668	0.6
122.97587	1.9
133.02934	0.7
134.03770	0.5
135.04495	1.3
137.02420	1.0
160.01729	0.9
161.02411	0.9
165.01944	0.9
173.04575	2.1
175.04012	1.0
177.01923	1.2
178.02670	0.5
179.03491	1.0
179.07050	0.9
180.04301	0.4
189.97258	0.4
191.05621	6.6
192.06090	0.6
193.05031	1.1
195.06662	1.0
210.88144	0.4
219.34950	0.4
222.05215	0.9
225.07739	0.9
237.11095	0.4
240.07901	0.8
255.10222	0.6
256.07312	0.5
267.06750	0.4
268.07437	2.3
279.06665	0.6
280.07437	0.8
283.09702	1.4
284.06876	0.7
285.04126	0.5
288.03146	1.0
295.06244	0.5
296.06943	1.5
299.09232	1.0
305.03339	5.0
308.06888	1.2
309.07687	1.9
311.09445	0.6
312.06561	2.1
322.08481	0.9
323.09244	3.2
324.06339	1.3
324.10086	1.6
327.08792	6.4
328.09177	0.9
338.11655	1.0
339.08728	9.3
339.12259	0.7
340.09094	0.9
342.11127	6.7
347.21063	0.4
354.11075	2.4
357.13474	8.2
358.13687	1.2
369.13449	6.8
370.13715	0.8
388.00394	0.4
392.59579	0.4
530.17126	0.5
649.32056	0.5
650.34045	2.6
675.32526	0.5
693.18555	28.5
694.18909	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	693.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
64.43759	0.2
66.64301	0.2
67.05878	0.2
67.37083	0.2
71.01383	0.3
79.95745	8.1
79.96217	0.4
80.96529	1.9
81.03454	0.2
85.02953	0.6
91.75186	0.2
93.03462	0.9
94.98094	0.7
95.01406	0.3
95.94605	0.5
95.95242	11.7
96.96021	100.0
108.02164	0.3
108.07110	0.2
109.02941	0.6
110.97593	0.6
111.04571	0.3
119.05035	0.6
122.97612	2.3
123.00876	0.4
135.04556	0.4
135.73987	0.2
136.01678	3.9
137.02481	1.8
149.02411	0.5
150.03262	0.8
151.00388	3.2
151.04019	3.4
152.01151	0.3
152.04652	0.3
160.05263	0.3
161.02420	0.3
162.03230	0.9
163.04059	1.1
165.01938	0.6
165.05588	0.6
166.02734	9.1
167.03372	0.7
173.04588	0.9
175.04019	0.4
177.01981	0.8
177.05605	0.5
178.02673	0.3
179.03468	0.4
180.04253	0.3
181.05077	7.7
182.05400	0.4
190.06369	0.3
191.05646	2.4
192.04221	0.3
192.05949	0.3
193.05019	0.5
195.06688	1.0
207.06558	0.4
209.11774	0.3
225.07591	0.4
229.55408	0.3
255.02997	0.6
258.02048	0.8
259.02768	0.3
275.02286	3.3
276.02609	0.4
283.02502	0.6
284.03394	0.5
285.04025	0.5
288.03140	0.7
305.03314	2.1
357.09811	0.9
372.12003	0.5
387.10504	1.4
387.14752	0.6
402.13083	0.4
417.15527	1.2
446.08377	0.5
447.08829	0.3
503.86813	0.3
530.93439	0.2
538.35022	0.2
693.18585	28.1
694.18896	5.6
711.97955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86740	5.6
57.11052	3.8
59.01384	22.8
60.35053	3.8
61.98830	14.3
65.37496	3.6
65.85574	3.9
67.01882	4.8
69.21732	38.4
71.01391	15.0
75.55087	3.5
78.95915	4.9
79.95737	4.3
85.02956	9.3
87.00895	5.2
89.02467	9.2
93.03482	22.6
96.96014	49.0
101.02473	11.9
113.02451	9.9
116.92882	4.0
119.04988	3.6
126.59003	3.6
131.19754	3.5
134.03706	7.5
135.04549	5.5
136.58817	4.1
161.04607	4.3
163.11340	5.5
171.10294	13.1
173.04585	19.2
179.05640	5.2
191.05632	54.9
195.13939	8.9
200.89867	3.8
207.10370	9.8
209.11836	70.2
210.12102	5.7
211.13422	100.0
212.13686	5.3
225.11301	6.2
227.12909	14.8
235.08308	7.3
253.09431	7.1
277.21817	13.2
295.22787	71.8
296.23251	9.8
397.13480	16.1
415.14536	16.8
425.13974	4.8
447.22409	12.1
448.92807	4.0
449.14545	14.0
655.38617	4.7
693.21655	6.6
693.32898	29.4
694.33435	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	693.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07706	1.1
55.41825	1.2
57.03448	2.9
59.01387	100.0
61.98844	12.9
69.03456	1.6
69.61324	4.6
69.61739	2.8
78.95914	7.6
79.05538	2.6
83.05016	3.0
95.14672	1.1
96.96004	2.1
100.60295	1.1
107.05038	3.3
109.06586	3.3
121.06596	1.9
123.08166	2.7
129.98994	1.0
133.03021	1.2
133.06581	1.8
143.08659	1.2
150.06882	4.2
152.99582	4.4
171.10237	2.6
187.14952	1.4
189.02528	1.1
191.05569	1.7
230.15851	1.2
231.13875	2.6
241.15965	1.6
263.10706	1.5
271.17142	1.7
281.19113	7.6
292.18280	3.0
307.20679	6.0
325.21741	47.0
326.21979	5.3
342.21921	7.1
343.22794	39.3
344.23013	3.4
361.10199	1.2
385.66788	1.1
385.84253	1.8
490.23343	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	693.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.3
59.01384	100.0
60.01724	0.8
61.98829	2.4
64.36572	0.5
67.39694	0.5
71.54183	0.6
78.95895	0.5
83.05029	2.8
96.96046	1.3
98.12114	0.5
107.43379	0.5
109.06619	0.7
112.27450	0.6
119.05061	0.9
134.03816	1.0
140.12039	0.5
160.84320	0.5
161.02507	0.5
162.83969	0.5
163.04030	0.7
167.26973	0.5
175.11339	0.6
191.05705	1.1
216.50655	0.5
237.07735	0.6
267.08774	0.8
295.20804	0.7
325.22119	0.7
332.21637	0.6
347.23938	0.8
365.24863	9.1
365.29089	0.6
366.25296	1.1
382.25259	1.6
383.25891	8.5
384.26349	1.3
391.26492	3.8
392.26959	0.6
409.27338	2.7
425.13861	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	695.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64357	0.6
55.01851	0.6
58.00610	0.9
59.01385	100.0
59.22793	0.6
60.01725	1.6
63.28484	0.6
65.99875	0.6
69.19626	0.5
69.40148	3.7
71.01391	21.8
71.01785	1.0
72.99339	0.6
73.02956	26.5
77.86244	0.6
79.95761	0.7
83.01402	7.4
85.02964	4.0
89.02448	8.9
93.03468	2.8
95.01421	0.8
95.95274	0.9
96.96024	9.2
97.02946	0.8
99.00907	0.6
99.04580	0.7
101.02451	26.5
101.03114	1.3
104.24881	0.6
113.02468	10.1
114.02828	0.6
116.16771	0.6
119.03532	4.7
122.97546	1.4
125.02469	1.2
131.03540	2.9
135.04581	1.3
137.02478	2.3
143.03528	3.4
149.04579	6.2
161.02480	0.9
161.04568	11.5
161.05927	1.0
165.01956	3.3
173.04649	1.2
179.03555	1.5
179.05794	0.8
180.04312	2.0
191.05624	8.2
195.06680	2.5
203.05740	1.7
210.05389	0.6
213.81912	0.6
221.06735	2.3
225.07713	1.6
259.24686	0.6
289.04053	2.0
303.14758	1.7
341.88403	0.7
353.08920	1.0
375.64554	0.6
406.79404	0.6
673.21106	0.8
695.20886	2.8
696.21313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70623	0.5
51.32387	0.6
51.45280	0.6
59.01385	100.0
60.01704	1.1
72.55384	0.6
78.95913	13.1
80.96523	1.2
96.95996	1.2
98.20008	2.4
98.20682	1.4
100.21214	0.5
118.12892	0.5
119.80849	0.6
134.38785	0.5
152.99561	0.7
153.85254	0.5
156.88225	0.6
178.99994	0.6
205.15982	1.2
228.03920	0.6
229.12561	0.6
279.23111	0.8
319.52884	0.6
361.64413	0.6
484.48428	0.7
555.75049	0.7
653.29340	0.7
695.31097	48.4
696.31488	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	695.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44081	0.5
55.01870	1.4
57.03452	1.1
58.00595	1.1
59.01385	39.4
65.69175	0.4
69.03435	0.5
71.01388	19.1
72.99299	1.1
73.02941	3.0
83.01389	2.4
85.02951	6.5
86.00106	0.6
87.00878	1.9
89.02458	9.1
91.82276	0.4
93.03481	0.9
94.13905	0.5
95.01378	1.3
96.96022	2.7
99.00884	1.4
101.01802	0.8
101.02451	10.7
102.02834	0.5
103.08360	0.4
111.00890	0.6
113.02462	5.1
118.99794	0.4
119.03512	2.8
124.62119	0.4
124.66579	0.5
146.78043	0.5
168.15154	0.5
173.04538	1.2
191.05698	2.5
260.43823	0.4
267.19626	0.8
285.20663	2.1
378.53574	0.5
401.25504	0.7
429.24869	3.1
435.69897	0.5
443.26590	0.5
447.26031	10.6
448.26285	1.2
471.26108	0.7
489.27148	4.7
490.27106	0.6
591.30579	1.3
592.30005	0.6
609.31396	2.2
651.32367	100.0
652.32678	18.2
652.43555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03441	0.8
58.00596	0.9
59.01386	40.0
69.77592	2.7
71.01389	20.9
72.99301	1.8
73.02938	3.5
73.88172	0.6
83.01371	2.6
85.02956	7.2
87.00867	1.9
89.02457	8.4
93.03465	1.7
93.71120	0.5
95.01403	1.5
96.96009	2.1
98.20648	0.8
99.00885	1.4
101.02454	10.8
111.00871	0.7
113.02454	6.0
119.03499	2.6
119.04993	0.6
120.63104	0.5
173.04552	1.2
191.05623	5.2
196.09637	0.5
205.31215	0.5
267.19507	0.6
281.20905	0.5
285.20810	2.0
365.63190	0.5
429.24930	3.3
447.20255	0.8
447.25974	9.1
448.26416	1.0
471.26105	1.4
489.26987	6.6
490.27368	0.9
591.29791	0.8
609.31042	2.0
651.32349	100.0
652.32611	17.3
660.86700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69580	0.4
55.01890	1.0
57.03430	0.8
58.00611	1.1
59.01387	35.3
61.98851	0.6
69.62574	3.2
71.01392	17.3
71.01786	0.9
72.73053	0.4
72.99321	0.9
73.02967	2.2
74.90121	0.5
80.72578	0.4
83.01389	2.6
85.02956	6.0
87.00867	1.5
89.02457	7.6
93.03432	1.1
95.01395	1.0
95.51428	0.4
96.96014	1.6
98.20665	0.7
99.00896	1.3
101.02457	10.6
111.00871	0.7
113.02467	5.2
119.03498	1.9
125.02457	0.8
134.29655	0.4
135.04584	0.5
173.04585	1.6
191.05603	3.3
285.20712	1.6
360.04285	0.5
374.90674	0.4
429.25027	3.0
447.26016	9.6
448.26117	1.0
457.05457	0.6
471.25769	1.3
476.09082	0.5
489.27081	7.9
491.72205	0.5
591.30066	1.3
609.31067	1.9
651.32367	100.0
652.32690	18.6
674.45856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.7
59.01387	5.3
59.13023	0.7
61.98846	1.0
69.03433	0.6
69.35201	3.0
69.35625	1.8
71.01388	6.1
72.99302	0.6
73.02953	6.7
75.00871	0.8
78.95938	1.1
81.03404	0.6
83.05070	0.9
85.02961	2.2
87.00887	0.9
89.02448	4.6
90.44650	0.6
97.06590	1.2
99.00885	1.0
101.02450	4.7
111.00897	1.2
113.01694	0.6
113.02411	3.6
119.03528	1.7
123.08134	1.6
125.06107	2.5
125.09711	4.9
127.11312	3.2
135.08154	1.1
135.38049	0.5
137.09732	4.4
137.70448	0.6
141.09198	1.1
143.10733	0.7
151.07637	1.5
152.99582	1.0
153.09218	2.5
155.10791	5.6
161.04526	1.7
163.07600	0.9
171.10286	22.0
172.10698	1.3
179.05591	2.3
181.08714	8.7
181.52908	0.5
199.09770	100.0
200.10106	4.8
201.11353	2.1
217.10895	1.7
235.08231	2.4
253.09306	10.8
255.23186	0.8
277.21744	58.1
278.22076	5.1
318.58878	0.6
336.47253	0.6
354.98065	0.7
415.31873	1.7
417.17688	4.5
423.54007	0.6
435.18701	24.4
436.19040	3.0
441.30200	5.2
442.30344	0.9
491.28937	0.7
511.37061	0.6
555.27747	0.7
678.39093	0.7
695.39996	11.4
696.40277	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	697.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.98830	3.8
63.02423	0.5
65.00333	1.8
70.64272	0.9
71.01396	0.7
78.95911	3.7
83.01400	0.9
85.02956	0.8
87.00887	0.5
93.03455	1.6
96.96020	3.0
100.72567	0.4
101.02477	0.4
107.01397	2.6
108.02171	0.6
109.02940	0.8
117.03474	0.8
119.05032	3.9
124.01649	0.9
134.03763	0.6
137.02477	0.6
145.02931	2.1
151.00401	4.9
152.01117	0.8
161.02414	1.6
162.02713	0.4
162.83972	0.4
163.04044	2.2
171.00620	2.2
171.10226	0.5
173.02444	0.6
173.04539	1.3
179.03642	0.4
183.04414	0.7
191.05627	6.2
191.07243	0.8
192.06020	0.4
192.40143	0.4
199.04025	0.5
201.01848	0.6
205.59624	0.4
209.11740	0.5
211.03990	0.5
223.04088	0.4
227.03432	0.7
236.04811	0.8
237.07578	1.2
247.04071	0.5
251.03346	0.7
255.02997	10.1
256.03583	1.5
263.03522	1.4
264.04272	6.6
265.05023	1.0
266.05765	0.9
267.03110	0.7
276.04172	0.6
279.02988	1.7
280.03799	0.4
281.04599	0.5
282.05090	0.4
283.02521	9.5
284.03040	1.7
285.04083	1.6
290.02100	1.0
291.03055	6.2
292.03662	2.4
293.04575	2.3
295.02472	2.2
307.02487	1.1
307.05975	1.0
308.03238	4.4
309.04016	3.1
315.06970	0.6
317.04623	0.5
319.02426	0.9
323.05618	1.9
324.02740	0.5
330.05084	0.5
331.06018	0.7
332.06851	0.5
335.02060	4.7
336.02130	0.5
343.06030	1.4
344.06705	0.8
359.05652	1.7
360.06555	1.3
371.05640	2.4
372.06448	2.5
373.07056	0.8
387.04956	2.5
388.05911	1.6
390.34528	0.5
399.05096	2.2
400.05624	2.5
401.06622	0.7
403.08157	1.4
416.05411	8.1
417.05417	0.9
418.07181	0.7
426.03873	1.6
427.04767	1.3
431.07779	7.5
432.08066	1.0
433.09232	5.7
434.09695	0.7
441.05969	1.1
443.04025	1.1
443.99182	0.9
444.04901	10.9
445.05267	0.9
459.07239	100.0
460.07584	11.6
505.16574	0.7
533.11115	1.0
551.11969	13.0
552.12427	2.8
697.15594	10.5
697.27631	0.6
698.15936	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	697.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23705	0.5
53.27634	0.5
55.87634	0.5
59.01386	1.0
61.98831	2.8
65.00332	2.7
65.27077	0.4
71.01388	0.7
78.91879	1.0
83.01420	1.0
84.06454	0.5
85.02944	0.7
93.03454	1.5
94.88589	0.5
95.01407	0.6
96.96033	2.2
98.01205	0.5
98.19873	1.1
107.01398	2.5
108.02187	1.2
109.02933	0.9
117.03448	1.0
119.05035	2.5
124.01703	1.7
125.02439	0.5
133.02979	1.1
135.04524	0.6
145.02945	3.2
151.00395	7.3
152.01067	1.1
161.02449	2.3
163.04047	1.9
165.01906	0.5
171.10274	0.7
173.04578	1.2
183.13792	0.6
191.05632	4.9
204.65422	0.5
211.13440	3.9
220.05174	0.7
223.03847	0.9
229.14453	1.3
235.03960	0.9
236.04669	1.0
237.05611	0.6
239.03470	0.7
248.04953	0.9
249.05507	0.6
249.08870	0.8
255.02982	1.6
263.03488	2.4
264.04260	8.7
265.04950	2.7
265.07605	1.5
266.05902	1.5
267.03171	0.9
267.06555	0.7
267.09106	3.6
277.05182	0.7
279.03006	1.5
283.02518	1.9
291.02991	8.2
292.03711	2.7
293.04703	3.3
294.05084	0.6
295.02344	2.5
296.02933	0.7
302.45688	0.5
307.02405	1.4
307.05939	1.1
308.03323	6.5
309.04111	3.4
317.04572	0.8
319.02316	1.3
323.05643	2.5
329.23355	13.3
333.04114	0.7
335.01974	5.5
342.05215	0.6
343.06204	1.3
359.05716	0.6
367.18378	0.9
370.04553	0.8
371.05563	1.9
372.06256	2.0
387.05090	1.0
398.04352	1.1
399.05115	2.9
400.05521	1.5
401.06699	0.6
416.05365	5.4
417.06070	1.2
418.06943	1.5
426.03769	1.6
427.04733	1.6
429.06174	1.8
431.08096	2.6
432.08044	1.2
433.09286	6.7
441.06332	1.0
444.04910	8.2
445.05350	1.0
459.07239	100.0
460.07648	12.6
461.22037	0.9
510.67850	0.5
533.10870	2.3
551.03485	0.8
551.11981	16.3
552.12500	1.7
653.24323	0.8
697.15704	12.6
697.28186	0.9
697.41998	6.0
698.15924	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	697.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.7
61.98843	2.5
63.02405	1.3
65.00330	0.8
69.52367	1.9
69.52793	1.6
85.02957	0.6
93.03442	1.5
96.96009	2.7
98.19943	0.5
107.01369	1.6
107.05040	0.5
112.98541	0.5
115.09611	0.4
117.03439	2.2
117.87637	0.5
119.05057	7.8
132.02223	1.3
133.02991	1.2
134.03769	5.7
137.02524	0.7
145.02997	3.9
151.00369	2.4
155.05051	0.6
159.04501	0.9
160.01685	4.9
161.02417	1.7
163.04024	6.3
169.02963	0.6
171.10248	1.0
173.04576	0.9
175.00476	0.6
175.03976	2.8
183.04538	2.2
187.03952	0.6
191.05627	2.7
193.05045	2.2
209.11832	1.6
211.03955	0.6
227.03506	1.8
237.07713	2.1
239.39052	0.5
253.31461	0.6
255.03006	100.0
256.03516	10.2
283.02509	98.9
284.03110	18.4
285.03885	3.4
295.02191	0.7
311.01862	0.7
341.06705	0.9
360.06253	1.6
371.05554	1.7
372.06415	2.2
387.04831	1.0
388.05899	1.5
400.05734	1.9
403.08179	1.6
413.12592	3.8
416.05450	1.8
431.07736	5.5
444.05005	2.8
459.07239	51.0
460.07571	5.3
505.11078	0.8
551.11737	0.6
573.03516	0.6
575.84106	0.7
622.77167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01721	1.1
61.98816	0.6
62.80498	0.2
69.95067	0.2
71.13785	0.6
89.02419	0.3
96.96017	0.8
98.20042	0.2
106.48109	0.3
121.02975	2.5
122.67125	0.3
125.66281	0.3
171.10297	1.7
181.90056	0.3
191.03571	0.9
191.05685	1.3
209.04488	1.6
226.52708	0.3
283.02597	0.3
289.18283	0.3
325.66113	0.3
398.74655	0.3
489.94815	0.3
584.20355	0.3
593.13336	1.0
606.44147	0.3
606.71393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83466	0.2
57.03465	0.4
59.01378	2.0
60.19469	0.2
60.99305	0.5
66.00131	0.2
67.01886	0.4
68.89993	0.2
69.03487	0.2
69.84422	0.2
69.88291	0.9
71.01376	1.3
73.02931	0.3
81.03462	0.3
83.01410	0.8
83.05051	0.3
85.02961	6.4
85.03473	0.4
87.00883	1.7
88.98823	1.2
89.02451	0.4
93.03473	5.0
94.03765	0.3
94.22788	0.2
95.03347	0.2
96.96027	2.9
98.20592	0.3
99.00920	0.3
99.04556	0.4
101.02454	0.6
108.02207	0.2
109.02953	0.6
111.00861	0.2
111.04552	1.1
113.02483	0.3
119.05050	0.5
125.02456	0.4
127.04009	1.6
132.02214	0.2
133.02982	1.5
134.03770	0.5
135.04536	4.3
137.02486	1.1
138.39340	0.2
139.03979	0.3
145.02950	0.4
152.01178	0.2
155.03587	0.4
155.10802	0.7
160.01814	0.2
161.02455	5.2
162.11563	0.2
163.04042	0.3
171.02997	0.7
173.04535	1.8
175.04024	0.3
179.03514	3.4
191.05632	100.0
192.05975	3.9
199.09732	0.3
237.07750	0.4
241.10814	0.2
301.09409	0.2
302.62201	0.2
343.14304	0.4
353.08795	12.0
354.09149	0.9
390.68777	0.2
394.95938	0.2
505.17328	2.0
506.17838	0.3
697.23499	8.7
698.24170	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	697.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.1
57.03440	1.4
59.01388	36.1
61.98837	30.2
65.00338	1.2
67.01891	2.3
71.01390	19.9
71.54308	1.2
72.99317	2.0
73.02956	4.0
78.35096	1.0
79.95763	1.2
80.96522	1.2
83.01406	3.6
85.02957	14.4
87.00883	3.8
88.98800	2.0
89.02460	10.9
93.03468	7.6
93.76814	1.0
95.01366	1.3
96.96022	10.1
101.02454	13.8
105.03506	2.8
108.02168	1.2
109.02930	1.9
111.04533	1.7
113.02467	5.3
119.03538	2.6
119.05074	2.0
129.01962	1.6
133.01437	1.3
133.02953	8.4
134.03796	1.6
135.04500	2.7
137.02446	1.7
144.09731	0.9
145.02992	1.4
151.00403	3.3
152.01129	1.8
155.03546	1.4
159.10156	1.1
161.02472	2.2
163.04063	1.1
167.03601	1.0
173.04584	7.9
177.01947	61.7
178.02325	2.7
191.05638	51.1
192.05971	5.2
209.11687	2.1
224.13055	1.1
255.02948	2.0
283.02512	1.9
284.03464	1.3
287.22214	1.3
425.33246	1.2
431.26245	3.9
449.27618	11.5
459.07510	5.5
473.27539	2.4
491.28687	3.1
593.31689	1.2
611.32513	2.4
653.33911	100.0
654.34088	16.7
697.15582	2.1
697.35382	10.8
698.35089	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	697.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.00594	1.6
58.69831	1.1
59.01387	39.4
59.51516	1.0
61.77488	0.9
61.98834	26.8
67.01891	1.1
71.01019	1.2
71.01390	23.2
71.55067	1.7
72.99309	2.6
73.02956	3.7
79.95708	1.3
83.01400	3.6
85.02972	12.3
87.00885	4.8
88.98779	1.7
89.02454	9.9
89.03981	1.2
93.03472	8.3
95.01385	1.3
96.96033	8.0
99.00896	1.9
101.02453	12.0
105.03468	3.2
107.01450	1.0
109.02953	2.3
111.04482	1.4
113.02466	7.5
119.03487	3.2
125.02419	1.2
127.04076	1.0
133.02965	6.6
135.04533	4.2
136.01639	1.0
137.02466	1.7
151.00410	1.8
151.03984	1.3
152.01178	1.2
153.01900	1.2
161.02481	1.3
161.04654	1.5
161.13657	1.0
163.04005	1.6
165.02132	1.0
165.86049	1.1
173.04568	8.2
173.05959	1.6
177.01949	57.2
178.02312	2.3
179.03535	1.2
184.40005	1.0
185.68767	1.0
191.05635	43.1
192.05992	4.1
209.11772	2.6
210.43750	1.0
227.10504	0.9
227.12943	0.9
233.04591	1.0
255.02928	2.7
283.02426	1.2
287.22311	2.8
353.02628	1.0
431.26428	3.9
435.23477	1.1
449.27536	11.9
450.27902	2.0
459.07227	3.9
473.27411	2.0
491.28781	5.8
593.31177	1.1
611.32507	2.8
653.33905	100.0
654.34320	19.1
697.14972	2.0
697.35034	8.3
698.33917	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	697.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40816	0.9
54.22353	0.9
54.49437	0.9
57.03463	1.2
58.00592	2.2
59.01386	39.0
61.98840	7.6
63.54628	0.9
70.54581	2.9
71.01384	18.5
72.99303	2.1
73.02954	4.3
79.95720	1.7
80.96542	1.6
83.01394	2.8
83.05011	0.9
84.40636	0.9
85.02959	10.0
87.00894	3.3
89.02460	9.9
93.03446	6.2
95.01446	1.1
96.96022	11.2
99.00893	1.2
101.02454	13.4
108.02174	2.1
108.92479	1.0
109.02966	2.7
111.04559	1.6
113.02460	7.1
116.40675	0.9
119.03498	3.3
125.02471	1.6
127.04044	2.2
133.02986	1.8
135.04532	5.2
137.02466	2.3
141.37305	0.9
143.03535	1.1
145.02983	1.3
151.00351	1.6
152.01147	2.0
153.01932	3.2
161.02434	1.2
163.04018	1.2
171.10281	2.4
172.20435	1.0
173.04581	6.2
177.02036	1.5
179.03421	1.2
191.05629	43.3
192.05952	2.5
209.11813	3.9
251.08963	1.1
287.22437	1.9
315.07083	2.5
339.07126	1.3
383.05988	2.0
431.26547	3.5
449.27612	10.9
473.27844	1.4
491.28583	6.5
611.33008	2.3
653.33929	100.0
654.34375	16.8
697.26923	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	697.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78822	0.3
57.03453	0.7
58.00605	1.1
59.01385	4.6
61.98835	0.5
64.63039	0.2
71.01385	4.2
71.54355	0.5
73.02938	1.5
83.01420	0.9
83.05011	0.3
85.02967	0.7
87.00877	0.9
87.04460	0.3
89.02461	2.7
92.98347	0.3
95.01365	0.3
95.44331	0.3
99.00891	0.6
101.02450	4.2
113.02451	2.4
119.03506	1.2
123.08122	0.4
125.02439	0.5
125.09748	3.9
127.11288	5.1
133.05072	0.3
137.09720	1.1
139.11298	0.7
143.03508	0.5
145.05106	0.7
153.09322	0.5
155.10762	1.8
161.04556	2.0
165.09236	2.3
171.10309	2.7
179.05663	0.8
183.10333	0.7
199.09796	2.4
200.10164	0.4
201.11336	100.0
202.11684	4.7
202.13458	0.4
209.11783	0.4
225.11258	0.5
235.08232	6.8
236.08501	0.3
253.09297	17.3
254.09648	0.9
277.21735	68.7
278.22104	6.6
311.22256	0.3
325.45737	0.4
405.17657	0.9
419.19418	0.7
433.33112	0.4
437.20200	1.6
438.20819	0.5
443.31735	2.5
461.33038	1.5
697.40393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45447	0.8
55.50900	1.0
69.21997	9.1
74.02863	1.2
81.03500	1.0
91.58022	0.9
97.02963	1.3
98.19846	1.9
105.03479	1.1
107.01382	1.5
121.02963	2.1
123.00851	1.1
125.02456	3.2
135.00882	2.0
136.01649	4.5
149.06071	1.3
150.03142	1.4
163.00378	3.1
164.01187	5.0
165.01930	1.2
166.02840	1.0
178.02718	3.3
184.36121	0.8
191.03613	1.2
193.01343	1.6
205.01624	0.9
206.02188	1.7
210.01689	1.2
213.05681	1.0
219.03032	2.2
283.06207	1.1
299.05624	1.9
313.07056	2.6
313.10626	0.9
314.07977	3.2
315.08804	1.4
329.10248	3.6
339.08850	1.5
342.07425	3.0
357.09824	84.3
358.10089	9.1
381.09659	1.5
387.10880	1.5
399.10895	2.3
477.14035	100.0
478.14413	14.0
519.14899	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	699.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.6
59.01388	32.4
61.98839	3.7
70.04359	5.8
71.01391	27.0
72.99312	1.5
73.02966	4.7
73.21574	1.2
73.26748	1.2
75.78525	1.2
77.53463	1.2
78.95929	3.4
82.32200	1.2
83.01452	2.3
85.02967	8.2
87.00890	4.4
89.02462	24.8
91.46850	1.2
93.03463	1.5
95.01396	2.8
96.96040	4.8
97.02958	4.9
99.00904	2.1
100.82252	1.2
101.02457	19.8
103.04079	1.2
113.02450	8.4
119.03503	7.2
121.03025	1.4
125.02470	9.6
143.03520	5.5
161.04579	4.9
167.20621	1.3
170.33081	1.4
171.10341	6.7
179.05647	3.9
180.22771	1.4
191.05658	3.8
209.11833	8.3
211.13402	7.0
235.08264	12.0
241.21761	77.0
242.22063	4.8
253.09236	2.5
256.69839	1.4
263.07608	1.6
279.23468	1.5
287.07678	3.8
305.08841	4.8
323.09814	1.6
397.13547	100.0
398.13895	9.3
415.14645	30.4
416.14865	2.1
456.45322	1.5
639.36145	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	700.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
59.01168	0.6
59.01394	6.7
61.98814	0.7
62.83773	0.6
69.17205	5.1
69.17630	2.5
69.82230	0.8
70.25965	0.6
71.01386	14.7
85.02999	0.9
87.00861	0.9
89.03957	1.1
93.03457	2.0
95.20683	0.8
96.96014	3.3
98.20678	1.4
99.04504	0.8
101.02489	1.2
101.12585	0.7
108.35091	0.8
109.34801	0.8
115.00372	4.7
117.03471	4.7
121.02984	1.1
123.04541	0.7
128.03485	0.9
132.02246	0.8
134.03757	53.1
135.04158	1.3
137.02440	1.6
149.06078	4.6
173.04556	2.7
178.02756	3.7
191.05641	6.5
191.99635	0.8
192.06055	0.9
193.05069	100.0
194.05411	5.5
225.11357	6.8
269.04550	4.8
297.03976	3.6
298.04965	5.0
309.06250	2.7
311.05725	1.5
312.06461	1.6
313.07138	7.7
475.12497	13.3
503.13925	0.8
542.29352	0.8
543.88715	0.8
612.44678	0.8
616.45593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	42.7
60.01717	0.7
68.28821	0.8
69.64472	4.2
78.76801	0.8
96.96018	1.4
125.22725	0.7
132.02194	4.0
133.02966	1.7
134.03758	2.3
135.04344	0.7
135.08186	0.9
147.04576	0.9
147.08156	2.2
161.02451	1.1
191.05629	3.5
193.05086	4.7
221.04422	0.8
225.11337	65.1
226.02632	3.5
226.11732	3.0
241.05161	1.4
254.02203	1.3
255.03009	2.0
268.03918	2.0
269.04578	38.1
270.05038	4.3
283.02509	1.5
283.06143	2.9
296.03363	0.9
297.04068	28.7
298.04816	30.2
299.05630	5.1
304.33096	0.7
311.05566	8.2
312.06348	10.9
313.07193	62.8
314.07703	4.9
327.05118	6.0
341.06891	0.9
460.09711	4.9
475.12491	100.0
476.12808	11.5
659.28778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43842	0.4
59.01384	100.0
137.48592	0.5
300.91556	0.5
301.70117	0.4
437.12509	0.8
438.13266	3.3
439.13608	0.8
451.14066	1.0
452.14905	2.0
453.15994	0.6
455.09949	0.6
467.13531	0.6
475.39862	0.5
480.14572	0.8
481.15219	31.4
482.15619	9.3
495.09518	0.6
495.16821	11.5
496.17212	2.8
497.18570	5.9
498.18488	1.1
514.15106	1.8
523.16113	0.5
525.14526	1.1
539.15790	2.2
540.16473	8.5
541.16986	1.8
553.17181	1.0
554.18097	2.7
555.18921	58.4
556.19098	15.2
567.19025	1.4
572.15521	14.3
573.15515	3.1
586.17157	6.2
587.17413	1.6
609.20129	1.5
627.21130	1.8
628.21246	0.6
641.13422	0.6
641.22607	26.3
642.22821	8.2
701.24713	61.1
702.24957	18.2
723.10303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98852	0.9
70.53232	1.0
71.53213	1.2
75.58216	1.0
78.95913	2.3
92.48248	0.9
101.02483	0.9
105.29588	0.8
121.02945	2.9
131.07547	1.0
141.91638	1.0
180.83838	1.0
186.88179	0.9
201.11324	5.3
202.11647	2.0
209.04521	1.8
209.11716	2.0
235.08157	1.0
246.41620	0.9
253.09314	1.8
255.23347	3.6
279.23312	5.8
280.23645	5.6
281.23795	1.7
285.10959	0.9
438.13623	4.7
439.13962	1.2
451.14371	1.3
452.14828	2.2
465.15973	1.1
480.14410	1.0
481.15219	40.2
482.15570	10.7
495.17035	10.2
496.17307	2.6
497.18866	4.4
498.18713	1.2
514.15002	2.3
523.16241	1.0
539.16058	3.1
540.16522	9.9
541.16626	2.6
553.17664	1.5
554.18146	2.2
555.18921	88.4
556.19153	18.0
567.18964	3.9
569.21014	1.8
572.15442	17.7
573.15625	3.9
586.17053	6.5
587.17462	1.6
600.18616	1.0
641.22644	38.0
642.22815	11.0
658.19299	1.3
701.24738	75.7
702.24902	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.9
59.01387	49.9
61.98841	3.4
64.67779	1.2
69.63153	8.3
71.01389	28.0
72.99298	1.4
73.02962	2.6
75.51032	1.3
83.01402	2.1
85.02954	5.3
88.98836	1.4
89.02451	24.8
93.03461	2.5
93.64027	1.3
94.92381	1.3
95.01404	2.4
96.96011	8.1
98.20648	2.0
101.02457	14.3
106.06638	5.6
109.02965	2.7
112.04065	2.1
113.02454	9.7
116.05077	6.0
119.03529	8.0
122.06128	5.2
123.03284	5.3
124.04049	3.0
132.04610	6.1
134.06140	73.8
135.06464	3.2
137.02472	1.4
138.05612	17.2
152.07185	7.2
158.02484	5.6
160.04047	23.9
164.07176	5.9
167.03508	1.5
172.04051	3.2
176.03517	1.3
190.05132	16.1
191.05655	7.5
192.06686	88.5
193.07011	4.4
200.07123	1.3
204.06664	4.9
209.11870	1.3
255.11349	3.9
266.07117	1.9
267.11411	2.1
279.11426	1.4
281.09421	3.8
292.08859	1.5
293.09390	1.5
307.10962	6.6
311.14133	4.2
313.11679	1.3
314.12662	6.1
337.12122	3.0
339.13556	26.1
340.13977	2.2
350.17847	1.5
365.78958	1.5
487.17294	21.8
488.17496	3.9
517.18518	7.2
519.19861	100.0
520.20337	9.5
548.40546	1.6
552.63519	1.7
565.69415	1.4
582.24255	2.9
608.22308	5.4
609.22583	2.3
626.23523	24.8
627.23236	4.3
640.25439	2.8
652.21307	2.3
658.26056	1.8
670.22620	29.7
671.23138	4.3
684.24585	7.6
685.24408	2.2
702.25287	38.2
703.25616	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	703.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06153	0.4
51.00500	0.5
57.03444	1.5
59.01387	5.8
61.98839	0.6
69.03452	2.6
70.76994	1.1
71.01382	5.2
71.05033	2.9
73.02948	1.1
73.89482	0.5
80.08308	0.6
81.03462	0.5
83.01405	0.7
83.05028	0.8
85.02960	1.8
86.99811	0.5
87.00883	1.4
89.02466	2.6
95.01389	0.9
95.05007	0.7
96.96027	2.5
97.02964	2.1
97.06599	2.5
99.00275	0.9
99.00896	12.2
101.02482	2.8
109.06567	1.0
110.03705	0.8
113.02435	1.4
119.03440	0.8
123.08167	2.0
125.09755	5.4
127.11328	0.6
136.05327	0.9
151.11252	1.3
153.12834	2.1
161.02419	0.5
161.09691	1.9
163.11288	7.7
169.12337	0.6
170.16806	0.6
171.10297	0.8
173.04442	0.5
179.03528	0.8
179.10744	3.6
179.23183	0.5
181.12354	9.7
185.56551	0.5
191.05629	3.5
197.11852	28.3
198.12173	1.9
199.04094	0.5
199.13400	7.4
207.10275	18.9
208.10643	1.0
209.11835	3.2
225.11346	26.1
225.13577	1.3
226.11772	1.7
241.10754	2.0
243.12393	12.7
244.12703	1.2
253.09315	1.2
449.75131	0.5
461.20282	1.0
477.19870	1.1
479.21497	3.4
480.22235	0.6
541.26678	1.4
659.32422	2.1
685.31219	3.2
686.31287	1.1
703.31866	100.0
704.19818	1.2
704.32153	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.9
69.21645	6.8
71.01396	6.5
73.02934	1.2
74.00590	0.8
80.02689	3.0
81.03471	3.7
82.79453	0.8
83.01421	1.5
83.05036	6.6
84.02166	1.1
85.02966	2.2
87.00872	1.3
89.02435	4.4
93.03468	1.2
95.05038	0.8
97.02963	5.0
97.06598	0.9
99.00874	1.2
101.02444	5.1
109.06604	24.8
109.07365	1.3
110.06942	1.0
113.02457	2.8
121.06651	1.3
125.09709	1.2
135.08171	3.6
142.02678	1.1
145.05031	1.0
161.09738	1.5
163.11311	18.6
165.12808	2.8
171.10294	1.0
179.05696	1.1
181.12408	5.1
185.11839	3.3
189.09227	1.4
191.05592	1.5
191.10942	1.1
197.12033	0.8
207.10277	61.4
208.10622	2.8
209.11841	100.0
210.12241	6.1
221.11734	1.0
225.11333	27.5
226.11671	1.6
227.12897	15.6
231.10333	1.1
235.08214	2.8
247.13350	1.4
249.11330	1.4
253.09280	10.4
265.14508	1.0
281.99878	0.8
299.14969	1.1
399.21747	6.1
405.17331	0.9
417.23062	5.0
443.19052	2.5
445.20895	0.9
461.20435	8.2
635.30737	12.9
636.31116	2.9
637.86597	0.8
653.31714	12.0
654.32324	2.2
671.32867	22.8
672.33154	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	703.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92042	48.3
54.56823	41.5
83.29894	44.5
103.50084	47.1
144.72253	45.1
159.98161	48.4
165.26311	45.1
171.10281	100.0
185.04482	42.1
209.11908	54.1
255.23119	81.3
256.23685	58.4
599.33875	55.1
645.46228	51.7
681.34882	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45569	33.0
63.30107	46.3
75.03068	38.9
91.01941	36.1
97.10241	36.3
122.45013	40.4
152.99605	40.5
171.10355	82.9
209.11923	56.5
255.23325	100.0
277.21808	60.9
522.70764	37.3
548.96204	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.5
60.01713	0.5
61.01808	0.3
61.98836	100.0
71.01437	0.1
78.95924	0.1
119.97585	0.1
158.32120	0.1
201.11372	0.2
209.11847	0.5
249.36960	0.1
277.21652	0.6
440.13644	0.1
441.13605	0.2
482.15430	0.3
482.78000	0.1
483.15213	0.7
484.15436	1.6
485.15964	0.2
497.16901	0.4
498.16840	0.5
499.18045	0.2
500.18692	0.4
542.16132	0.3
543.17047	0.4
555.19952	0.1
556.18951	0.5
557.18951	1.3
558.19220	3.6
559.19116	0.3
574.15808	0.3
575.16083	0.7
588.16870	0.2
589.17072	0.4
612.20282	0.1
613.21045	0.1
630.21136	0.1
643.22351	0.4
644.22913	2.0
644.32813	0.2
645.23212	0.2
703.24255	0.3
704.24817	5.7
705.24609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
70.73097	0.3
71.01404	0.2
78.95891	0.6
79.46326	0.1
79.95746	3.5
83.01421	0.1
85.02970	0.1
93.03423	0.1
94.98174	0.1
96.96022	100.0
97.95950	0.4
101.02434	0.2
108.02204	0.1
111.19704	0.1
173.04533	0.1
185.31747	0.1
191.05635	0.5
284.03238	0.7
299.05740	1.1
554.15717	0.1
593.17041	0.1
602.04425	0.1
607.16803	0.3
687.22333	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50885	1.1
57.03445	1.7
59.01386	100.0
60.01721	1.4
61.98830	3.2
69.19914	12.3
71.01389	31.2
73.02949	11.1
83.01389	3.2
85.02991	8.3
86.72453	1.2
87.00882	2.7
89.02469	14.1
92.70181	1.4
93.03506	1.7
95.01392	2.5
96.96020	4.6
99.00822	1.5
99.04527	1.8
101.02454	14.8
110.82187	1.3
113.02467	23.0
119.03548	6.1
125.02445	3.4
131.03513	2.2
143.03511	4.3
149.04561	2.2
156.54680	1.3
161.04568	11.1
179.03343	1.5
179.05630	5.4
191.05661	4.5
232.46227	1.7
299.05466	3.3
343.35229	1.4
439.46622	1.4
497.24072	6.0
498.24283	1.9
515.25000	19.2
516.25378	1.9
533.26007	3.9
557.26123	7.4
558.26385	2.4
575.26715	7.0
704.84314	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	705.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01385	100.0
60.01701	1.6
61.98834	1.2
62.11189	0.8
69.03467	1.4
70.49157	1.0
70.49500	2.4
71.01391	36.5
73.02955	35.8
75.00902	1.3
83.01398	10.5
85.02959	7.3
87.00867	1.4
89.02453	12.0
95.01382	2.3
96.96008	1.6
97.02940	1.5
101.02453	37.9
113.01735	1.4
113.02463	22.4
114.02784	0.9
119.03520	8.0
125.02453	3.1
128.35216	0.8
131.03514	5.5
137.02472	1.4
143.03482	4.7
149.04524	5.4
155.03506	1.9
161.02464	0.9
161.04564	11.3
167.03578	0.7
172.56442	0.9
179.05542	2.9
183.02765	0.8
191.05621	4.3
203.05646	1.2
221.06728	1.1
274.40039	0.8
322.01761	1.0
362.12323	0.9
401.47046	0.8
497.23938	1.0
513.09906	1.4
515.24982	3.9
557.26300	1.1
575.27338	1.1
608.30029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54063	5.7
51.36288	6.6
55.45768	5.4
58.46433	7.1
59.01377	19.7
60.99303	20.1
61.98833	74.8
69.16826	43.0
69.17230	16.2
70.03512	6.1
71.01385	38.4
85.02952	11.9
87.00877	11.8
88.98803	87.3
89.02453	25.3
93.03460	13.7
96.78268	6.5
96.96020	25.5
97.02964	8.7
101.02453	8.2
109.06608	21.2
114.94965	6.9
119.05045	7.2
122.42027	6.2
125.09690	9.9
145.02974	7.9
161.02516	7.7
163.11320	14.9
171.10295	16.8
173.04561	10.2
181.12384	10.3
181.83356	5.6
191.05673	44.5
197.11937	12.9
207.10301	60.1
209.11920	31.2
211.13397	10.1
225.11336	62.8
235.08023	6.4
243.12575	6.3
253.09439	8.4
270.03333	6.5
273.90958	6.0
317.04495	7.4
389.23279	22.7
461.20215	9.5
607.28693	6.4
625.30658	14.9
651.30078	53.3
669.31372	100.0
670.31256	9.9
705.28394	39.5
709.18982	8.0
712.44739	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	705.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94181	3.4
58.82073	3.1
59.01377	8.9
60.31000	3.0
61.98839	100.0
63.12360	3.2
71.01386	14.5
78.37337	3.6
78.95917	7.0
79.95729	3.8
80.96503	6.9
83.05032	4.0
87.00900	7.9
92.98785	4.7
93.03460	6.0
96.96018	16.6
124.55335	3.7
138.72942	3.4
163.11301	4.2
171.10237	8.8
173.04539	5.1
182.80681	3.3
191.05617	22.3
197.11856	11.3
201.11366	6.7
205.37764	4.5
207.10196	6.5
209.11842	45.8
223.13419	29.9
225.11348	9.6
225.64934	3.2
227.12889	14.4
247.02950	3.2
247.54982	3.3
253.09329	9.3
279.73547	3.2
340.89404	3.5
455.76163	3.3
459.22623	5.3
705.32599	26.8
706.32538	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	705.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71988	1.3
57.03451	3.0
58.00609	1.8
59.01384	10.7
69.03460	4.3
69.26848	12.0
71.01382	10.1
71.05018	2.4
73.02949	2.6
75.00824	1.2
79.01864	1.2
81.03459	1.9
83.05006	3.3
85.02953	4.7
87.00887	4.8
89.02451	5.9
93.03460	5.0
96.96027	11.7
97.02956	3.2
97.06623	1.5
99.00893	13.0
101.02448	7.9
109.06600	1.7
113.02438	4.2
119.03516	1.9
123.08180	1.5
125.09713	9.6
127.11280	3.8
135.04558	4.8
143.03502	1.5
151.11284	2.8
153.12834	2.1
154.10005	1.4
161.02492	2.0
161.09721	5.1
162.10144	1.6
163.11331	6.8
171.10304	3.4
173.04564	4.5
179.03508	2.3
179.05191	1.5
179.10793	8.7
181.12366	10.2
191.05635	7.8
197.11848	72.2
198.12195	4.2
199.09785	2.2
199.13411	6.8
201.11337	35.7
202.11630	1.5
207.10272	17.1
209.11847	39.2
210.12166	3.0
225.11349	28.4
226.11736	2.0
227.13010	3.4
241.10812	5.3
243.12373	15.5
253.09351	3.6
335.07745	1.7
382.51166	1.7
461.20709	1.8
479.21213	5.4
480.21429	1.3
543.20447	2.1
661.30884	24.1
662.31262	5.6
687.32367	72.2
688.32727	13.5
705.33429	100.0
706.33630	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55177	0.6
59.01372	2.1
71.01397	2.2
80.02687	0.8
81.03445	1.0
83.05050	4.1
85.02967	1.1
87.00877	0.8
89.02426	1.1
91.93967	0.7
96.96014	1.9
98.20629	2.2
101.02408	1.2
107.02850	0.8
113.02459	1.7
125.06103	1.2
161.04491	1.0
163.11299	3.6
165.12871	2.0
169.12360	1.2
171.10318	1.9
191.05646	2.1
209.11841	100.0
210.12189	6.3
225.11401	0.8
227.12921	12.6
228.13240	1.0
235.08295	1.9
253.09323	4.9
285.92755	0.7
340.98941	0.7
389.50763	0.8
445.20560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	26.1
61.98843	10.5
67.95610	7.5
71.00603	18.2
78.95915	100.0
82.47108	9.3
83.17225	8.0
84.94657	7.9
92.33131	7.4
96.96961	9.2
118.85971	9.3
152.99594	73.9
171.10335	12.3
178.39980	7.8
197.11836	50.4
223.09610	9.8
241.10875	22.7
255.23177	10.6
266.26608	8.1
277.21771	23.7
279.23456	12.6
315.61157	8.5
451.13916	20.5
469.15060	41.8
496.52536	9.6
705.36407	59.1
706.37134	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	705.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49633	8.9
59.01387	17.2
59.07418	10.6
61.98837	11.3
66.91429	10.1
71.53342	18.5
78.95912	100.0
79.44878	9.3
88.35773	10.6
96.96967	11.5
101.02460	9.9
148.07063	10.2
150.61098	9.2
152.99620	87.6
167.36340	10.6
184.33069	10.6
197.11821	52.2
211.13481	10.1
241.10796	34.9
257.39352	10.7
277.21677	16.7
306.70721	12.6
325.50870	12.0
338.29874	10.2
395.97855	11.4
451.14465	14.2
469.14743	29.5
705.35699	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.97103	0.1
67.01871	0.2
69.03469	0.2
70.50239	0.3
70.50570	0.3
71.01382	0.9
71.20550	0.1
73.02942	0.2
79.95739	0.2
81.03453	0.3
85.02960	5.7
87.00886	1.3
93.03465	2.2
96.96020	1.0
99.04515	0.3
109.02962	0.5
111.04550	0.9
127.04018	1.4
128.03561	0.5
133.02968	0.7
135.04518	0.9
155.03526	0.4
161.02469	1.9
162.02762	0.2
171.02983	0.4
173.04552	1.2
179.03534	1.1
180.56145	0.2
191.05629	100.0
192.05991	3.6
199.10876	1.0
210.12880	0.2
240.72520	0.2
241.70898	0.2
243.09831	0.2
351.07303	0.3
353.08804	12.6
354.09128	1.2
391.03851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68712	1.3
58.00602	1.4
59.01385	98.8
61.98816	3.5
63.46457	1.4
65.56980	1.2
67.01897	3.4
69.03423	1.7
69.44340	8.8
71.01389	41.2
72.99301	2.4
73.02948	9.4
79.95746	5.6
83.01402	4.9
83.79848	1.2
85.02958	19.0
87.00882	6.1
87.72649	1.2
89.02464	15.3
93.03479	12.3
95.01403	3.9
95.95235	4.4
95.99937	1.3
96.96021	100.0
97.02969	3.0
98.19838	2.6
99.00894	2.9
101.02455	16.2
102.05589	1.5
109.02995	3.4
111.00912	3.4
111.04511	2.3
113.02457	24.0
119.03535	4.6
122.97541	1.5
124.01683	2.9
125.02463	7.6
128.03566	2.2
133.02925	2.5
135.04532	7.9
136.01694	2.0
137.02466	4.8
139.04033	1.5
141.80876	1.4
143.03479	5.3
145.02925	1.5
149.02356	1.5
151.00340	1.6
151.04012	3.0
155.03491	4.9
161.02458	3.8
161.04587	3.6
163.03909	1.9
171.10295	13.9
173.04581	19.3
175.03989	4.0
177.01901	3.3
179.03505	5.8
179.05559	2.2
190.06393	2.8
191.05606	28.6
193.04988	2.3
201.11375	10.2
205.08858	1.7
209.11832	16.3
225.11320	6.5
227.12859	2.8
253.09262	3.4
285.43979	1.7
293.21115	1.9
294.00458	1.4
297.07773	4.0
305.03415	3.1
312.10013	5.5
322.49130	1.4
327.08694	4.2
327.12384	3.3
329.23172	1.8
357.13696	3.4
373.22314	2.5
401.12625	3.9
457.85211	1.6
481.24335	3.7
491.28735	2.9
499.25595	16.0
517.26569	61.0
518.26917	6.3
533.29712	15.0
534.29889	1.8
535.27728	21.5
536.27905	3.5
559.27429	6.9
577.28839	16.1
581.80426	1.7
610.82819	1.6
664.35651	1.9
665.38092	1.9
705.55829	1.5
707.16046	13.3
707.35223	17.8
708.16034	3.2
708.35309	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13956	3.7
55.55067	2.8
57.05533	3.7
59.01390	16.9
61.98820	4.5
69.15714	35.2
71.01400	10.2
78.95917	12.5
80.96529	15.1
83.05054	4.1
83.39204	3.3
85.02957	7.3
87.00906	4.0
88.98814	16.0
89.02431	6.9
93.03488	5.3
96.96023	13.5
99.00912	4.9
101.02466	7.4
109.06594	10.7
113.02468	4.6
134.03708	4.4
163.11334	5.8
171.10216	3.4
173.04582	11.6
177.01877	3.3
181.12372	5.9
182.98306	3.5
191.05666	21.1
207.10236	28.0
208.10744	4.1
209.11845	100.0
210.12192	8.7
225.11366	52.1
227.12877	32.4
228.13388	4.0
240.77371	3.3
243.12407	6.3
253.09297	8.9
253.58931	3.9
309.20770	3.7
396.74625	3.6
449.14767	5.4
461.20245	18.2
462.20584	5.2
521.16010	3.3
604.24451	8.1
607.25439	4.1
635.30890	9.2
653.31848	26.1
654.30463	3.9
663.37158	4.5
671.32721	29.0
707.30292	62.1
708.30774	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	707.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.3
59.30278	6.5
61.96955	6.6
61.98840	78.7
69.81796	6.8
71.01393	37.2
72.01777	6.6
80.04253	7.0
83.05018	11.9
85.02950	13.2
88.98795	7.4
89.02452	8.9
93.03487	33.3
96.96041	31.9
98.19959	19.2
101.02442	9.3
109.06614	15.6
111.00834	6.4
111.12451	6.6
133.02940	11.5
134.03723	19.0
135.04495	26.7
163.11267	19.3
171.10222	15.9
173.04588	47.2
187.07623	20.7
191.05661	70.1
192.05838	9.2
198.22408	8.2
201.11305	9.6
206.08875	7.7
207.10262	59.9
209.11838	100.0
215.07111	9.3
225.11336	49.3
227.12755	22.9
231.10239	20.3
253.09236	18.5
257.08148	16.2
275.09326	51.2
399.21707	8.6
449.14548	25.0
461.20038	11.5
509.18353	13.9
539.64471	8.1
635.30878	33.1
653.32080	37.7
654.32660	8.8
655.27692	7.1
669.31830	8.6
671.32263	38.6
672.33850	8.2
707.30902	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95188	0.5
55.01896	0.6
57.03455	1.0
59.01387	100.0
60.01726	1.3
61.98829	0.9
69.03456	0.6
69.46666	3.9
69.60566	0.6
71.01392	8.8
72.00916	1.3
72.99326	0.6
73.02953	3.7
74.02481	3.4
74.99108	2.0
79.95763	1.6
82.02988	6.0
83.01398	2.4
84.04562	4.4
85.02957	5.8
86.02511	1.6
87.00916	1.1
89.02473	1.7
93.03478	1.8
96.96023	37.6
97.02941	0.7
98.02493	0.6
99.00900	1.7
101.02457	11.1
102.39906	0.6
109.02981	0.5
111.00893	1.1
111.53146	0.6
112.07700	1.0
113.02467	4.1
114.05595	0.8
124.07736	1.6
127.05161	2.6
128.03555	39.9
129.03914	0.9
135.04550	0.7
136.29378	0.5
136.99152	1.4
143.03505	0.6
151.07730	0.8
153.09183	2.1
153.10336	1.0
155.11960	6.8
156.12280	0.7
159.03004	1.3
161.04576	4.6
173.04533	1.7
181.09846	11.3
186.69829	0.6
191.05643	7.5
199.10898	81.5
200.11287	4.0
204.41522	0.6
205.12292	1.6
211.07605	0.6
223.13429	1.4
225.08910	1.1
235.11896	17.2
236.12154	0.8
243.09866	38.9
244.10258	2.2
277.12958	10.8
284.32413	0.7
301.10800	0.6
385.18619	1.1
476.34427	0.6
496.75604	0.6
515.10553	0.7
592.26440	1.4
707.32660	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	707.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24826	1.0
55.01870	1.1
57.03454	1.5
58.00590	1.3
59.01389	15.5
67.01884	1.1
69.03457	1.8
71.01388	12.9
71.05031	2.9
71.54842	1.6
73.02949	3.2
78.95924	1.1
79.95751	4.3
81.03482	2.0
83.05038	2.7
84.02171	1.0
85.02960	4.1
87.00877	4.2
89.00426	0.9
89.02462	6.1
93.03469	7.1
94.03812	1.2
95.01414	1.5
95.95236	3.5
96.96023	100.0
97.02947	2.9
97.06583	2.4
98.95609	1.1
99.00888	16.8
101.02454	6.9
109.02948	1.9
109.06617	1.7
111.04499	1.2
113.02466	5.9
114.17183	0.9
119.03568	1.9
119.05043	2.6
125.09743	8.9
127.11290	1.7
133.02966	1.8
135.04506	1.9
135.08223	1.2
137.02455	2.0
146.91882	1.0
151.03984	2.0
155.10776	1.5
161.02438	1.7
161.04547	2.5
163.03935	1.1
163.11305	9.9
165.12892	1.2
171.10291	11.8
173.04550	10.8
175.04010	2.6
179.03493	2.3
181.12354	15.6
187.07619	1.2
190.06372	2.3
191.05649	17.1
192.05943	2.0
193.05023	1.1
199.09798	1.0
199.13451	12.1
201.11328	28.1
202.11636	1.0
207.08379	1.9
207.10280	27.5
208.10773	1.1
209.11842	26.7
210.12202	1.3
221.25774	1.2
225.11330	37.5
226.11719	4.6
227.12888	5.1
243.12366	19.9
244.12881	1.3
253.04979	1.2
253.09291	4.5
277.03885	1.0
282.05307	1.4
285.04007	9.3
286.04303	1.7
297.07724	2.3
305.03531	1.5
305.10153	1.6
312.10037	2.4
327.08734	2.4
327.12286	2.1
344.19186	1.1
357.13220	2.4
401.12628	1.4
461.20154	2.2
479.21490	7.1
517.27142	1.7
533.29791	1.3
535.27844	1.2
663.32495	31.6
664.32281	6.9
671.32880	2.0
689.33899	57.4
690.34247	10.9
707.16522	8.0
707.34967	25.0
708.16711	1.4
708.34973	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	707.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72851	1.1
57.03455	3.3
58.00606	1.9
59.01383	13.1
61.98845	1.5
67.01886	2.1
67.14002	1.0
68.99843	1.2
69.03465	1.2
71.01389	59.9
73.02949	3.6
79.21889	1.0
80.02681	1.2
81.03471	3.2
83.01431	1.7
83.05013	6.9
85.02972	4.9
87.00879	3.5
89.02460	5.5
93.03471	12.6
96.96022	20.7
97.02998	2.5
97.06589	1.7
98.20783	2.3
99.00887	1.5
99.04528	3.0
101.02451	7.6
109.06611	4.7
111.04515	2.5
113.02470	1.8
119.03512	1.5
121.02987	2.7
125.02431	1.7
125.09706	3.4
127.11319	2.6
128.03564	1.4
134.03824	1.6
135.04538	5.9
137.02444	4.9
143.03459	1.5
155.03503	2.5
161.02487	6.2
161.04535	2.0
163.11304	8.6
165.12883	2.9
171.10284	59.7
172.10629	2.7
173.04578	21.6
178.02687	1.7
179.03487	6.6
181.12376	4.5
185.11916	2.6
191.05646	22.9
191.10632	1.3
192.05939	1.6
193.05064	1.9
199.09760	5.3
199.13364	2.7
201.11333	33.8
202.11714	1.6
207.10255	17.5
209.11835	100.0
210.12234	5.8
215.12979	1.2
225.11368	21.2
227.07196	1.7
227.12898	12.9
228.13379	1.3
229.24800	1.5
235.08279	5.0
243.12439	1.7
253.09335	13.4
285.04028	1.4
335.07782	9.4
449.14340	2.0
461.20129	3.9
545.22839	5.5
545.29767	1.9
561.99713	1.3
635.30927	2.7
653.32104	5.5
671.33234	4.0
689.33594	3.5
707.17120	1.5
707.35510	12.1
708.36072	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	708.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03448	1.4
59.01386	17.1
61.98804	0.6
62.69098	0.6
67.01890	0.8
71.01392	8.6
71.55170	1.0
72.99335	1.1
73.02946	2.4
74.02476	1.2
79.95739	5.0
83.01386	2.1
84.04555	1.2
85.02951	4.5
87.00882	2.6
89.02447	1.1
93.03462	8.2
95.01479	0.7
95.95234	8.3
96.96018	40.8
97.02961	1.0
99.00875	0.8
99.04513	0.8
101.02467	4.7
102.05618	29.5
108.02187	1.7
109.02950	0.9
111.00868	1.0
111.04523	1.3
112.01653	0.6
113.02465	2.4
119.05035	5.6
120.05363	2.1
122.97577	1.1
123.04509	1.0
124.01713	0.9
125.02478	1.3
128.03552	46.8
129.03870	1.5
133.02965	0.9
135.04538	4.0
136.27815	0.6
137.02452	1.4
139.00374	0.9
139.04015	0.7
145.03009	0.8
146.03593	0.9
146.04625	8.0
151.03973	0.7
152.01152	3.0
155.03517	1.1
156.94560	0.6
161.02455	2.2
162.03163	0.6
163.04044	4.1
164.04388	1.4
167.03506	5.9
171.10283	1.5
173.04555	9.6
173.05913	1.2
175.04030	0.8
176.04739	1.1
177.01900	2.0
179.03499	5.9
179.07146	0.7
180.04051	0.9
191.03967	0.5
191.05632	12.6
191.07362	0.7
192.05939	1.0
193.05077	1.3
194.05836	1.7
201.11296	1.1
209.08195	1.3
209.11839	2.7
212.16521	0.9
223.09685	0.7
223.21480	0.7
241.05305	0.7
258.02118	0.9
275.02405	1.2
299.05417	0.7
313.23810	2.5
329.23419	1.3
331.24945	8.3
332.25342	0.9
358.10403	1.3
366.83380	0.7
372.12061	0.8
373.12869	2.3
373.25967	0.8
378.34543	0.6
401.12375	0.9
402.12909	0.9
416.29877	0.9
433.15115	3.5
457.28082	0.8
475.29099	6.2
476.29315	1.4
493.30203	11.5
494.30429	1.9
535.18140	2.3
535.31268	17.8
536.31396	1.7
578.35175	2.2
579.35504	0.7
620.37024	1.0
622.34326	1.8
646.34216	5.1
647.34424	0.9
664.35522	100.0
665.35797	21.2
708.25555	1.1
708.41449	0.7
709.17572	17.5
709.35114	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	709.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
67.01881	1.8
71.01395	2.1
71.13892	1.3
73.02980	0.8
85.02959	12.1
87.00889	4.8
93.03470	14.8
95.05026	1.3
96.96024	7.7
97.66915	0.8
98.95606	2.6
105.03483	4.1
109.02966	2.4
111.04538	2.2
114.28891	0.7
121.02952	0.9
123.04555	1.4
127.04024	2.8
128.75017	0.7
132.02151	1.9
133.02972	29.3
134.03716	1.3
135.04543	17.5
136.04861	1.0
137.02429	1.9
139.04048	1.4
145.08650	0.9
149.02487	1.2
150.03236	2.3
155.03516	1.0
159.55070	0.7
160.01692	1.5
161.02470	5.4
162.03259	2.9
163.04042	1.2
165.05597	1.2
171.03047	1.5
171.23917	0.7
173.04552	8.1
177.01933	11.6
177.05531	1.8
178.02689	2.8
179.03522	10.2
180.04285	10.4
181.04919	1.2
191.05627	100.0
192.05960	3.7
193.05055	4.1
195.06624	10.1
196.06857	1.0
211.07643	1.1
215.05519	5.3
261.18439	0.7
307.08389	0.8
307.13977	1.0
321.06238	0.9
323.07657	1.7
351.00760	1.1
351.07260	19.2
352.07553	1.9
353.08978	1.5
357.11734	2.5
362.16541	0.9
367.08282	1.3
395.09366	1.1
487.12057	1.8
499.12894	4.4
517.13483	13.7
518.13806	2.4
535.14178	1.0
547.14423	4.0
578.60376	0.8
691.18530	1.2
709.19824	28.7
709.32159	1.4
710.20349	5.9
736.71564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52686	0.3
57.03469	0.4
57.69271	0.3
59.01389	3.1
60.40437	0.3
60.99327	0.6
67.01896	2.0
67.08028	0.3
69.03497	0.3
69.16232	3.2
71.01389	2.4
71.73742	0.3
73.02974	0.9
73.29300	0.3
81.03489	0.4
82.98052	0.3
83.05033	0.5
85.02958	7.3
87.00890	3.0
89.02441	0.4
93.03467	17.6
94.03797	0.5
95.01414	0.3
96.96025	4.1
99.04528	0.5
101.02468	1.0
102.05638	1.2
108.02223	0.5
109.03017	0.5
111.00959	0.6
111.04527	2.3
113.02470	0.7
127.04011	1.4
128.03549	1.9
133.02968	3.2
134.03722	0.5
135.04535	10.8
136.04897	0.7
137.02464	5.7
144.10567	0.3
147.04565	0.3
152.01166	0.4
155.03491	2.4
156.03877	0.3
161.02466	8.4
162.02779	0.4
163.03966	0.3
167.03540	0.5
171.03033	0.4
173.04567	17.3
174.04968	0.7
177.01866	0.7
179.03517	9.9
180.03728	0.5
191.05629	100.0
192.04329	0.5
192.05951	4.4
193.04909	0.4
201.11362	3.3
207.06572	0.9
209.11832	6.1
210.12144	0.4
211.13414	0.9
223.06146	0.8
227.12920	0.8
251.63599	0.3
253.09210	0.9
331.25055	0.3
335.07745	6.4
336.07904	0.7
353.08786	14.0
354.09033	0.8
373.26035	0.5
385.13837	0.4
385.18726	7.6
386.19098	0.9
433.86780	0.3
446.25052	0.4
476.29770	0.5
493.30072	0.4
494.30566	0.5
497.12720	1.0
517.20813	2.5
518.20874	0.4
535.22247	0.6
535.30988	2.2
536.31439	0.7
547.21631	1.0
647.34955	0.4
664.35663	0.5
665.35809	4.7
709.26758	11.7
709.36877	2.0
710.27289	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	709.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74094	1.7
55.29950	1.5
59.01372	5.5
60.10367	1.8
61.98832	2.1
70.54541	2.6
70.54881	3.5
71.01376	3.2
72.99247	1.9
75.18732	1.6
78.95908	2.1
83.05048	2.3
85.02952	2.8
88.98796	2.5
89.02469	2.2
93.03471	5.4
96.96014	6.6
101.02446	1.8
113.02477	2.0
119.05034	6.9
135.04588	2.0
163.03987	7.4
163.11208	2.5
171.10300	13.9
173.04568	3.1
181.03639	1.8
191.05652	20.2
207.10231	3.2
209.11845	100.0
210.12082	8.5
217.87633	2.0
227.12900	21.6
228.13031	2.6
230.30907	1.9
235.08189	3.7
253.09189	6.7
311.22357	2.9
445.20547	7.4
620.68219	1.8
691.29626	2.9
709.31879	17.9
710.31476	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	709.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	58.7
61.98832	52.6
68.16699	8.4
69.21394	41.7
69.21824	42.0
71.01393	26.8
73.44561	8.6
78.95934	14.0
78.98637	12.2
79.95763	18.4
80.96529	52.2
85.02991	15.3
93.03466	16.9
94.95190	8.3
94.98106	16.1
96.96032	46.0
98.70148	8.9
101.02433	9.9
120.52802	9.2
171.10356	15.5
173.04602	14.0
191.05632	25.8
199.09749	15.1
201.11295	14.4
207.10277	14.0
209.11824	100.0
211.13402	27.8
225.00722	14.5
225.11252	17.8
248.59555	9.7
253.09325	20.4
270.43903	8.8
445.20636	13.2
461.20346	12.8
587.22180	14.9
611.30939	13.2
622.18292	27.9
629.30847	15.4
641.22388	65.1
642.22675	21.4
673.25189	32.4
709.23401	19.3
709.34442	63.7
710.34607	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
59.01386	100.0
60.35006	0.8
62.97213	0.9
67.01884	1.3
71.01388	10.6
71.54629	1.0
72.99313	1.0
73.02953	4.3
80.66036	0.8
83.01392	2.1
85.02956	9.8
87.00872	2.7
89.02458	2.8
93.03455	8.3
96.96017	17.6
98.95580	0.9
99.00885	2.3
101.02457	9.5
105.03452	2.1
109.02915	1.1
111.04521	1.5
113.02446	4.6
116.92835	1.1
119.05035	5.1
125.02466	0.8
127.04012	2.3
128.03514	4.0
133.02965	12.8
134.03694	1.9
135.04536	9.5
137.02473	1.6
143.03490	1.0
147.04356	0.7
150.03236	1.1
151.03992	1.3
159.02980	1.0
161.02432	3.2
161.04564	3.8
162.03180	1.3
163.04034	5.4
173.04556	5.1
177.01895	3.8
178.02690	1.3
179.03506	4.2
180.04303	4.7
191.05624	47.7
192.05965	2.1
193.04982	5.8
195.06641	5.5
199.10980	4.1
200.11215	1.5
200.56137	0.9
201.11467	0.9
204.28888	0.8
215.05627	2.3
226.06328	3.6
235.11887	18.3
241.08775	6.5
242.42661	0.8
243.09914	1.4
277.12875	10.1
297.44293	0.8
351.07178	8.4
353.08878	1.4
357.11823	1.1
387.16550	5.3
500.46921	0.9
506.24515	0.9
517.13440	6.0
547.14563	1.8
709.19843	12.8
710.19989	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	709.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46608	1.0
61.98821	2.1
62.08422	1.1
63.96254	1.9
69.03474	1.2
69.80910	5.8
71.01394	7.0
73.02933	2.5
78.98618	7.3
78.98982	1.2
79.95742	12.7
80.96529	70.4
85.02962	2.6
87.00881	1.8
93.36310	1.1
93.36909	1.0
94.98094	17.3
101.02431	1.9
101.78703	1.1
106.98071	3.4
122.97570	4.3
125.02448	4.0
125.22251	1.4
127.04048	1.2
134.97600	4.0
136.35252	1.1
136.99136	1.7
146.42670	1.0
148.99156	7.5
152.98621	6.6
164.98642	10.8
206.99728	2.6
208.05717	1.2
210.82352	1.1
225.00748	18.6
230.53354	1.1
255.23192	2.3
279.23318	4.0
285.24002	1.2
286.66605	1.2
314.60898	1.1
395.93652	1.0
453.14612	3.1
496.77658	1.0
537.27332	1.6
709.38391	100.0
710.26343	1.2
710.38757	20.1
720.76544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95174	0.5
59.01381	1.0
63.96237	1.7
69.03458	1.0
69.50704	0.6
71.01387	7.9
71.17142	0.5
71.34241	0.8
71.34560	0.7
73.02953	1.4
78.95902	0.7
78.98603	6.5
79.95747	13.1
80.96525	76.1
81.03465	0.9
85.02956	2.3
87.00870	3.3
93.97278	0.5
94.98099	16.6
96.96008	1.1
97.02966	1.3
99.49476	0.6
101.02431	2.1
106.98091	3.1
111.12125	0.6
113.02491	0.6
122.97608	3.8
125.02435	3.2
127.04016	1.0
134.97586	6.0
136.99164	1.9
146.97621	0.8
148.99197	5.2
152.98639	6.0
164.98643	11.7
171.10252	2.0
188.83160	0.7
206.99683	3.0
225.00771	17.1
226.01173	0.9
255.23335	1.3
255.44264	0.6
279.23392	1.3
308.12112	0.6
453.14224	3.2
537.27094	1.7
709.38397	100.0
710.38776	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3938
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
50.31042	0.8
50.40787	0.8
51.85448	0.8
55.43390	0.9
59.01375	1.2
60.74873	0.9
70.71356	2.3
78.95911	40.8
80.02628	0.9
83.05039	4.9
85.08747	0.9
91.29865	0.9
96.96964	3.1
114.25244	0.9
125.09727	2.4
127.11255	3.8
127.83246	0.9
131.85875	0.9
152.99599	59.8
153.99948	1.0
155.10809	1.3
163.11273	3.5
165.09207	1.4
165.12839	2.3
169.12248	0.9
171.00659	7.4
171.10231	2.6
190.97665	0.8
191.10713	1.1
199.09819	1.3
201.11336	56.4
202.11691	2.2
209.11841	68.3
210.12225	3.0
213.11307	1.8
227.03297	3.8
227.12865	5.5
245.04242	2.2
245.13942	1.2
246.06723	0.9
253.21751	12.8
255.23271	1.2
277.21783	2.8
279.23318	1.4
337.10507	1.1
363.12091	1.9
380.50287	0.9
381.13107	4.2
411.14020	2.3
428.20673	1.0
429.15207	2.4
437.15598	2.3
455.16898	16.7
473.17935	57.8
474.18423	5.4
525.58948	0.9
536.45184	1.0
582.63696	1.0
650.26721	1.0
665.37000	1.9
691.38226	12.0
692.38770	2.3
709.39349	100.0
710.39850	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47998	0.6
54.60171	0.6
57.03452	2.0
59.01393	5.1
71.00924	1.2
71.01362	5.7
73.02965	1.2
78.95911	12.6
83.05031	1.9
85.02963	1.6
87.00885	1.3
89.02462	2.4
91.73359	0.6
93.92759	0.7
95.05035	1.5
96.96950	0.8
97.06593	4.7
101.02440	3.5
113.02460	2.2
125.09720	1.4
127.11252	1.3
129.14864	0.6
145.05069	0.7
151.11310	15.3
152.11691	1.4
152.99600	19.1
161.04599	1.4
163.11388	1.4
165.12961	0.6
169.12358	38.2
170.12704	2.2
171.00630	2.3
171.10316	1.1
175.39272	0.6
195.10350	3.4
201.09572	1.3
201.11346	17.7
209.11844	18.6
210.12122	0.7
213.11319	5.9
224.51286	0.8
227.03326	1.4
227.12881	2.2
235.08240	1.8
245.13976	0.7
253.09262	2.9
253.21719	3.7
255.23244	0.7
277.21738	46.5
278.22131	4.0
316.09564	0.6
363.12085	1.0
381.13144	1.5
401.62845	0.8
411.14484	0.8
431.19327	3.1
437.15945	0.7
449.20193	3.0
455.16791	3.9
473.17920	15.9
473.24292	1.2
474.18405	1.5
500.50143	0.7
504.90964	0.7
617.68781	0.6
646.47778	0.7
691.38239	2.0
692.38831	1.0
709.41272	100.0
710.41522	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	709.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09348	0.5
57.03448	1.5
59.01388	7.2
61.98847	0.9
69.03459	0.6
71.01390	5.9
73.02940	1.4
78.95914	10.0
81.03464	0.6
83.01399	1.1
83.05054	1.0
85.02957	1.2
87.00894	0.8
89.02457	4.4
95.05025	0.6
96.96956	0.9
97.06596	3.0
101.02461	3.8
102.27543	0.6
113.02474	3.2
119.03474	1.2
125.09707	1.0
151.11301	12.8
152.99620	14.6
155.10667	0.6
161.04555	0.9
163.11183	0.9
169.12354	94.3
170.12730	4.1
171.00647	2.3
195.10281	2.6
201.11339	14.3
202.11690	0.6
204.05093	0.6
209.11827	16.9
210.12210	1.3
213.11342	12.4
217.76219	0.6
227.03293	1.3
227.12874	1.8
235.08264	1.0
245.14084	0.7
253.09312	3.7
253.21771	3.3
277.21738	25.1
278.22043	2.3
363.12097	1.3
431.19290	2.7
449.20328	9.4
450.20663	0.8
455.16895	3.3
473.17938	14.9
474.18173	2.0
547.37012	0.6
691.38562	2.6
709.41382	100.0
710.41644	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	711.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03451	4.5
59.01381	9.7
63.10052	0.7
70.00621	3.1
71.01392	5.0
73.02972	1.7
73.98423	0.7
79.95741	5.8
81.03466	1.2
83.01403	3.9
85.02959	3.0
89.02489	1.5
93.03471	2.8
95.01427	0.8
95.95232	4.7
96.96024	34.7
98.20708	0.9
99.04514	1.3
101.02477	4.8
108.02181	26.4
109.02966	100.0
110.03300	4.3
110.97491	0.8
113.02474	1.8
121.02937	1.3
122.97598	2.2
123.00890	1.9
123.04523	2.1
123.44840	0.8
125.02462	2.1
125.96204	0.7
133.03000	1.2
135.04524	0.6
137.02464	1.5
151.04015	2.1
152.01166	24.9
152.02402	1.4
152.62726	0.6
153.01953	89.6
154.02272	3.2
161.02441	2.4
161.04564	1.5
163.04068	0.9
165.01982	3.4
165.05565	0.8
173.04564	3.0
173.72815	0.6
176.04765	0.8
177.01907	2.9
179.03511	4.5
180.04286	2.6
180.63884	0.7
191.05602	5.6
191.07074	0.8
193.44156	0.8
194.05820	1.9
195.06641	2.4
209.08244	1.9
225.07770	0.9
275.02271	1.9
285.04013	1.1
297.06073	1.3
299.05960	0.7
315.07251	26.7
316.07574	1.3
322.98590	0.7
345.22864	0.9
357.08142	6.2
399.09253	0.8
423.09186	0.9
501.10886	3.2
622.29608	0.7
646.66370	0.8
667.31958	3.9
710.50085	0.9
711.21326	89.1
712.21600	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00674	0.3
59.01378	2.6
60.99305	0.4
67.01888	1.3
69.65311	0.7
69.65726	1.1
71.01373	2.0
73.02950	0.6
79.09544	0.3
81.03442	0.4
83.01403	0.5
83.05027	0.6
85.02962	6.4
87.00884	2.5
93.03473	9.5
94.03832	0.3
96.96017	2.1
98.20626	0.6
99.04495	0.4
101.02447	0.6
109.02956	1.0
111.04542	1.8
113.02441	0.4
127.04041	2.0
133.02986	1.7
134.03740	0.7
134.64748	0.3
135.04539	7.2
137.02493	0.4
143.03499	0.3
148.05363	0.3
155.03308	0.3
160.01663	0.5
161.02473	4.8
167.03557	0.4
171.10228	0.3
173.04533	4.6
175.04025	0.5
177.01964	2.1
179.03526	8.0
180.03824	0.3
191.05632	100.0
192.05969	4.0
193.05037	0.5
285.04102	1.1
286.04630	0.5
337.07321	0.4
353.08820	14.7
354.09348	1.5
387.64661	0.4
537.23718	0.4
624.68817	0.3
651.39764	0.4
711.29016	10.8
712.29437	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	711.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00674	0.3
59.01378	2.6
60.99305	0.4
67.01888	1.3
69.65311	0.7
69.65726	1.1
71.01373	2.0
73.02950	0.6
79.09544	0.3
81.03442	0.4
83.01403	0.5
83.05027	0.6
85.02962	6.4
87.00884	2.5
93.03473	9.5
94.03832	0.3
96.96017	2.1
98.20626	0.6
99.04495	0.4
101.02447	0.6
109.02956	1.0
111.04542	1.8
113.02441	0.4
127.04041	2.0
133.02986	1.7
134.03740	0.7
134.64748	0.3
135.04539	7.2
137.02493	0.4
143.03499	0.3
148.05363	0.3
155.03308	0.3
160.01663	0.5
161.02473	4.8
167.03557	0.4
171.10228	0.3
173.04533	4.6
175.04025	0.5
177.01964	2.1
179.03526	8.0
180.03824	0.3
191.05632	100.0
192.05969	4.0
193.05037	0.5
285.04102	1.1
286.04630	0.5
337.07321	0.4
353.08820	14.7
354.09348	1.5
387.64661	0.4
537.23718	0.4
624.68817	0.3
651.39764	0.4
711.29016	10.8
712.29437	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	711.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23564	6.5
59.01383	36.5
61.98822	29.8
68.94801	6.7
71.01370	14.3
71.53909	7.6
84.65926	6.9
85.02962	16.9
87.00893	11.1
89.02442	7.9
93.03460	22.6
96.96023	58.7
101.02484	11.7
133.02959	19.7
134.03738	17.8
135.04536	7.2
173.04544	20.3
175.03947	15.2
191.05614	69.5
193.05013	12.1
197.11871	79.1
209.11813	100.0
211.13333	22.7
215.07184	10.1
227.12822	22.1
235.83394	7.8
251.10777	16.7
253.09256	11.4
257.04633	8.9
283.02374	13.1
295.09592	7.8
301.03409	20.9
303.10269	11.9
377.90994	7.5
407.65530	8.4
425.13611	9.8
427.10330	20.6
433.20529	9.0
443.15036	9.6
519.18140	11.0
549.15515	15.3
637.32751	8.8
711.22839	9.1
711.33514	46.2
712.34320	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	711.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71574	12.8
59.01391	84.1
61.98824	59.9
69.88746	14.3
71.01398	23.6
71.53863	18.6
85.02988	21.3
85.67210	12.6
93.03461	52.7
96.96051	79.8
102.01699	13.9
104.85199	17.0
118.24712	13.4
119.05047	23.1
128.53432	13.1
134.01492	13.9
137.02446	17.0
171.10263	30.4
173.04536	46.4
191.05672	98.4
197.11903	83.7
209.11823	100.0
225.11227	21.7
227.12871	39.3
231.75847	15.8
253.09329	17.4
385.47992	13.9
493.22943	17.4
711.21680	17.5
711.33881	48.9
712.33746	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45269	1.0
68.57597	0.8
69.03468	1.4
88.54993	1.3
93.03497	1.6
113.02434	1.5
117.03468	10.9
118.72282	0.9
119.05041	62.3
120.05377	1.9
121.02967	1.2
145.02969	32.3
146.03253	2.0
150.35262	1.3
163.04027	71.6
164.04375	3.9
191.05682	1.3
219.06641	6.0
237.07684	3.7
327.21680	5.5
383.11392	100.0
384.11661	11.1
728.81946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98195	0.6
55.01887	0.9
59.01390	3.7
60.04984	0.7
69.21581	6.3
71.01389	7.7
71.06715	0.7
73.02953	1.3
83.01408	0.9
85.02947	2.4
89.02431	1.2
93.03466	28.6
94.03823	0.8
95.01409	0.8
96.96003	2.2
96.99314	0.9
101.02438	5.5
108.02185	1.2
109.37764	0.8
113.02455	2.9
115.00343	0.8
119.05043	0.8
121.02944	1.9
129.74159	0.8
133.02946	1.1
134.03761	2.3
135.04549	1.3
135.94745	0.7
136.01671	2.7
137.02458	56.9
138.02811	2.1
145.02946	2.0
147.04485	1.5
151.04082	1.1
174.03175	0.8
179.03572	1.8
188.72865	0.8
189.05524	1.3
191.03616	1.0
191.05597	2.8
193.05141	3.3
197.06047	1.8
202.02652	1.1
215.75601	0.8
217.01442	3.0
218.02257	1.1
221.04666	0.9
225.05571	6.1
226.06363	47.0
227.06740	3.1
232.03725	5.2
233.04578	2.8
240.07980	3.4
241.08717	26.7
241.10587	0.5
242.09018	3.0
251.07158	1.4
252.08044	1.2
253.08630	1.3
254.09515	1.4
267.10364	1.0
280.07541	2.1
281.06693	44.6
282.06900	2.2
283.10114	1.0
295.09753	2.7
339.08698	0.8
414.71854	0.7
515.11993	25.6
516.12408	3.6
523.16113	100.0
524.16479	16.3
577.17505	1.0
621.16144	2.6
713.20612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23907	0.4
98.20642	1.1
98.87650	0.4
104.95943	0.4
248.91875	0.4
260.27524	0.4
439.76038	0.4
459.07040	3.1
621.13019	2.0
637.36377	0.4
677.49884	3.1
713.47424	100.0
714.47760	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	715.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	92.9
61.98824	8.6
71.01389	57.9
73.02946	14.0
77.16170	2.6
79.95736	6.4
80.96519	3.7
83.01404	6.3
85.02950	26.9
87.00893	6.3
89.02457	27.9
93.03469	10.0
95.01392	5.7
96.96021	75.3
99.00874	6.5
101.02451	29.9
102.62917	3.2
113.02477	31.4
119.03490	8.7
124.01644	4.0
125.02469	5.4
128.03549	6.5
137.02480	3.6
143.03493	4.0
147.99626	3.0
151.00371	5.3
161.04559	3.8
171.10216	4.1
173.04498	8.9
179.05675	3.6
189.16559	2.8
191.05632	25.1
192.05995	5.4
209.11821	12.9
210.83878	2.8
243.06796	3.2
283.02448	3.3
285.04077	6.2
329.13815	3.4
381.09644	3.0
459.07074	5.2
611.34326	100.0
612.34882	20.3
629.35492	65.0
630.35162	16.2
671.37585	25.2
672.36493	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	715.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
59.01383	3.0
61.98800	0.6
69.03456	3.0
69.80672	2.4
71.01398	4.1
71.05037	1.5
73.02956	1.0
83.01408	0.4
85.02950	1.1
87.00889	1.1
89.02473	1.8
90.85654	0.4
95.01395	0.5
98.20692	0.9
101.02430	3.1
112.73375	0.4
113.02470	1.3
119.03468	0.5
123.08195	1.3
125.09726	2.0
145.05099	0.8
149.09717	0.6
150.33540	0.4
151.11279	2.0
153.12860	1.2
161.04567	0.8
161.09726	3.4
179.10783	7.2
197.11850	36.2
198.12321	2.3
204.07617	0.5
209.11714	0.6
223.09821	0.9
235.08275	1.1
241.10820	1.6
253.09267	1.9
255.23314	71.5
256.23651	6.2
257.48419	0.5
269.24832	0.8
459.18695	0.6
477.19977	1.1
715.42773	100.0
716.43097	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	716.372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86816	0.2
51.43368	0.2
59.01386	2.8
61.98837	100.0
62.75119	0.2
62.98541	0.2
67.08904	0.2
71.01394	0.6
71.24710	0.3
71.84135	0.2
74.52276	0.2
76.70978	0.2
85.02959	0.2
89.02445	0.3
101.02435	0.2
143.07117	0.2
171.14537	0.2
222.23717	0.2
236.60004	0.2
255.23367	0.5
256.23697	0.5
257.23816	0.3
384.25473	0.2
397.13623	0.3
398.13992	0.5
399.14133	0.8
400.14014	0.4
465.26532	0.2
496.14261	0.2
510.15509	0.2
567.19086	0.4
569.16980	0.5
570.17432	0.5
577.26849	0.3
599.21899	0.7
656.21912	0.2
657.22198	0.6
716.22943	0.5
717.24164	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	716.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.98833	100.0
62.98532	0.2
71.01389	0.4
83.01410	0.1
89.02476	0.2
101.02475	0.2
131.78081	0.1
139.43172	0.1
199.98283	0.1
255.23392	0.4
256.23715	0.5
257.24066	0.2
258.24133	0.2
307.27890	0.1
397.13638	0.3
398.14011	0.3
399.14081	0.6
400.14664	0.4
415.14435	0.1
417.15353	0.3
418.15396	0.1
543.52936	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	717.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98839	24.7
73.13546	0.9
73.59827	0.8
74.48927	0.8
77.05136	0.9
78.95935	0.7
95.19718	0.7
98.20164	5.7
201.50090	0.8
229.53961	1.1
297.51611	0.8
438.09500	0.9
441.15643	0.8
453.11835	1.8
457.18781	1.7
459.17050	1.5
467.13599	1.2
475.02811	0.8
480.14145	1.3
481.11667	2.8
482.12170	1.3
495.16583	1.0
496.13855	13.7
497.14542	9.1
498.15445	2.9
510.15332	3.9
511.16202	8.2
512.16504	3.3
513.17786	4.2
514.18042	1.2
538.14990	1.2
539.19537	2.5
542.14331	0.9
544.16040	5.0
545.16473	2.3
551.15753	1.3
567.18994	10.9
568.19189	3.6
570.17303	1.5
571.18341	11.8
572.18457	2.3
583.17834	1.2
589.19562	1.6
597.19977	2.1
598.20660	3.1
599.21527	37.7
600.21875	8.2
602.16766	2.1
625.19299	1.4
630.20105	1.5
643.20374	1.4
657.22015	19.7
658.22528	4.8
691.10406	0.9
717.24219	79.7
718.24530	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	717.242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08638	1.1
59.01388	100.0
61.98835	10.8
68.54206	1.1
69.24522	11.4
71.01396	1.3
76.72143	1.2
77.13544	1.1
78.95934	1.9
92.35664	1.0
116.92894	2.3
118.74251	1.1
132.48079	1.1
152.99596	1.5
174.50981	1.2
204.12436	1.9
255.23328	1.3
283.46448	1.4
318.20142	1.3
453.12051	2.2
481.11234	3.0
496.13837	12.8
497.14539	5.3
498.15048	2.8
510.15573	2.8
511.16190	9.9
512.16754	4.8
513.17847	2.6
530.15173	1.4
538.15173	2.2
539.19812	1.7
544.16089	3.9
567.18878	10.6
568.19208	2.1
570.17572	3.3
571.18158	8.4
572.19482	1.4
577.26312	2.0
579.57190	1.7
589.19867	1.8
597.19519	2.3
598.20459	3.5
599.21539	31.5
600.21552	9.1
602.16711	3.1
625.19220	3.5
630.19366	2.1
631.20782	2.0
643.21008	1.6
657.21973	18.0
658.22583	5.6
717.24200	83.1
718.24500	27.6
718.36572	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.5
57.33989	0.3
59.01389	8.5
61.98817	0.3
71.01395	4.5
73.02953	1.2
79.27572	0.3
80.02712	0.4
80.60488	0.3
81.03468	0.3
83.01397	22.4
84.01736	0.5
84.80305	0.4
85.02964	1.5
87.00858	0.3
89.02483	2.0
93.03474	1.3
95.01406	0.7
96.96024	3.0
99.04551	1.0
99.36235	0.3
101.02453	7.5
108.02186	32.1
109.02448	0.7
113.02472	3.2
119.03476	0.7
120.01264	0.7
123.00878	0.4
123.04543	14.4
124.04855	0.5
125.02467	1.6
133.02988	0.4
134.03767	1.3
135.04544	0.6
137.02452	0.7
143.03526	1.3
149.06071	0.6
152.01169	58.8
153.01532	2.9
153.05589	0.3
155.03523	0.4
161.02483	0.7
161.04565	1.6
161.05934	0.4
167.03513	100.0
168.03851	4.3
173.04604	1.1
177.01956	0.4
178.02727	1.3
179.05675	0.8
191.05614	2.1
193.05075	2.5
212.06868	0.3
216.04245	0.4
227.05519	0.5
231.06667	0.4
245.06686	11.6
245.09232	0.6
246.07060	0.8
261.13492	0.4
287.07678	0.4
311.07858	0.8
329.08786	3.7
345.15570	12.6
346.15912	1.3
371.09848	4.5
372.10043	0.4
387.16666	1.0
405.17780	0.5
449.14557	0.5
455.12473	0.3
717.25287	1.9
718.25513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36930	7.1
59.01387	17.3
61.98837	100.0
71.01411	17.0
74.17699	6.7
78.95932	14.9
85.02986	8.2
89.02451	19.9
89.17542	7.0
96.94753	7.1
98.20662	18.2
101.02448	12.2
113.02446	8.2
132.88545	7.0
153.05519	7.7
159.10324	38.9
171.10292	23.8
207.10333	12.8
225.11333	16.1
229.41945	7.2
253.09413	11.2
255.23277	94.6
279.23315	32.7
283.26367	40.0
397.13412	89.7
398.13889	14.8
406.23489	7.6
415.14615	17.2
452.81442	7.9
717.37225	44.7
718.38513	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	717.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.2
59.01389	4.6
61.98832	2.0
69.20492	3.4
69.20918	2.4
71.01380	5.1
71.05022	2.0
73.02969	1.5
78.95901	1.5
81.03451	0.7
85.02937	0.8
87.00897	1.0
89.02444	1.2
97.02959	2.5
97.06590	1.7
99.00885	10.8
101.02453	3.8
113.02475	1.8
119.03500	0.7
123.08173	1.4
125.09731	5.1
142.02704	1.1
152.99614	1.4
161.04587	1.3
163.11314	6.3
171.10313	2.2
179.10730	0.6
181.12347	10.0
182.12708	0.9
182.61394	0.6
197.11839	0.7
199.13412	9.9
207.10272	19.7
208.10559	1.2
225.11331	31.0
226.11710	1.1
235.08275	2.6
243.12373	4.9
253.09314	2.9
255.23318	79.2
256.23593	6.3
281.36938	0.7
351.04111	0.7
443.19040	1.0
461.20117	2.3
479.21329	1.3
491.32141	1.0
493.59863	0.7
603.73859	0.7
699.42804	3.2
700.43286	1.2
717.44379	100.0
718.44708	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	719.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69958	1.3
59.01385	5.6
59.25734	1.2
60.28787	1.1
60.99314	4.2
61.53373	1.1
61.98833	3.1
62.27746	1.0
63.09446	1.1
63.89730	1.6
65.91936	1.2
67.01891	12.0
69.03467	3.9
71.01364	6.9
71.02163	1.8
71.02497	1.9
73.02966	1.9
81.03487	2.7
81.31519	1.2
83.05037	5.2
85.02980	2.9
87.00889	20.6
89.02460	2.0
93.03469	92.9
94.03791	3.4
96.96025	3.5
99.00875	2.2
99.04522	2.4
101.02467	3.8
109.02990	1.7
111.04536	12.3
113.02467	2.4
117.03526	2.0
129.01935	2.8
134.03735	8.4
135.04547	4.7
149.02496	1.9
151.11337	1.9
155.03520	3.8
161.02428	1.9
162.03232	5.3
163.11287	2.4
165.12778	2.0
169.12389	11.9
171.10275	1.2
173.04561	50.2
174.04895	1.6
181.08226	1.1
191.05659	16.0
197.11859	21.2
198.12111	1.2
205.08621	1.3
209.11858	44.5
210.12199	3.3
215.07098	1.4
227.12923	4.4
235.08157	1.4
253.09354	2.5
269.04584	15.0
275.09244	5.8
315.70590	1.2
342.43842	1.2
351.07602	1.3
352.07849	1.6
400.99280	1.4
449.14563	100.0
450.14880	14.6
678.38428	1.4
687.32355	29.6
688.32660	5.0
719.23230	2.1
719.35156	27.6
720.34961	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	719.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
69.64971	25.0
69.65379	12.3
78.06098	4.8
89.02471	9.0
111.90545	4.7
161.73248	5.8
215.03299	6.4
228.56680	5.6
307.62091	5.3
341.10916	26.6
377.08582	100.0
492.72891	5.5
569.85773	5.7
605.68665	6.7
654.11951	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	719.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
69.64971	25.0
69.65379	12.3
78.06098	4.8
89.02471	9.0
111.90545	4.7
161.73248	5.8
215.03299	6.4
228.56680	5.6
307.62091	5.3
341.10916	26.6
377.08582	100.0
492.72891	5.5
569.85773	5.7
605.68665	6.7
654.11951	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	719.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01389	5.9
61.98824	1.4
69.03462	4.0
70.99879	1.6
71.01391	5.3
71.05023	1.8
73.02924	0.9
81.03464	2.0
83.05026	3.6
83.60257	0.9
84.02170	1.5
85.02959	1.4
87.00873	1.5
89.02421	2.5
93.03473	0.9
97.02983	1.2
101.02453	4.1
113.02428	1.2
119.03603	1.3
123.08166	1.6
125.09712	3.9
135.08191	1.2
151.11261	2.6
153.12886	1.5
161.04643	1.3
161.09711	2.6
163.11307	4.2
165.12863	1.7
179.10788	5.9
191.05647	1.7
197.11841	76.2
198.10480	1.0
198.12152	4.9
209.11839	46.2
210.12167	3.5
223.09767	1.2
227.12892	3.5
235.07979	0.9
241.10904	4.4
253.09282	3.5
259.76593	0.9
477.19525	3.3
687.32361	100.0
688.32751	21.8
719.35120	25.2
720.35315	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	719.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42256	0.8
55.01885	1.3
56.69714	0.9
59.01113	0.9
59.01389	9.3
59.81405	0.8
61.37098	0.9
61.98824	2.9
62.93480	0.9
69.03455	1.8
69.77660	4.4
71.01385	8.3
72.99295	1.6
73.02940	1.9
79.60806	0.8
80.02690	1.9
81.03457	2.6
82.95403	0.9
83.01395	2.8
83.05035	8.3
84.02177	1.3
85.02953	3.9
87.00880	2.1
89.02451	4.7
90.98577	1.1
93.03461	3.8
95.01354	0.9
95.05057	1.6
96.96005	4.4
98.38721	0.8
99.00883	1.1
101.02469	7.9
113.02460	2.8
119.03532	0.9
135.04527	1.8
135.08188	1.4
145.05070	0.9
151.11220	1.9
153.12839	2.6
156.61339	1.0
161.02548	1.0
161.04527	2.7
163.11314	5.3
165.01831	1.1
165.12869	3.6
169.12360	41.0
170.12706	1.6
171.10300	2.3
173.04604	3.2
179.01559	0.8
179.03473	1.4
179.10663	1.3
191.05649	15.7
191.10796	1.4
192.06108	1.0
193.89153	0.9
197.11864	75.6
198.12204	5.8
209.11858	100.0
210.12206	5.7
223.09818	2.0
227.12943	9.5
235.08179	1.3
241.10841	0.9
253.09360	7.4
285.03979	1.0
298.97751	1.0
459.18594	1.0
513.27509	1.0
669.31653	1.2
675.32288	1.2
687.32379	88.3
688.32635	17.7
719.35083	72.6
720.35425	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	720.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.9
60.01727	0.6
61.98838	100.0
71.01385	0.5
71.53368	0.4
79.77419	0.2
101.02455	0.3
109.06658	0.4
152.99828	0.3
163.11398	0.5
191.05724	0.3
207.10263	2.0
223.09683	0.3
225.11333	2.5
233.90196	0.3
235.08307	0.4
253.09381	0.6
277.21719	3.0
279.23367	1.1
461.20718	0.3
498.14807	0.5
499.14935	0.7
500.14853	0.7
513.16620	0.7
514.16406	0.3
570.19611	0.9
600.21906	0.3
601.21832	0.8
602.21594	2.5
660.22351	1.3
720.24341	8.2
721.24371	1.2
721.41827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01373	1.7
68.63522	0.6
69.39716	2.6
69.40148	1.8
71.01385	2.7
73.02939	1.4
79.95744	47.8
80.96548	0.8
83.01396	2.2
85.02946	1.6
93.03471	11.3
95.95238	14.8
95.95827	1.2
96.96019	100.0
101.02463	2.9
102.64015	0.5
106.56012	0.6
109.02969	1.0
110.97588	2.6
113.02445	2.2
119.05042	5.3
119.74139	0.5
121.02956	1.3
123.04578	0.7
125.02413	0.7
135.04515	1.6
136.01672	4.2
137.02455	29.1
138.02800	1.1
141.95740	0.7
147.04480	1.0
149.99947	1.6
150.03290	1.1
151.04010	4.6
159.04500	1.9
160.05298	2.9
161.02368	0.9
161.04666	0.7
161.06052	1.5
163.04015	6.5
164.04756	0.8
165.05553	0.5
173.04581	2.8
173.05968	0.6
175.07660	3.3
177.01929	1.5
177.05594	2.7
178.06355	1.4
179.03537	1.7
187.00346	0.6
191.05634	5.6
193.04976	0.7
200.12280	0.6
259.02814	1.1
281.06689	17.7
282.06903	1.3
315.12396	2.5
329.13922	6.6
335.07605	0.7
343.11850	1.7
383.98236	0.6
384.59714	0.6
409.09460	1.1
413.12415	1.9
423.07556	1.2
424.08279	0.8
425.09183	0.7
437.09048	2.6
438.09952	1.1
439.10687	3.4
440.11856	0.7
468.61475	0.7
601.16046	2.0
611.20947	1.6
721.18036	89.2
722.18439	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
59.01384	5.6
70.77419	0.9
71.01392	2.5
73.02969	0.6
73.14262	0.4
80.25854	0.4
83.01394	10.2
85.02970	1.8
87.00904	0.5
89.02461	0.5
93.03471	2.2
95.01419	0.4
96.96021	7.7
99.04533	0.7
101.02442	2.8
109.02973	0.4
111.04548	0.6
113.02476	1.1
119.05040	100.0
120.05370	4.0
125.02489	2.0
135.04565	2.6
137.02448	1.1
143.03520	0.8
143.87775	0.4
155.03482	0.4
161.02446	1.1
161.04669	0.6
163.04024	90.4
164.04356	4.4
167.03494	0.6
173.04552	2.7
179.03543	1.0
191.05605	5.4
192.06076	0.4
227.07317	0.5
229.01642	0.4
245.06667	3.2
269.10315	1.7
271.63922	0.4
281.46252	0.5
307.08292	1.2
325.09326	10.5
326.09662	0.7
335.07587	0.6
336.07504	0.4
353.08182	0.5
353.12506	4.6
367.10333	3.1
389.12369	0.8
409.11557	2.0
433.11209	0.7
547.18158	0.6
721.23212	6.7
722.24158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01390	4.3
60.99297	0.9
61.98837	0.8
67.01896	2.6
69.03449	0.5
71.01395	3.8
71.54566	1.0
73.02950	0.8
73.56485	0.6
77.53494	0.6
79.95741	1.3
81.03467	1.1
83.01398	1.4
83.05046	1.0
85.02959	7.9
85.59904	0.5
87.00874	3.1
93.03473	32.0
94.03834	1.1
96.95386	1.0
96.96024	21.9
98.95596	2.0
99.04517	1.1
101.02448	2.2
109.02961	2.1
111.00838	0.7
111.04527	4.1
113.02440	1.3
119.05048	5.6
125.02446	1.1
127.04017	2.5
133.02980	3.7
133.20531	0.5
134.03728	2.0
135.04549	24.1
135.11772	0.9
136.04813	0.8
137.02466	19.2
138.02798	0.6
151.00418	0.8
153.01822	0.6
155.03535	6.6
161.02451	18.5
163.03996	4.8
167.03532	1.0
169.01518	0.7
171.03088	0.8
171.10208	1.1
173.04568	44.4
174.04935	1.8
177.02048	0.9
179.03519	20.6
179.07155	0.6
179.10760	4.0
180.03865	1.1
191.05632	100.0
192.05992	3.4
193.04939	1.1
201.11255	1.1
223.09714	0.7
317.28091	0.6
323.07693	0.8
325.09232	1.0
332.89886	0.6
335.07770	32.5
336.08160	2.7
339.10980	0.9
341.08905	0.8
353.08795	8.9
353.12543	0.9
353.16260	1.4
354.09161	0.9
397.15048	29.2
398.15588	2.5
497.13126	4.4
498.13580	0.7
547.18530	1.0
559.19257	6.8
560.19379	1.0
677.24817	1.8
683.38416	1.4
685.20160	0.6
721.23541	16.1
722.24139	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	721.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20815	0.9
59.01386	100.0
60.01704	1.2
69.42374	4.7
69.42786	1.2
71.01392	19.1
72.99341	1.2
73.02953	14.5
74.57666	0.8
79.95741	0.9
83.01408	4.9
85.02964	3.8
87.00857	0.9
89.02459	10.0
93.03429	1.0
95.01389	1.1
95.32761	0.8
96.96017	12.1
101.02449	19.3
113.02457	8.6
119.03522	5.3
128.03510	2.1
131.03488	2.1
143.03506	2.8
149.04538	5.2
161.04573	8.9
173.04555	3.4
179.05630	1.2
191.05661	4.6
203.05515	1.0
213.12418	4.6
221.06812	4.1
247.11867	2.5
257.11346	1.4
257.71487	0.9
289.12955	2.1
387.16531	2.6
462.17712	0.8
584.63184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40822	2.1
51.20708	2.3
59.01382	11.6
61.98841	21.8
71.01391	53.5
73.02985	2.8
76.65238	2.6
78.95930	4.9
80.02714	2.5
80.96501	2.4
81.03468	4.6
83.05029	8.1
85.02951	6.1
87.00871	5.8
89.02429	3.3
93.03474	11.1
96.96021	10.0
97.02990	2.3
97.06598	2.8
99.00887	4.4
101.02468	7.4
109.06612	8.1
111.04525	4.0
113.02405	2.6
119.75870	2.6
135.04564	5.5
163.04070	3.0
163.11243	12.7
164.11720	2.8
165.12846	3.1
169.12254	2.4
171.10294	14.7
173.04553	6.2
181.12326	7.9
185.11885	2.7
191.05612	50.2
192.06021	4.3
197.11906	4.0
199.13414	3.7
201.11325	4.1
207.10269	32.7
209.11848	100.0
210.12239	9.5
215.12924	3.0
225.11378	27.7
227.12898	11.1
235.08327	3.4
243.12405	6.0
247.09500	2.6
253.09296	5.2
273.17004	9.2
274.17404	4.5
275.17648	2.6
461.20132	6.9
671.32538	6.2
689.33557	18.4
721.37726	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	721.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99400	0.6
53.21251	0.5
55.01868	0.8
56.39295	0.6
57.03432	1.8
59.01382	6.3
60.85495	0.6
61.98826	2.2
69.03463	1.1
71.01056	0.9
71.01391	7.5
71.05041	3.5
73.02959	1.2
79.95734	0.8
80.02664	1.1
80.96503	0.7
81.03465	1.3
83.01386	0.9
83.05055	4.0
84.02180	1.0
85.02939	1.6
87.00874	1.5
89.02476	3.3
90.05791	0.6
93.03442	1.7
95.05041	0.9
96.96019	7.7
97.02950	2.8
97.06583	2.3
98.20770	1.0
99.00281	1.1
99.00890	16.7
101.02438	2.6
109.06590	1.4
113.02441	2.8
119.03519	0.8
123.08183	1.6
125.09744	8.0
126.10056	0.7
135.08183	1.3
142.02733	0.9
161.04543	1.0
163.11305	13.1
164.11586	0.7
165.12833	2.0
171.10278	10.3
173.04552	1.8
181.12358	19.2
182.12712	1.4
191.05623	6.6
197.11818	2.6
199.09747	0.6
199.13399	9.0
207.10291	23.2
208.10602	0.9
209.11839	47.1
210.12135	3.4
213.24742	0.7
225.11337	35.2
226.11639	2.8
227.12888	4.1
230.17534	0.9
235.08217	0.9
239.55333	0.6
243.12410	19.8
244.12810	1.0
246.07539	0.6
248.08374	0.7
253.09325	2.5
264.21347	0.6
459.45340	0.7
461.20279	2.2
479.21234	6.7
480.21298	1.0
497.27737	0.8
604.48187	0.7
671.33209	2.9
689.33942	100.0
690.34235	20.1
690.46283	1.0
703.31824	0.9
721.36121	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	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.63969	0.6
57.03437	0.6
58.00621	0.9
59.01384	19.2
69.03462	1.0
70.68177	1.2
71.01380	6.6
72.51804	0.5
73.02963	1.6
75.62324	0.5
78.95937	0.5
80.02697	0.7
81.03481	1.5
83.01397	1.3
83.05048	1.6
83.60566	0.6
85.02959	2.2
86.77507	0.6
87.00881	2.0
89.02460	5.2
95.01398	1.7
95.05028	4.5
97.02974	4.7
97.06637	0.9
99.00916	0.8
99.04514	0.9
101.02461	7.0
105.83866	0.6
106.04289	0.7
107.05034	1.1
109.02969	0.5
109.06597	13.7
110.03737	2.2
111.04514	2.4
113.02457	3.8
118.74628	0.5
119.03524	1.5
121.06587	0.9
127.07633	0.5
133.71405	0.6
135.08200	2.1
142.02742	0.6
143.03481	0.6
145.05052	1.4
145.10226	0.9
149.09770	0.8
151.11295	0.8
154.78534	0.6
158.90518	0.7
161.04572	2.2
161.09724	2.7
163.11302	14.1
164.11563	0.7
165.09276	0.7
169.12436	0.8
179.05699	1.5
179.10797	2.1
181.12358	2.7
189.09218	5.5
197.11835	1.5
205.08720	0.6
207.10275	54.0
208.10608	3.9
209.11884	1.6
223.09676	1.2
225.11337	100.0
226.11705	6.2
235.08183	7.0
235.84525	0.6
242.38354	0.5
253.09303	16.4
254.09673	0.7
259.20499	0.7
275.20261	0.6
277.21741	99.9
278.22086	9.7
278.24945	1.0
279.23267	1.3
299.15192	1.3
443.19229	9.0
444.19510	0.8
461.20374	18.8
462.20694	2.3
703.41339	0.7
721.41772	24.0
722.42200	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	721.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97841	0.6
57.03448	0.8
58.00608	0.9
59.01386	21.1
61.95111	0.6
61.98847	2.9
70.29497	0.6
70.69848	0.9
70.70177	1.0
71.01392	8.0
71.05009	0.7
72.99319	0.9
73.02966	1.4
78.95943	0.7
81.03468	2.8
82.90739	0.6
83.01405	1.1
83.05022	2.7
85.02954	2.3
87.00885	1.3
89.02441	4.8
95.01393	1.2
95.05041	2.7
97.02967	7.3
97.06606	0.7
99.00918	1.4
99.04521	0.7
99.30499	0.6
101.02447	7.0
106.04295	0.8
107.05030	1.0
109.06601	33.3
110.03758	2.1
111.04550	1.3
113.02477	3.7
119.03548	1.2
121.06608	1.9
125.09715	1.3
135.08192	3.2
136.05325	1.6
142.02707	1.4
143.03497	0.7
145.04993	0.7
151.11282	0.6
151.80478	0.6
161.04567	3.0
161.09691	2.4
163.11311	17.8
164.11597	1.4
171.10251	0.6
179.05627	2.5
179.10805	1.9
181.12334	4.8
189.09239	5.3
197.11909	0.8
207.10281	100.0
208.10606	6.5
209.11821	2.0
225.11337	88.8
226.11673	5.7
235.08223	4.2
243.12357	1.1
253.09300	16.8
275.20248	0.7
277.21741	94.4
278.22073	7.8
281.14047	0.7
299.14951	1.6
423.33261	0.7
441.33807	1.7
443.19324	8.7
461.20355	21.9
461.27011	1.1
462.20514	2.1
464.90915	0.7
485.32675	1.1
703.40637	1.5
721.41766	36.3
722.42169	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	723.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38264	0.2
53.76141	0.2
59.01380	1.0
70.00970	1.2
71.01382	1.0
73.02942	0.4
75.94224	0.2
77.14027	0.3
79.95747	10.1
79.96218	0.6
80.96529	1.5
85.02968	0.6
87.00883	0.6
89.02462	0.3
93.03469	1.1
93.80745	0.3
94.98084	0.7
95.01423	0.2
95.94620	0.7
95.95244	14.9
96.96021	100.0
97.95967	0.3
101.02465	0.3
104.03484	0.3
109.02956	0.4
109.06609	0.3
110.97588	1.2
113.02497	0.3
121.02940	0.4
122.97604	3.7
123.00910	0.8
130.31812	0.3
134.03577	0.3
135.04482	0.5
137.02464	2.3
139.04083	0.4
149.02431	0.4
151.00385	6.1
151.04045	0.5
152.01114	0.5
152.04811	0.4
161.02460	0.4
165.01941	1.4
166.02731	15.0
167.03322	1.2
171.10286	1.1
173.04533	1.4
175.04088	0.4
177.02039	1.3
178.02710	0.7
179.03424	0.5
180.04294	0.9
181.05086	10.9
182.05444	0.7
191.03595	0.3
191.05634	1.6
192.04286	0.8
193.05069	1.8
194.05971	0.4
195.06674	1.1
197.11781	0.6
201.11345	0.9
207.06622	0.8
209.11786	1.0
215.12958	0.7
225.07719	0.7
225.11295	0.3
238.32373	0.3
288.03067	1.2
289.03867	0.7
305.03391	6.5
306.03824	0.3
325.20151	1.2
357.09814	0.4
385.59250	0.3
387.10867	2.6
397.13715	0.4
402.13022	0.9
415.14627	0.3
417.15421	2.3
723.19708	28.4
724.20007	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	723.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.1
61.98833	24.9
71.01382	22.1
78.95923	5.3
83.05015	5.8
85.02952	15.6
87.00872	5.4
89.02444	10.6
93.03468	15.2
95.05004	6.5
96.96020	36.2
97.02948	10.8
97.06587	5.3
101.02425	11.3
109.01370	4.4
109.06603	28.4
113.02441	8.9
117.03500	4.8
125.09716	14.6
135.04510	7.0
153.98830	5.2
163.11279	20.5
165.12808	4.8
171.10298	21.3
173.04582	13.4
179.10753	9.9
181.12370	4.8
184.58694	4.9
187.09760	6.5
191.05637	65.1
191.10799	5.9
197.11845	49.2
199.09781	25.6
201.11287	10.0
207.10274	74.4
208.10503	5.4
209.11848	100.0
210.12012	5.0
223.09726	9.0
225.11308	43.2
227.12885	16.2
235.08237	11.4
241.10786	7.9
253.09200	20.4
389.19388	6.3
434.10013	5.9
435.18686	6.2
445.21051	6.8
461.20627	11.6
477.20258	8.2
559.98389	5.5
607.27344	13.4
625.28595	33.9
633.29608	7.0
643.29724	21.1
651.30786	28.0
652.30267	5.6
668.98077	5.9
669.31110	19.1
670.30994	5.6
687.31958	35.7
688.32214	9.8
723.33356	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66782	0.8
59.01384	7.5
61.98853	2.4
71.01389	7.8
72.16199	1.0
73.02962	1.5
80.96533	1.1
81.03412	1.1
83.01402	1.7
83.05047	4.2
85.02954	3.5
87.00890	2.7
89.02457	2.7
93.03475	3.9
96.96029	15.5
98.20698	1.7
98.52698	0.8
99.00904	1.8
101.02449	4.3
105.47562	0.9
109.06606	1.4
111.04546	1.4
113.02454	2.9
119.05063	2.7
125.02420	1.1
125.09737	2.4
135.04483	1.6
136.61412	0.9
161.02519	1.5
161.04570	2.5
163.04013	1.5
163.11302	3.8
165.12840	2.2
167.03490	1.4
169.12349	3.8
171.10304	7.5
173.04601	5.8
179.05716	0.9
189.05560	1.4
191.05652	15.4
191.10843	1.0
197.11902	1.1
199.09778	2.5
201.11336	23.6
202.11580	1.6
207.10263	2.1
207.93111	1.0
209.11847	100.0
210.12148	7.0
225.11253	2.8
227.12909	13.9
228.13211	1.6
235.08292	3.8
253.09277	7.4
255.02777	1.1
285.04144	1.4
313.06412	1.1
359.09210	1.7
374.11548	2.5
389.14096	6.8
390.14371	1.9
437.20151	1.4
445.20859	3.2
519.31610	2.0
531.16040	1.2
561.31720	1.2
637.32727	1.3
661.29779	1.2
679.21942	1.1
687.32971	1.4
705.33136	1.4
723.35315	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	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
55.27880	0.3
59.01384	7.1
61.98808	0.4
70.71019	0.3
70.71331	0.6
71.01385	4.1
73.02957	1.2
77.69917	0.3
80.02689	1.2
81.03466	1.3
83.01378	0.4
83.04575	0.5
83.05037	4.7
84.02167	0.8
85.02956	1.1
87.00885	1.1
88.60670	0.3
89.02455	2.4
95.01347	0.3
95.05011	0.6
99.00880	0.4
101.02445	3.3
109.06580	0.9
113.02439	1.6
119.03519	0.7
125.06077	0.7
133.05014	0.4
135.08174	0.5
145.05069	0.9
152.99658	0.3
161.04573	1.3
163.11292	4.1
163.32564	0.3
164.11665	0.5
165.12856	1.9
170.36307	0.3
173.88680	0.3
175.31047	0.3
179.05641	0.5
181.12372	1.0
191.10786	1.0
199.13358	0.6
207.10289	1.3
209.11841	100.0
210.12158	6.2
225.11301	1.6
226.11673	0.5
227.12910	10.6
228.13222	0.5
235.08226	4.4
236.08644	0.4
253.09309	10.2
254.09619	0.7
271.82727	0.3
275.20142	0.3
277.21747	92.0
278.22110	11.0
279.23297	2.2
280.23709	0.3
312.01700	0.3
356.68326	0.3
445.20859	0.8
513.30701	0.3
545.84180	0.3
723.43262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41175	0.2
59.01378	3.2
68.45974	0.2
69.84322	0.2
71.01382	2.4
72.99313	0.2
73.02947	0.6
79.08685	0.2
80.02688	0.8
81.03477	1.0
83.01354	0.4
83.05033	4.6
84.02188	0.5
85.02968	0.7
87.00864	0.5
89.02454	1.8
95.01384	0.3
95.05037	0.8
97.02969	0.2
101.02439	1.9
109.06606	0.4
113.02457	1.3
119.03536	0.4
121.94455	0.2
125.06094	0.4
135.08163	0.6
143.03488	0.2
147.11786	0.2
161.04604	1.1
163.11308	3.6
165.12869	2.3
179.05637	0.5
181.12349	0.6
190.09259	0.2
191.10863	1.3
199.13292	0.2
207.10323	0.7
209.11839	100.0
210.12169	6.8
225.11212	1.1
226.11734	0.5
227.12900	9.8
228.13231	0.7
235.08235	1.4
253.09279	7.7
254.09772	0.4
275.20306	0.3
277.21738	49.4
278.22067	4.8
279.23325	1.0
315.05032	0.2
445.20923	1.0
463.21848	0.3
541.60065	0.2
558.00739	0.2
608.31061	0.2
723.43713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.2
55.37158	0.2
56.35877	0.2
59.01386	3.8
61.98863	0.2
62.73466	0.2
70.75864	0.4
71.01388	2.8
71.12829	0.2
71.93515	0.2
73.02953	0.5
80.02681	1.0
81.03452	1.5
82.63313	0.2
83.01417	0.5
83.05034	4.5
84.02151	0.5
84.83668	0.2
85.02954	0.8
87.00911	0.4
89.02450	2.1
95.05049	0.7
97.02959	0.3
98.20382	0.3
99.00886	0.2
101.02457	2.3
106.97113	0.2
109.06602	0.4
113.02456	1.5
119.03531	0.5
119.47585	0.2
125.06137	0.4
133.05145	0.3
135.08156	0.5
141.93034	0.2
152.99702	0.3
154.61922	0.2
161.04570	1.0
163.10049	0.3
163.11304	3.6
163.60774	0.2
165.12885	1.8
179.05638	0.4
181.12373	0.6
191.10744	1.3
198.99713	0.2
205.19675	0.3
207.10304	0.5
209.11839	100.0
210.12181	6.8
225.11359	0.6
227.12892	10.3
228.13266	0.5
235.08263	2.9
253.09299	8.8
254.09656	0.5
259.20636	0.2
277.21738	68.6
278.22076	7.2
279.23248	0.9
290.19156	0.2
309.19757	0.2
367.60077	0.2
445.20654	1.0
723.43256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01381	3.4
60.99323	0.4
61.98824	1.0
67.01899	4.5
69.03458	0.9
71.01390	4.7
73.02952	1.0
79.95757	1.9
81.03454	1.3
83.01394	1.0
83.05047	1.1
85.02967	2.2
87.00900	0.6
93.03469	27.8
94.03814	0.7
95.95266	2.0
96.96023	14.5
99.04523	0.6
101.02451	1.0
107.05053	0.6
108.02195	1.2
109.02966	1.6
111.00871	0.7
111.04529	5.6
113.02478	0.9
115.22483	0.4
121.02959	0.7
122.03764	0.5
122.94793	0.4
122.97640	0.4
123.04541	1.6
125.02457	0.5
127.04033	0.5
133.02943	1.5
134.03780	4.9
135.04543	2.5
137.02457	5.1
149.02431	1.1
149.06085	1.7
150.03242	4.5
152.01125	2.3
153.01833	0.5
154.54343	0.5
155.03545	4.8
161.02469	4.5
162.76151	0.4
163.03992	0.6
165.01881	0.6
165.05612	5.5
166.09744	0.4
167.03539	3.5
173.04564	100.0
174.04872	3.8
175.04034	0.5
177.01959	1.7
178.02737	3.3
179.03502	2.9
180.04309	0.8
181.52484	0.4
187.67751	0.4
190.06316	0.8
191.05626	11.1
192.05939	0.8
193.05057	9.8
194.05400	0.6
195.06650	2.1
211.13235	0.4
228.33188	0.4
277.91394	0.4
282.09064	1.3
305.03345	1.0
323.07889	0.5
327.21872	0.5
329.08710	0.4
335.07617	0.8
341.10132	0.9
345.19138	0.5
389.12454	2.3
515.14026	0.8
533.20538	0.9
563.17609	23.2
564.18188	3.4
725.21283	5.7
726.22174	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	725.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.5
59.01110	0.7
59.01386	8.5
61.00671	0.4
67.01905	0.5
68.12063	0.4
71.01378	3.9
71.05032	1.2
71.54564	0.8
73.02952	1.6
77.42044	0.5
79.95737	0.5
83.01394	20.5
85.02957	2.2
87.00901	0.5
93.03471	4.5
95.01402	0.7
96.96028	3.1
99.00896	1.0
99.04523	2.6
99.92605	1.4
101.02445	7.2
108.02185	34.7
109.02474	0.9
111.04452	0.6
113.02458	3.4
116.92864	13.3
117.92970	0.6
121.02954	0.5
123.04537	13.7
124.04872	0.8
125.02444	2.9
132.35091	0.4
133.02972	1.0
134.03787	0.5
135.04549	4.0
136.01671	1.0
137.02484	3.0
143.03517	1.0
148.86292	0.4
149.04675	0.4
150.03261	0.4
152.01167	63.3
153.01498	2.0
153.05577	0.5
155.03540	1.1
161.02469	2.3
161.04549	2.4
164.01198	0.6
165.01852	0.5
167.03511	100.0
168.03831	4.9
173.04579	4.3
177.01988	0.8
178.02678	0.7
179.03508	3.0
183.13881	0.6
191.05623	9.1
192.05914	0.6
193.01321	0.6
193.04842	0.5
223.06062	0.6
227.05475	0.7
231.06584	0.8
245.06680	13.3
250.46021	0.4
269.10358	3.6
311.07837	0.9
329.08923	2.8
335.07724	4.0
342.07098	0.5
353.08884	1.3
353.12442	13.3
354.12790	1.2
357.09772	7.1
358.10123	0.9
371.09760	4.5
395.13287	1.2
401.18472	0.6
477.14056	14.3
478.14310	2.6
497.12866	0.8
515.13934	3.7
516.14392	0.5
564.19226	0.7
645.44867	0.5
725.25378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73903	0.7
51.54575	0.7
59.01381	8.4
59.66114	0.7
61.98833	2.2
65.22213	0.7
69.60428	3.8
71.01387	16.2
71.13568	0.8
73.02943	1.5
75.00883	1.2
76.53513	0.8
80.02680	1.9
81.03465	2.9
83.01405	1.2
83.05022	4.8
84.02173	1.5
85.02969	2.5
87.00906	2.2
88.98800	1.5
89.02457	3.3
93.03462	2.8
95.05022	0.9
95.91574	0.8
96.96024	2.5
97.02969	2.2
98.19937	1.7
99.00866	1.6
101.02455	5.1
109.06599	15.9
110.03733	1.0
110.07006	1.0
110.61796	0.9
113.02467	2.1
119.03522	0.8
121.06602	1.6
125.09766	1.8
135.04520	1.6
135.08191	2.1
145.05089	0.9
161.04579	1.6
161.09764	1.2
163.11295	10.7
164.11710	0.9
165.12820	1.3
171.10283	3.5
173.04538	2.1
179.05725	0.9
181.12367	3.8
185.11847	1.8
191.03992	1.4
191.05624	12.8
191.10779	1.1
197.11803	1.1
199.09691	1.9
199.13391	0.9
201.11342	1.8
207.10272	43.6
208.10638	2.4
209.11839	100.0
210.12167	6.6
218.86438	0.8
225.11336	33.2
226.11734	2.9
227.12891	17.9
228.13153	1.4
228.39787	0.8
229.84787	0.8
231.10336	1.6
235.08275	3.1
235.80441	0.8
243.12344	1.6
253.09300	10.6
255.02943	1.0
284.03278	1.3
299.15115	1.1
399.21854	1.7
417.22778	2.5
429.10605	0.8
440.44745	1.1
443.19067	2.1
461.20380	10.8
462.20474	1.0
635.30798	2.3
651.29797	1.1
653.31830	3.6
654.32050	2.0
671.32892	7.9
672.33356	3.1
681.37598	1.9
725.31158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83978	0.8
57.03466	4.4
59.01383	9.7
59.47295	0.8
61.98840	2.3
62.58666	0.7
63.81192	0.6
66.02366	0.7
69.03429	0.7
71.01385	8.0
73.02949	2.2
75.00883	1.6
78.95924	3.5
80.02653	0.7
81.03451	1.4
83.01398	0.8
83.05042	4.4
85.02957	2.5
87.00900	2.0
89.02463	4.7
93.70889	0.7
95.01423	1.1
97.02956	0.8
97.06609	2.4
99.00842	1.1
101.02471	7.9
109.06575	1.0
113.02479	4.3
119.03475	1.0
123.08210	1.7
125.09715	4.5
139.11276	5.0
141.12846	1.4
145.05061	1.0
152.99590	4.1
154.37653	0.6
161.04601	2.4
163.11290	3.2
165.12868	2.2
167.10797	6.5
171.00702	0.7
171.10295	2.6
181.12320	1.2
185.11844	60.6
186.12170	2.5
196.98415	0.7
201.11353	1.8
205.19627	0.9
207.10046	0.8
209.11841	93.7
210.12175	9.2
225.11314	1.6
227.12897	11.4
228.13194	1.1
229.10805	1.2
235.08177	7.8
253.09306	15.8
254.09633	1.0
275.19977	0.9
277.21738	84.0
278.22092	11.1
279.23306	95.7
280.23615	9.9
288.63281	0.8
335.17599	0.8
347.06448	0.8
445.20508	1.3
447.18503	1.3
465.20111	1.5
471.16458	1.9
489.17657	1.0
707.38287	2.8
725.41180	100.0
726.41626	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29856	0.5
57.03443	3.2
59.01389	7.2
61.98827	0.8
69.03472	0.8
70.58336	1.9
71.01390	5.4
73.02948	0.8
75.00884	1.5
78.95914	1.4
83.01366	0.6
83.05035	1.1
85.02975	2.1
85.38752	0.6
89.02457	3.5
97.06580	1.2
101.02449	4.0
113.02457	1.9
119.03492	1.0
123.08127	0.8
125.09754	3.3
139.11308	2.5
141.12883	2.2
152.99651	1.2
161.04666	0.7
163.11227	1.0
167.10818	4.0
171.10309	2.5
185.11842	100.0
186.12184	5.8
196.85873	0.5
201.11331	1.8
209.11856	21.4
210.12234	2.2
211.09814	0.9
227.12891	2.1
229.10884	1.3
235.08270	1.2
253.09294	6.8
277.21756	29.0
278.22086	3.8
279.23334	12.0
280.23752	1.3
345.80972	0.6
447.18546	1.2
465.19888	3.1
707.38263	0.8
725.41187	73.8
726.41638	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	727.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14802	1.1
58.66684	1.3
59.01379	3.2
65.85263	1.1
70.87086	2.3
71.01399	2.3
78.95921	1.5
83.05027	2.2
85.55418	1.2
96.96021	3.7
101.02437	2.6
104.55595	1.3
119.05028	1.5
124.91431	1.1
134.03763	1.5
135.04572	1.7
165.12846	1.3
173.04607	2.1
191.05583	5.8
201.11346	26.0
209.11835	100.0
210.12190	4.3
224.15964	1.3
227.12924	21.1
235.08217	5.5
253.09258	9.1
265.10608	2.3
375.21808	1.7
437.20490	3.0
445.20932	11.8
446.20877	2.2
463.21967	2.2
611.30371	1.3
629.32202	1.9
637.32019	1.6
659.99719	1.5
673.34930	2.0
727.33411	21.1
728.33612	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	727.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	32.7
61.98832	8.4
67.93377	2.3
71.01389	29.1
71.53806	2.5
72.99294	3.1
73.02951	7.4
74.21146	2.2
78.95926	6.3
83.01398	4.9
85.02958	9.2
87.00861	7.5
88.94052	2.4
89.02457	28.9
97.02960	4.4
101.02451	29.5
113.02470	10.2
119.03520	8.1
125.02469	6.0
152.99500	3.4
161.04610	3.1
171.10284	10.9
179.05470	2.5
191.05721	3.0
209.11928	13.2
210.12199	11.6
216.43161	2.5
220.55695	2.4
235.08205	10.2
253.09273	5.5
269.22049	5.4
269.24866	72.3
270.25208	9.6
271.92508	2.4
277.21780	4.9
279.23297	6.9
280.23526	6.4
287.07880	3.8
305.08832	3.6
364.16599	3.3
397.13528	100.0
398.13931	7.0
415.14572	30.8
416.15576	3.2
667.38959	4.2
727.42828	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	727.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55886	0.3
59.01388	14.1
69.45052	1.4
69.45454	0.7
71.01393	1.7
73.02982	0.4
78.95928	0.4
85.02960	0.5
87.00906	0.3
89.02476	1.0
91.34507	0.3
101.02452	1.4
111.76067	0.3
113.02482	0.6
125.09688	0.5
127.11301	1.7
145.05161	0.3
157.10631	0.4
161.04526	0.5
171.10289	100.0
172.10611	4.9
209.11852	0.5
235.08315	1.9
253.09309	5.9
255.23346	0.4
277.21753	46.3
278.22064	4.7
295.90903	0.4
407.19153	2.7
458.76581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.2
67.75561	0.4
70.82964	1.0
70.83286	0.4
71.01377	2.7
73.02933	0.6
78.95925	0.9
85.02964	0.4
88.50006	0.5
89.02446	1.3
99.00900	0.5
99.66949	0.4
101.02444	1.6
110.66501	0.4
113.02477	1.5
125.09717	0.8
127.11300	1.2
129.93231	0.4
149.96913	0.4
152.99640	0.8
161.04564	0.8
171.10280	86.6
172.10609	4.4
209.11844	1.2
210.12029	0.6
235.08260	3.6
253.09265	7.5
254.09708	0.6
255.23303	1.0
277.21732	100.0
278.22079	11.0
279.23199	1.0
280.23590	0.6
281.24609	0.7
404.94598	0.5
407.19247	1.3
513.30927	1.0
568.83533	0.5
672.09644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	34.9
61.98825	2.2
69.03463	0.6
71.01392	4.5
71.13649	1.0
73.02966	0.7
77.59241	0.5
83.01401	0.5
85.02966	0.8
87.00900	0.9
89.02454	2.5
101.02466	3.2
113.02466	1.7
119.03510	0.7
125.09763	1.0
126.93222	0.5
127.11275	1.9
135.36433	0.5
151.11295	4.0
152.11581	0.6
152.99666	0.6
153.09340	0.5
161.04547	1.3
166.85762	0.8
169.12363	37.1
170.12686	2.0
171.10291	93.8
172.10628	4.7
179.05693	0.9
188.95625	0.5
191.05681	0.8
209.11816	0.9
213.11395	3.8
231.12379	3.3
235.08255	1.1
253.09369	4.5
277.21753	32.7
278.22125	4.1
333.35281	0.6
407.19073	1.6
449.20346	1.5
467.21310	3.3
522.43640	0.5
709.41693	4.6
710.41754	1.6
727.42816	100.0
728.43109	25.5
752.62012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78579	1.0
58.24247	1.0
59.01386	34.9
71.01389	4.3
71.54327	1.6
73.02919	1.1
82.95430	12.8
84.95136	16.1
85.00452	1.2
85.02962	1.8
85.59158	0.9
87.00834	1.1
89.02445	2.6
101.02448	4.0
113.02444	1.7
127.11259	1.8
145.05101	1.0
151.11310	3.5
152.99583	1.0
161.04553	1.5
169.12354	31.9
170.12743	1.5
171.10297	49.4
172.10646	2.8
184.28517	1.0
185.06888	1.2
213.11343	1.5
231.12448	2.2
235.08202	1.8
253.09450	4.5
277.21744	64.5
278.22107	6.5
326.77646	1.1
358.53757	1.2
449.20255	1.5
482.15527	3.4
483.15820	2.5
496.17249	1.3
515.15326	1.9
552.19403	1.2
555.19043	2.3
556.18945	6.7
557.18860	3.9
562.18713	1.0
573.15826	1.6
638.01514	1.2
642.22638	3.3
643.23151	4.7
644.23077	1.7
675.22888	5.2
676.22308	2.3
683.25629	1.9
709.42017	5.1
710.43048	1.3
727.42761	100.0
728.43170	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	729.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95938	2.1
59.01382	30.5
60.99300	5.4
61.98822	11.3
68.99573	29.4
71.01384	14.2
72.99310	2.8
73.02971	4.2
81.03448	4.5
83.05026	4.1
85.02950	9.1
87.00883	5.8
88.98817	22.3
89.02439	7.5
93.03474	13.0
95.05000	3.7
96.96025	18.0
97.02943	13.0
97.06616	3.0
99.00867	7.7
101.02431	8.4
107.04962	3.6
109.06599	35.8
110.03770	2.6
111.04486	3.4
112.98582	25.2
113.02460	4.4
119.05026	5.9
123.08169	2.7
125.02464	2.8
125.09740	9.7
133.02969	3.9
135.04504	5.5
135.08144	7.6
142.02693	3.3
145.02980	3.0
161.04529	3.1
161.09735	3.2
163.04016	2.8
163.11302	22.6
169.46095	2.3
171.10126	4.4
173.04552	7.3
181.12392	14.4
185.11835	10.6
191.05646	32.6
191.55444	2.2
192.05949	3.2
196.93633	2.2
197.11798	3.2
197.75027	2.5
201.11336	10.3
207.10268	100.0
208.10461	6.0
209.11821	12.1
211.13408	4.5
213.14877	2.8
219.13831	3.1
221.11885	4.0
225.11331	79.4
226.11697	5.9
235.08325	4.8
237.11380	4.0
243.12386	5.1
245.26347	2.7
247.09669	3.8
253.09280	9.7
309.20566	3.6
327.23318	4.0
371.22229	10.5
389.23340	26.4
390.23703	5.0
396.58151	2.5
407.24591	12.7
415.21286	4.2
433.22443	2.7
461.20441	18.9
478.72632	3.3
607.31403	15.9
608.31598	3.8
625.30811	9.9
638.48438	2.9
651.30310	31.3
652.30493	6.8
669.31293	54.1
670.31610	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	729.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16984	0.6
53.24570	0.6
55.01868	1.0
55.19962	0.6
59.01387	100.0
60.01706	1.1
69.41846	1.7
69.42249	3.8
71.01385	9.7
73.02959	3.0
78.09138	0.7
83.01394	1.5
85.02958	4.9
89.02450	1.3
95.01420	0.8
96.31308	0.6
99.00924	1.5
101.02441	4.4
113.02467	3.1
161.04538	3.2
188.79567	0.6
241.41403	0.7
262.44623	0.7
262.80228	0.6
315.18121	8.6
316.18738	0.9
327.21906	2.1
357.19376	2.9
385.07706	0.8
430.46704	0.6
534.41406	0.7
725.72510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81421	0.4
59.01385	17.6
61.98851	1.1
69.66885	3.1
71.01394	2.1
78.95914	1.3
87.00893	0.6
89.02455	0.8
98.19949	0.5
101.02448	1.6
103.79306	0.5
104.08035	0.5
113.02493	0.9
127.11324	1.8
135.30550	0.5
152.99593	2.0
161.04640	0.9
171.10289	76.1
172.10670	3.1
174.08246	0.5
181.90311	0.5
197.11859	0.5
229.73901	0.5
235.08270	3.2
253.09320	6.2
255.23364	0.6
279.23303	100.0
280.23657	10.4
281.24963	0.5
407.19424	1.3
515.32269	1.5
726.09125	0.6
729.43927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19558	0.2
59.01382	0.4
61.98837	100.0
64.35978	0.1
64.46221	0.1
69.45377	0.7
69.45791	0.5
71.01398	0.2
79.95757	0.3
80.96521	1.7
83.62341	0.2
94.98090	0.4
96.95995	0.1
124.15903	0.1
148.99193	0.2
152.98621	0.2
164.98685	0.4
171.10219	1.0
172.10660	0.6
173.10812	0.5
219.96169	0.2
223.49280	0.2
225.00739	0.4
229.81059	0.2
277.21750	0.8
278.22104	0.8
279.22391	0.5
399.76471	0.2
551.74591	0.2
731.36853	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	730.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98835	100.0
69.24363	1.5
71.01393	0.3
80.96523	1.3
122.33509	0.2
123.40552	0.2
132.00536	0.2
136.31488	0.2
149.27895	0.2
154.61899	0.2
162.86571	0.2
171.10272	1.9
172.10654	0.7
173.10910	0.2
223.70004	0.2
225.00681	0.4
252.96805	0.2
261.12076	0.2
277.21713	0.4
278.22238	0.5
279.22992	0.4
619.07013	0.2
731.36859	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21191	0.8
59.01377	4.3
60.99017	0.9
60.99316	16.4
87.00891	9.5
87.57778	0.8
88.00408	1.7
88.98818	100.0
89.02454	39.2
89.99165	0.8
95.36359	0.9
114.07599	0.8
139.38715	0.8
171.10286	1.5
287.48010	0.9
352.76614	1.1
433.01816	0.9
433.77319	0.8
438.13443	2.1
439.13937	0.9
467.13702	1.5
481.15247	14.1
482.15811	9.2
495.16690	2.0
496.17157	1.3
497.18301	3.9
498.18378	1.1
514.15021	8.2
515.15082	2.7
540.16681	5.4
541.16766	1.2
555.10370	2.1
555.18903	38.0
556.19299	11.5
572.15631	5.8
573.15918	1.6
641.22675	1.4
642.22955	1.0
659.23645	26.3
660.23645	8.3
731.25787	8.1
731.37451	1.4
732.26038	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2581
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
54.67997	0.7
59.01384	100.0
61.77255	0.7
61.98835	1.5
69.93906	1.8
69.94302	1.2
70.28859	0.7
71.01381	1.1
78.95903	0.9
80.96532	1.2
93.03440	0.9
94.21384	0.7
98.20579	0.9
119.05972	0.6
125.60445	0.6
202.96393	0.7
390.50949	0.8
451.13950	1.1
453.12799	0.9
479.13519	1.0
480.14450	1.1
481.15381	0.8
496.14072	3.7
510.15439	1.6
511.15866	2.1
527.19580	1.5
539.15637	5.1
540.16071	1.0
553.17377	7.5
554.17627	1.7
585.19708	2.8
597.19946	3.3
598.20746	10.9
599.21088	2.6
616.18445	2.3
630.19672	8.5
631.19983	1.8
656.23193	1.0
657.21802	1.1
671.23773	15.8
672.23828	4.4
731.25787	79.9
732.25995	27.3
732.38885	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	731.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.91902	1.8
61.98817	6.5
75.04428	2.2
77.37491	1.7
78.95924	2.4
81.05540	1.9
83.64328	2.2
88.98793	3.6
89.02428	2.6
91.51833	1.9
112.99076	1.8
277.21762	3.1
285.03754	2.9
496.14267	3.5
539.15753	7.1
540.15906	3.0
553.17438	8.0
554.17291	2.4
585.19910	4.4
597.20270	3.1
598.20819	7.3
616.18402	3.5
630.19525	6.2
631.20764	2.5
671.23969	16.6
672.23572	5.5
731.25720	89.0
731.35297	3.3
732.26080	31.8
732.38544	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	731.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80118	0.8
55.01888	1.9
55.92706	0.8
57.03448	1.9
58.00591	1.8
59.01385	100.0
60.01722	1.0
66.60593	0.8
67.01889	1.0
69.03468	1.7
71.01389	46.0
72.99313	2.2
73.02565	1.2
73.02955	19.7
75.00829	0.8
83.01387	5.5
85.02962	13.7
87.00880	3.1
89.02454	37.8
93.03477	5.1
95.01397	3.9
96.96021	16.2
99.00877	1.7
101.01804	1.6
101.02460	30.6
102.05608	1.1
113.02460	27.2
119.03529	18.8
128.03545	1.8
131.03505	3.5
133.55879	0.8
134.03729	1.5
136.01651	1.0
136.88969	0.9
137.02496	4.7
143.03523	5.7
149.04567	1.9
151.04005	1.3
155.03471	1.0
161.02487	0.9
161.04550	8.4
171.10307	0.9
173.04555	4.3
179.05580	10.7
180.05948	1.0
191.05621	3.8
207.98831	0.9
273.24808	0.9
357.02853	0.9
375.27454	1.2
465.28452	2.9
627.23071	1.9
627.33856	40.0
628.34192	7.6
645.34943	28.8
646.35504	6.1
687.35675	12.8
688.35687	3.5
712.41382	0.9
731.39050	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	731.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48095	1.9
59.01390	11.2
61.98841	30.7
67.01901	2.5
69.84194	2.0
71.01392	8.8
72.00188	2.1
73.02968	2.4
78.95947	2.3
83.05045	7.6
85.02972	3.7
87.00880	3.5
89.02467	2.3
89.41666	2.4
93.03457	8.2
94.93626	1.9
96.96015	51.8
97.02974	6.5
99.00897	6.9
101.02454	4.5
109.06580	4.1
111.47662	2.0
112.98565	3.8
113.02445	4.4
125.09684	2.6
128.75198	2.3
135.04547	2.3
150.63707	2.0
163.04033	2.5
163.11316	10.5
171.10275	5.1
173.04599	4.1
174.05074	2.4
175.03876	2.1
181.12358	10.5
191.05602	23.0
197.11967	2.1
201.11340	3.6
207.10283	39.4
209.11841	100.0
210.12128	4.3
223.13428	12.7
225.11348	60.3
226.11703	3.4
227.12909	17.1
243.12325	6.8
246.23933	2.4
253.09294	7.6
255.03151	2.3
283.02484	2.9
300.12619	2.2
438.41156	2.3
443.19583	2.5
459.06909	2.6
461.20468	15.2
462.20398	3.7
477.15396	4.9
635.30194	4.0
653.31824	16.2
671.32935	15.6
672.33289	3.6
687.32202	3.4
713.35223	2.9
731.24268	3.3
731.35657	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	732.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28424	0.1
59.01373	0.2
61.98837	100.0
62.98526	0.2
70.54928	0.2
70.55278	0.1
71.01411	0.2
85.02953	0.1
91.83730	0.1
93.03468	0.2
96.96028	0.4
109.06635	0.1
121.14668	0.1
134.99883	0.1
163.11311	0.1
171.10355	0.2
191.05608	0.5
195.70380	0.1
197.11916	0.4
207.10329	0.2
209.11978	0.1
215.77467	0.1
225.11433	0.3
236.38152	0.1
385.25665	0.1
555.43573	0.1
641.32104	0.1
653.31250	0.1
745.59119	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53604	1.1
59.01389	7.9
61.98822	2.5
70.02145	4.0
71.97836	1.1
77.13645	1.0
78.91897	4.2
82.84570	1.0
92.79619	1.1
93.54173	1.0
93.54884	1.0
306.58255	1.2
306.64075	1.1
427.13989	1.1
438.09665	1.9
442.16315	2.0
452.11343	1.3
453.12015	1.7
455.17404	8.3
456.17776	2.7
457.18860	17.4
458.19229	5.1
459.16660	1.3
469.11496	4.0
470.16245	1.8
473.18408	11.5
474.14847	5.3
481.12134	1.6
483.12579	2.0
485.18768	5.4
496.13831	7.1
497.14548	2.5
502.14725	1.3
511.15909	11.9
512.13190	22.6
513.13647	8.3
513.20392	1.3
526.14923	16.5
527.15674	19.6
528.16180	4.7
529.16559	1.6
539.19843	1.6
555.18286	1.7
560.15179	2.4
577.27148	1.3
583.18500	10.3
584.18628	2.9
597.20032	4.9
598.19611	1.7
599.21729	9.9
600.20404	2.2
613.19446	1.5
614.20221	100.0
615.20673	45.0
616.21472	5.0
629.22632	2.5
645.21857	2.5
646.19348	13.9
647.19556	5.8
673.21625	6.7
674.20966	1.7
733.23706	4.5
734.23505	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15835	0.4
53.86223	0.4
59.01385	100.0
59.62100	0.4
60.01724	0.5
61.98852	0.9
69.46053	0.4
69.51842	0.9
69.52259	1.8
71.01373	0.5
78.95930	0.8
79.61069	0.4
80.96521	2.1
82.96115	0.5
94.98119	0.5
96.96030	0.5
98.19874	0.4
152.99670	0.6
164.18185	0.4
171.10318	0.4
200.62027	0.4
237.14909	0.9
255.23352	0.9
264.23007	0.4
277.21729	1.3
367.79871	0.5
441.19324	1.7
482.16098	0.5
498.15536	2.7
499.15750	1.1
512.17206	2.0
572.18982	1.0
587.21643	0.9
588.21411	0.4
600.22314	33.1
601.22528	10.0
604.18054	0.6
632.21240	4.5
633.21527	1.1
659.24011	0.5
673.25189	1.8
674.25122	0.7
732.36957	1.0
733.27118	26.2
733.37769	2.0
734.27496	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	733.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83594	1.3
59.01393	5.4
61.24467	1.1
61.98839	70.7
66.37762	0.9
70.54831	3.2
70.99539	1.1
71.01390	3.4
79.95728	2.8
80.96538	2.4
81.03482	1.4
82.95428	3.2
83.05036	3.3
85.02953	3.7
87.00906	1.2
89.02475	2.3
92.94099	0.9
93.03469	4.4
96.13158	1.0
96.96031	22.2
101.02453	2.3
107.01470	1.0
112.98606	1.0
113.02476	2.0
125.09751	3.4
127.04063	1.1
129.56078	1.1
133.02956	1.3
137.02440	1.9
143.19147	1.0
151.00388	1.2
161.04549	1.1
163.11217	2.5
165.12883	1.8
170.56462	1.1
171.10301	2.5
173.04549	2.5
177.77615	1.1
191.05627	23.9
191.10771	1.2
192.05943	1.3
195.74706	1.1
209.11852	100.0
210.12184	8.1
225.11349	1.2
227.12878	10.6
228.13234	1.5
235.08319	1.7
242.14795	1.1
249.09259	1.9
253.09319	6.0
255.02977	2.6
257.08362	1.2
261.10547	1.1
283.02402	2.5
284.03201	2.5
285.03897	8.1
288.94131	1.0
308.03110	1.2
381.09647	1.4
403.15405	1.4
444.04919	2.1
445.20847	1.8
459.07227	9.7
460.07217	1.0
509.97458	1.1
541.11505	3.6
542.11078	1.6
697.15546	2.7
698.16473	1.6
709.84186	1.2
733.28162	3.0
733.40155	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	734.325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.61537	0.1
62.98552	0.2
70.84377	0.3
75.94880	0.2
93.03541	0.2
95.46914	0.1
96.96028	0.2
117.08763	0.1
147.05843	0.1
209.11919	0.3
442.60181	0.1
587.08319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71332	0.2
59.01381	0.7
61.98837	100.0
62.98536	0.2
71.01395	0.4
77.08385	0.2
80.96535	0.3
82.95441	0.3
83.83201	0.2
85.02999	0.4
88.06664	0.2
93.03489	0.5
96.96018	1.6
99.00935	0.2
116.92905	0.4
125.09798	0.2
125.51620	0.2
146.46736	0.2
171.10312	0.2
173.04649	0.3
191.05617	1.7
192.05925	0.4
194.32852	0.2
197.11880	0.6
209.11844	2.0
210.12151	0.8
227.12952	0.4
253.09509	0.2
273.17175	0.2
285.03952	0.4
311.23697	0.2
734.37720	0.8
735.28528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	0.7
59.01387	22.2
60.90782	0.7
61.98848	4.5
65.00330	1.5
67.01871	1.2
71.01392	12.1
71.55014	1.2
72.99315	1.0
73.02953	4.6
79.95694	0.8
82.03008	1.0
83.01400	2.1
83.05013	0.9
84.04581	2.5
85.02964	5.2
87.00877	3.6
89.02458	2.5
93.03472	7.2
96.96024	10.1
97.02961	0.8
99.00890	0.7
101.02445	6.2
102.05620	13.3
105.26311	0.7
107.01405	1.8
109.02946	0.7
111.04569	0.9
113.02446	3.5
116.54552	0.7
119.05038	2.1
121.02951	0.8
121.10261	1.1
122.31352	0.7
124.01649	0.7
125.02468	1.1
128.03560	33.8
129.01814	0.7
129.03938	0.9
133.02968	8.4
134.03746	1.3
135.04546	3.2
137.02429	1.7
146.04565	3.9
147.78044	0.7
149.02426	1.2
151.00348	4.7
155.03522	0.7
161.02464	1.7
163.03967	1.5
171.04387	0.9
171.10207	1.1
173.04608	6.9
175.04025	2.6
178.02795	0.9
179.03540	1.2
191.05615	17.9
199.03964	1.7
199.13422	2.0
209.11894	3.9
210.12175	1.0
213.05629	0.9
241.05101	0.7
255.03062	3.7
256.03391	1.6
283.02426	2.4
284.02927	2.3
285.04074	100.0
327.25436	2.3
339.25375	4.2
352.07980	1.0
357.26535	7.7
358.26773	1.1
424.30713	0.9
442.31744	2.1
449.14691	4.1
501.30838	4.0
519.31763	9.3
520.32117	1.7
561.32855	12.1
562.33270	2.3
586.36273	0.9
604.37006	3.0
646.37866	1.3
648.35754	2.2
672.36176	4.0
673.36890	0.9
690.37109	98.0
691.37305	23.8
703.31781	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	734.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08348	0.5
55.01906	0.6
57.03461	0.9
59.01387	15.5
61.98842	3.1
62.15219	0.5
65.00322	1.1
67.01898	1.0
68.99854	0.6
71.01386	6.3
71.05019	0.7
71.54308	0.4
71.54696	0.8
72.99297	0.5
73.02937	3.1
74.02493	0.6
75.00888	0.5
80.96518	0.8
83.01403	1.9
84.04560	1.9
85.02953	4.0
87.00887	2.3
89.02467	1.7
93.03452	4.6
96.96026	7.3
99.00936	0.9
101.02444	4.6
101.75267	0.6
102.05618	9.0
107.01415	2.7
108.76152	0.6
109.03011	0.8
111.04591	0.9
113.02448	3.3
119.03548	0.6
119.05034	1.9
125.02467	1.4
128.03558	23.9
129.03934	1.1
133.02968	11.2
134.03757	0.9
135.04544	3.2
137.02495	1.6
137.28244	0.5
146.04602	2.3
149.02463	0.9
151.00346	3.4
155.03470	0.7
157.55650	0.5
160.01636	0.8
161.02446	1.0
163.04053	1.2
165.35532	0.5
171.10178	0.7
172.37268	0.5
173.04587	7.6
175.03996	2.5
179.03508	1.5
181.12515	0.8
191.05624	15.7
192.06035	1.2
198.21468	0.7
199.04016	2.2
199.13438	1.3
209.11833	3.0
217.05013	1.1
225.11366	0.6
241.05032	0.6
255.02969	3.8
256.03403	1.1
257.08377	0.7
275.09338	0.8
283.02490	2.3
284.03000	1.3
285.04071	100.0
309.24338	0.9
327.25388	1.3
339.25403	4.2
357.26511	6.0
386.98508	0.6
424.30792	0.8
442.31894	1.7
449.14429	4.5
501.30835	2.7
516.29016	1.0
519.31744	5.3
520.32074	0.7
561.32898	10.4
562.33185	1.6
604.37225	1.4
648.35883	1.9
672.35986	3.2
690.37079	79.2
691.37408	18.5
703.31787	1.3
735.34357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	11.8
61.98839	22.3
69.17203	100.0
69.62579	12.5
76.17113	12.3
78.95914	23.0
79.61751	11.5
80.96502	12.8
92.17335	10.4
152.99675	18.9
255.23196	55.5
274.27856	15.0
296.78363	11.8
303.79333	11.7
305.32373	13.4
389.39255	12.8
699.42981	16.1
735.39844	72.7
744.85547	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	735.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10770	1.9
53.17384	2.3
57.18990	1.8
59.01402	9.0
61.98836	10.0
64.63135	1.6
71.01389	75.8
71.08140	3.3
73.02953	2.3
74.06053	1.7
74.78214	1.6
78.95926	4.0
81.03476	1.8
85.02937	2.5
89.02442	2.7
99.00837	2.0
101.02457	4.5
109.06561	2.3
109.53236	1.8
162.84973	1.8
171.10292	47.7
177.12848	2.0
181.12320	2.5
199.09764	7.2
201.11346	6.5
207.10202	7.3
217.57419	1.8
221.11884	14.8
225.11349	6.3
235.08173	5.7
239.12872	5.9
244.71642	2.0
253.09242	8.6
255.23320	100.0
256.23593	10.2
277.21765	16.1
279.23633	2.3
312.83151	1.9
511.70633	2.0
699.42938	2.7
717.44324	3.8
735.45923	12.7
736.45197	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	736.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
61.98836	100.0
62.98547	0.3
69.40965	0.3
71.01398	0.8
71.54902	0.3
80.96531	0.6
85.02975	0.7
87.00913	0.4
93.03465	0.9
96.96015	2.6
98.95566	0.3
106.65511	0.3
116.92855	1.6
117.92909	0.4
147.62003	0.2
169.78192	0.2
171.10304	0.3
173.04619	0.7
191.05647	5.2
192.06049	0.5
209.11916	0.9
249.09265	0.4
332.38846	0.3
373.06119	0.2
515.70587	0.3
540.85651	0.3
692.38464	0.4
693.38989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98836	100.0
62.98532	0.1
71.01381	0.1
71.30650	0.1
71.54388	0.1
78.93699	0.1
80.96539	0.1
85.03004	0.1
91.69604	0.1
96.96017	0.2
99.00892	0.1
126.50867	0.1
162.12314	0.1
165.72328	0.1
191.05617	0.5
197.99001	0.1
209.11900	0.3
638.43030	0.1
736.30072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84861	0.1
59.01393	0.2
65.63978	0.1
67.07185	0.1
69.80994	0.5
71.01395	0.2
78.95911	1.4
79.95745	3.9
85.02933	0.1
93.03466	0.2
96.77557	0.1
96.96023	100.0
97.95955	0.3
98.19930	0.1
99.19707	0.1
113.02438	0.1
133.03027	0.1
134.03723	0.1
136.01677	0.1
137.02412	0.2
145.02972	0.2
173.04547	0.2
191.05598	0.8
307.08255	0.2
357.09668	0.1
413.12299	0.2
427.28326	0.1
477.14276	0.1
737.17682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23313	0.4
57.03451	0.6
59.01371	1.9
69.44769	2.3
69.45182	1.0
71.01383	4.0
72.40363	0.4
73.02962	0.9
85.02962	4.4
85.27637	0.4
87.00896	0.8
89.02435	1.0
91.65708	0.4
93.03482	2.5
93.25565	0.5
96.96021	3.5
98.95582	0.6
101.02441	2.1
111.04517	0.6
113.02463	1.4
117.03471	1.0
119.05045	1.0
120.99746	0.4
123.04482	0.5
127.04015	0.7
134.03685	1.0
135.04649	0.4
145.03012	2.3
151.03909	0.5
161.02420	0.6
161.04611	1.4
163.04051	1.0
173.04543	1.2
175.03958	0.8
188.10440	0.4
191.05629	40.3
192.05959	1.9
197.06100	1.6
225.05592	7.8
226.06366	57.9
227.06754	3.9
238.06413	1.0
240.07925	4.1
241.08717	100.0
242.09076	7.8
250.10043	1.3
251.07195	1.1
252.07999	1.0
253.08838	0.8
280.07425	1.3
295.09811	3.3
337.09259	8.7
337.15277	0.9
338.09570	0.8
339.08789	1.8
369.13501	3.2
403.13977	5.3
413.12204	0.6
446.44043	0.5
575.17725	4.6
737.22479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35064	0.4
59.01387	1.7
59.45209	0.4
71.01391	3.7
71.04995	0.8
72.02223	0.3
72.99313	0.3
73.02942	0.8
81.50150	0.3
85.02964	3.1
87.00874	0.5
87.88781	0.3
89.02498	0.6
93.03475	2.2
96.96015	2.7
97.02941	0.4
98.95571	0.9
99.00899	0.4
101.02447	1.3
105.77010	0.3
109.02897	0.3
111.04498	0.6
113.02459	1.2
113.97089	0.3
117.03453	1.2
119.05021	1.0
125.02424	0.4
127.03998	0.6
128.03487	0.4
134.03745	1.0
137.02509	0.5
143.05063	0.5
145.02960	2.5
151.04010	0.4
154.84526	0.3
158.03751	0.5
158.08156	0.3
159.04474	0.5
160.01698	0.6
161.02441	0.4
161.04562	1.4
163.03990	0.9
169.06633	0.3
171.03102	0.4
171.04457	0.4
173.04536	0.9
175.03989	0.4
177.01956	0.5
187.03932	0.3
191.05627	31.6
192.06020	1.5
193.05023	0.4
197.06136	1.3
225.05585	7.7
226.06361	63.0
227.06721	5.4
235.08064	0.3
238.06401	0.7
240.07903	4.2
241.08717	100.0
242.09045	9.0
249.05472	0.5
250.10146	0.5
251.07068	1.0
252.07832	0.9
253.08629	0.6
254.09512	0.5
267.10233	1.0
279.06616	0.8
280.07358	1.3
295.09775	3.2
331.10199	0.3
337.09311	6.1
337.15176	0.8
338.09653	0.9
339.08749	2.6
369.13538	4.0
403.13980	5.6
404.14441	0.7
419.94202	0.3
575.17767	5.3
576.17773	1.5
737.24658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55476	0.6
59.01401	3.4
61.98836	5.6
63.96256	1.7
69.03484	1.4
70.68415	2.1
71.01392	9.1
73.02942	2.7
75.29452	0.6
78.98602	6.8
79.95747	16.9
80.96529	83.5
81.03456	1.0
83.05031	1.4
85.02961	5.0
87.00909	4.4
89.15071	0.7
93.03450	3.0
94.97492	1.3
94.98096	19.2
96.96027	21.5
97.02956	2.2
99.00883	1.4
101.02460	4.3
106.98124	3.8
111.00851	2.8
113.02465	0.8
113.92838	0.7
122.97621	3.8
125.02477	3.7
126.67260	0.7
127.03987	1.8
134.97597	5.4
136.99132	0.9
146.71277	0.7
148.99181	6.9
152.98657	6.4
161.04553	0.8
163.11330	0.9
164.98645	13.5
167.00285	0.9
167.03627	0.9
171.10254	3.1
173.04573	3.2
191.01991	2.1
191.05623	10.4
197.11816	2.7
201.05927	0.7
206.99719	4.0
209.11850	12.7
215.12875	4.0
225.00766	28.3
226.01007	1.0
227.12915	1.9
253.09393	1.1
283.05008	1.3
285.04132	2.1
307.28149	0.7
509.17090	4.8
632.76001	0.8
737.30676	100.0
738.18201	1.2
738.30939	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	737.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93126	1.0
57.53953	1.0
59.01388	8.5
61.98839	38.1
71.01402	6.7
73.02943	1.8
75.00893	1.1
80.02684	1.8
80.96526	2.6
81.03444	1.5
83.01363	1.0
83.05052	4.7
85.02950	3.6
87.00861	1.6
89.02457	2.3
93.03442	4.3
96.96020	11.7
98.19909	3.0
101.02442	3.3
113.02439	1.8
135.04436	1.5
140.01164	1.0
161.04611	1.1
163.11328	3.1
165.12898	1.4
169.12383	3.4
171.10316	2.5
173.04523	3.9
181.12331	1.1
183.00700	1.1
191.03979	1.9
191.05624	18.9
191.10841	1.0
206.79240	0.9
209.11845	100.0
210.12111	6.2
227.12906	13.4
228.13281	1.6
235.08217	1.5
253.09358	5.8
390.17917	1.0
422.82837	1.0
445.20868	3.3
449.14597	1.1
549.71887	1.0
622.24152	1.1
633.38580	2.3
651.39954	2.2
693.39685	1.2
737.30292	4.1
764.94501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74681	0.4
57.03452	0.7
58.76077	0.4
58.79237	0.3
59.01385	6.6
61.80840	0.4
69.03464	3.4
69.47103	0.4
70.67249	1.1
70.67612	0.6
71.01385	4.4
71.05043	2.0
73.02968	0.8
83.01418	0.8
83.05018	0.7
84.02144	0.4
85.02982	1.0
85.65574	0.4
87.00890	0.5
89.02453	2.6
97.02945	0.7
97.06573	0.7
99.00873	0.7
101.02454	4.5
111.04519	0.7
113.02490	1.3
119.03504	0.8
123.08159	1.0
125.09751	2.0
151.11345	1.8
153.12868	1.6
161.04543	0.8
161.09737	2.5
169.12346	1.6
171.10297	0.4
179.10789	6.9
197.11847	88.6
198.12180	4.9
205.08673	1.1
205.19101	0.4
223.09732	1.7
225.11414	0.3
235.08151	0.5
241.10847	3.8
253.09265	3.4
277.21753	28.4
278.22134	3.5
293.14957	0.4
337.16959	0.4
340.09595	0.4
354.06519	0.4
382.45551	0.4
459.18854	1.0
477.19974	3.3
498.78757	0.4
719.40289	1.5
737.41211	100.0
738.41583	27.6
738.55170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36654	0.8
57.03472	0.8
59.01397	5.6
61.98833	1.0
63.53190	0.8
69.03468	4.3
69.94732	3.9
71.01399	4.2
71.05039	1.2
73.02957	1.2
85.02962	1.1
89.02438	2.1
97.06615	0.9
101.02451	3.7
110.03779	0.8
116.19144	0.8
123.08170	1.1
125.09653	1.4
131.57574	0.8
151.11270	2.3
161.09718	2.9
169.12354	2.4
179.10750	6.3
197.11847	42.4
198.12192	2.3
223.09734	1.3
241.10812	1.8
253.09236	2.8
277.21738	54.1
278.22092	5.6
288.95358	0.9
389.44250	0.9
409.78229	1.0
477.19739	2.3
682.37201	1.0
703.71356	1.0
737.41223	100.0
738.41510	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79473	9.6
59.01367	30.1
61.98834	22.7
69.53971	47.9
72.73566	10.2
75.96914	12.3
78.95908	44.2
80.96512	10.9
152.99550	28.1
209.11850	86.0
227.12862	22.8
235.08080	13.5
255.23332	100.0
256.23749	9.8
263.54575	11.1
279.23254	53.3
356.09213	12.2
388.57559	10.6
432.15158	11.1
480.29486	10.9
491.32150	13.8
737.41699	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.6
60.01720	0.2
72.75993	0.2
72.93256	0.2
81.03466	4.9
83.05035	12.6
84.05369	0.2
104.22331	0.2
107.06191	0.2
108.04518	0.3
125.07231	0.9
126.05623	0.3
143.08249	0.3
147.88324	0.2
207.15034	1.0
208.15567	0.2
224.17693	1.9
225.16101	11.1
226.16423	0.7
242.18726	0.5
268.16653	0.3
309.21814	0.7
324.26541	0.5
333.23013	0.4
341.29153	0.7
367.27139	1.1
433.31830	0.7
450.34558	1.0
451.32919	5.8
452.33139	1.1
550.43317	0.7
565.44537	0.5
593.43890	0.4
624.99103	0.2
659.48669	1.5
660.49200	0.3
677.49738	100.0
678.50061	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98837	100.0
62.98559	0.2
66.68870	0.1
67.41599	0.1
71.01391	0.4
75.56519	0.1
78.41005	0.1
79.67888	0.1
87.00926	0.1
89.02441	0.4
101.02464	0.3
113.02501	0.2
125.02452	0.1
209.11891	0.3
235.08211	0.1
277.21835	0.4
278.22110	0.6
279.22504	0.3
293.21054	0.1
397.13651	0.3
398.13770	0.5
399.14053	0.7
400.14478	0.3
416.15259	0.1
417.15359	0.3
418.15567	0.1
618.94482	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98837	100.0
62.98534	0.3
70.75599	0.2
70.75966	0.1
71.01382	0.6
71.31010	0.1
84.62904	0.1
85.61433	0.1
87.00902	0.1
89.02470	0.4
94.79544	0.1
97.02954	0.1
101.02470	0.4
102.02779	0.1
109.26185	0.1
113.02479	0.2
161.04611	0.1
163.11264	0.1
207.10355	0.1
209.11856	3.3
227.13051	0.3
235.08287	0.2
237.08748	0.2
253.09410	0.5
262.82214	0.1
266.07242	0.1
275.20145	0.3
277.21844	0.3
278.22147	0.6
279.22842	0.4
293.21243	1.8
397.13733	0.5
398.14078	0.4
399.14053	0.7
400.14386	0.3
416.14539	0.1
417.15216	0.4
522.31488	0.1
749.89496	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	739.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55259	0.3
58.66824	0.4
59.01381	1.7
61.98813	0.6
69.21044	1.6
69.21472	2.2
69.31968	0.3
71.01389	1.2
73.02946	0.5
77.61414	0.3
79.95744	16.3
80.96516	2.8
83.01406	1.1
85.02956	1.1
87.00895	0.6
89.02454	0.6
93.03460	3.8
94.98103	0.6
95.01419	0.4
95.95239	30.8
96.96021	100.0
97.95914	0.4
97.98022	0.4
101.02458	0.9
102.14415	0.4
108.02171	1.3
109.02951	1.1
110.97585	1.5
111.00883	1.0
113.02452	0.9
119.05030	0.8
122.97600	3.8
123.00901	1.5
123.04559	0.8
124.01675	1.2
125.02461	0.6
127.00316	0.9
133.02931	0.6
134.03767	0.4
135.04536	1.4
136.98804	0.7
137.02475	4.3
138.03241	1.0
139.00374	3.4
139.04034	2.1
141.95793	0.6
145.02968	1.8
149.02464	0.5
152.01176	2.5
153.01929	1.5
153.05624	0.5
154.02676	0.4
161.02444	1.2
162.03291	1.8
163.03979	0.9
163.68225	0.4
165.01917	1.4
166.02745	1.0
167.03519	3.0
173.04570	2.6
175.03984	0.7
176.01157	0.7
177.01935	2.6
177.05612	1.6
178.02695	1.9
178.06378	0.5
179.03455	0.9
180.04219	1.0
181.05122	0.9
189.01967	0.5
191.03741	0.7
191.05615	5.8
192.04271	1.5
192.05885	0.5
193.05026	4.3
195.06609	1.5
201.71706	0.5
203.03514	1.7
204.04161	1.5
207.06645	1.5
213.01270	0.4
218.05904	2.3
219.06531	0.6
223.06183	0.4
225.07678	0.7
233.04622	0.6
241.08681	0.4
247.96715	0.4
273.00690	0.5
275.02359	0.6
288.03113	4.2
289.03702	1.4
305.03369	4.8
343.08267	1.5
355.08185	1.0
358.10596	5.3
359.11002	0.9
373.12958	9.4
374.13394	0.9
400.11633	0.5
403.09738	0.7
403.14154	1.2
418.12793	1.8
433.15060	11.6
434.15436	1.5
450.12393	0.4
531.84790	0.4
567.60791	0.5
739.19183	48.4
740.19458	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	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
56.04849	1.2
59.01382	10.0
61.98825	1.5
66.51685	1.1
71.01395	12.8
73.02959	2.9
82.57885	1.1
83.05030	2.4
85.02956	2.2
87.00871	2.8
89.02435	4.7
97.02945	2.4
99.00909	8.5
101.02453	4.5
109.06605	5.2
113.02441	3.0
119.03564	1.6
123.08099	1.6
125.09711	4.6
127.11246	1.7
134.38647	1.3
134.43414	1.3
137.09775	1.8
155.10826	1.4
161.04625	1.4
163.11293	7.8
164.20604	1.2
171.10281	30.1
179.10782	1.7
181.08681	1.7
181.12340	8.4
184.17773	1.4
189.09222	1.6
197.11806	3.4
199.09801	14.4
199.13390	3.1
201.11317	9.2
207.10277	37.0
208.10629	1.4
215.12903	6.6
225.11349	53.0
226.11755	3.5
235.08192	3.6
243.12486	7.8
253.09328	12.1
277.21738	100.0
278.22153	10.7
279.23083	1.9
395.13260	1.4
435.18695	2.5
443.19308	3.7
461.20056	8.2
462.20645	2.2
479.21100	2.3
695.40106	4.3
721.41608	11.8
722.42163	3.1
739.42566	41.4
740.43048	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	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42704	0.6
55.46634	0.6
57.03449	1.0
58.00610	1.4
59.01385	13.7
60.57207	0.6
61.49316	0.5
61.98832	1.0
69.03465	0.8
71.01011	1.2
71.01393	14.1
71.05026	2.2
73.02959	2.0
78.95908	1.5
79.95747	2.7
83.01393	1.6
83.05031	0.7
85.02952	2.6
85.88265	0.7
87.00886	2.1
89.02456	5.1
94.98065	0.6
95.05058	0.8
96.96021	71.5
97.02970	5.3
97.06596	2.0
99.00895	14.8
101.02444	7.1
109.06607	3.0
110.03777	0.8
111.04552	1.0
113.02460	3.3
119.03501	1.2
123.08189	1.8
125.09749	7.2
127.11285	1.9
135.08183	1.1
136.05356	0.7
142.02663	1.2
145.05122	0.7
145.10184	0.7
149.09726	0.9
153.12854	0.9
161.04570	2.1
161.09715	1.3
163.11320	9.6
163.75806	0.6
171.10286	21.6
172.10699	1.3
179.10680	0.7
181.12361	17.8
182.12654	1.1
186.94733	0.6
189.09264	1.0
197.11847	2.5
199.09755	1.2
199.13420	27.8
200.13747	1.4
201.11388	7.0
207.10278	40.9
208.10637	2.4
209.11833	1.1
215.12898	1.5
223.09828	1.1
225.11342	78.4
226.11670	5.2
235.08295	3.9
243.12383	14.1
253.09258	11.1
253.61848	0.7
277.21747	92.8
278.22079	9.4
279.23138	1.7
329.35815	0.6
443.19012	2.1
461.20322	12.2
462.20798	0.9
479.21213	2.7
504.85443	0.7
721.41205	6.5
722.41718	2.1
739.42767	100.0
740.29834	1.2
740.43115	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95641	0.7
54.63824	0.6
55.01883	1.0
59.01374	6.2
59.68341	0.7
63.93973	0.7
70.69430	2.0
71.01392	7.7
71.05021	2.8
73.02948	1.3
80.86130	0.7
83.01417	1.0
83.05030	1.4
85.02934	1.4
87.00867	1.5
89.02457	2.4
95.05062	0.8
97.02946	3.3
97.06602	2.1
99.00893	10.3
101.02443	3.8
103.23452	0.7
109.06590	1.5
110.03762	0.7
113.02454	2.2
123.08154	1.0
125.09723	6.2
127.11170	1.1
135.08156	0.8
161.04587	1.3
163.11290	8.7
171.10297	4.9
172.10706	0.7
181.12347	11.4
197.11842	1.3
199.13408	11.7
201.11345	1.2
201.86816	0.7
207.10286	26.5
208.10619	1.2
225.11333	46.0
226.11717	3.2
235.08220	2.5
243.12379	6.6
253.09280	4.6
277.21744	67.3
278.22110	7.8
461.20334	7.9
479.21255	1.4
550.88556	0.7
721.41724	7.1
722.42249	1.7
739.42780	100.0
740.43152	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	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
59.01391	7.6
61.98845	5.5
63.19891	0.8
66.15663	0.6
69.03451	3.6
71.01391	7.3
71.05018	2.0
73.02948	0.8
78.95898	1.1
81.03465	0.7
83.01403	1.1
83.05029	0.8
85.02972	1.4
87.00875	0.9
89.02464	2.2
99.00895	0.9
101.02454	4.2
113.02473	2.1
119.03535	1.1
120.31369	0.7
123.08181	1.0
125.09704	2.5
131.45241	0.8
142.31270	0.6
149.09738	0.9
150.00732	0.7
151.11272	2.6
152.99565	0.9
153.12857	2.1
161.04601	1.3
161.09734	3.4
163.11278	0.9
171.10275	2.8
179.10741	5.9
194.93925	0.7
196.83714	0.7
197.11853	87.2
198.12170	5.5
201.11342	1.2
205.08815	1.2
207.10240	1.3
207.53027	0.8
223.09767	2.3
225.11366	2.4
229.09645	0.8
241.10873	3.6
253.09328	4.0
277.21704	7.4
279.23331	38.5
280.23541	4.2
335.25958	0.8
431.26724	1.0
459.18692	0.9
477.19727	1.8
479.96542	0.8
543.54120	0.9
548.14447	0.8
721.41296	1.2
739.42798	100.0
740.43170	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	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03462	0.9
59.01387	5.9
60.64320	0.5
61.98827	2.8
69.03465	4.6
71.01385	5.9
71.05022	1.8
73.02953	1.5
78.95908	0.5
83.01377	0.5
85.02982	1.2
87.00887	1.4
89.02469	2.9
95.01353	0.5
97.06596	0.7
101.02437	3.6
107.51849	0.4
111.00859	0.5
113.02490	1.3
119.03468	0.5
123.08173	1.1
125.09713	2.2
149.09694	0.6
151.11298	3.4
153.12872	1.0
161.04555	1.2
161.09731	4.1
171.10298	0.7
179.10797	9.1
180.11243	0.5
195.41225	0.4
197.11845	42.1
198.12135	2.4
207.10271	1.0
222.76668	0.5
223.09723	1.0
225.11314	1.0
235.08209	1.3
241.10910	2.4
253.09363	2.4
277.21622	2.7
279.23303	68.5
280.23676	5.9
383.15723	0.5
459.18774	1.1
461.19986	0.5
463.70654	0.5
477.19724	1.2
621.39020	0.5
721.41333	1.0
739.42749	100.0
740.43109	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	739.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02420	0.8
55.01885	0.9
57.03443	1.6
58.00600	0.9
59.01389	12.9
61.98829	2.9
62.14379	0.8
69.03473	0.8
69.68973	0.7
70.09503	3.2
71.01396	11.2
72.62115	0.7
72.99285	1.0
73.02955	3.4
83.05030	1.9
85.02950	3.5
87.00893	2.1
89.02460	3.2
93.03432	0.9
95.05059	1.9
96.96004	0.8
97.02969	2.3
97.06631	0.8
98.20351	1.8
99.00888	1.0
101.02442	5.7
109.02975	0.9
109.06606	5.4
110.03703	1.1
111.00880	1.1
113.02427	2.6
119.03482	1.3
125.09737	1.6
127.11321	1.9
135.08131	0.8
143.03493	1.7
153.08939	0.7
155.10860	1.1
161.04585	1.5
163.11302	5.3
165.09204	1.2
171.10287	73.2
172.10622	3.8
173.49759	0.8
179.05634	1.2
179.10812	1.3
181.12357	1.8
185.11800	2.2
189.09282	1.5
191.05630	1.8
197.11876	1.7
199.09793	1.1
201.09564	1.5
201.11354	19.3
202.11690	1.1
207.10280	17.2
209.11856	3.2
215.12894	2.2
225.11334	40.0
226.11736	2.9
227.12881	1.2
235.08170	3.5
242.73199	0.8
243.12273	2.1
253.09291	10.2
277.21744	100.0
278.22092	9.6
279.23285	1.8
293.21198	2.9
298.68051	0.9
443.18964	2.2
461.20343	6.7
462.20706	1.0
721.41699	3.1
739.42657	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.5
61.98837	6.0
69.03445	0.4
69.34467	0.4
71.01397	3.9
72.81590	0.4
73.02948	0.7
78.95907	0.7
80.02684	0.7
81.03473	1.3
83.05037	4.8
84.02165	0.8
85.02937	0.9
89.02451	1.9
92.02092	0.3
96.96022	1.0
97.06586	0.3
98.19727	0.6
101.02464	2.8
108.13576	0.4
113.02466	1.9
113.09713	0.5
119.03481	0.5
125.06087	0.5
135.08215	0.5
141.01714	1.1
143.03404	0.5
161.04570	1.7
163.11302	4.0
165.12862	2.2
167.10712	0.5
171.10257	3.5
172.10695	0.4
181.12305	0.9
183.13928	1.4
185.11853	0.4
191.05605	0.9
191.10823	1.1
195.13904	3.8
197.11876	0.5
199.13390	0.6
205.12401	0.4
209.11842	100.0
210.12187	7.0
211.13358	2.6
223.13431	2.8
227.12904	11.1
228.13460	0.9
229.01746	0.5
231.21140	0.9
235.08249	2.7
235.17056	1.6
253.09312	14.7
254.09702	0.5
275.20166	11.3
276.20633	1.0
279.23285	0.6
280.23813	0.5
293.21252	62.9
294.21555	5.1
309.20743	0.4
445.20932	0.7
739.40399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52942	0.1
59.01384	1.4
60.01704	0.1
61.98835	100.0
62.98536	0.2
70.54551	0.1
70.54881	0.2
71.01392	0.5
73.02934	0.1
85.02963	0.1
87.00895	0.2
89.02468	0.4
96.95994	0.1
98.20061	0.1
101.02450	0.4
125.02398	0.1
137.51466	0.1
161.04697	0.1
168.89610	0.1
190.63977	0.1
191.07262	0.1
195.13948	0.2
197.11986	0.2
209.11809	1.5
211.13329	0.7
212.13815	0.3
227.12901	0.2
235.08348	0.1
253.09323	0.3
277.21875	0.4
279.23193	0.4
280.23590	0.7
281.24106	0.3
282.24158	0.2
293.21439	0.2
294.21793	0.2
295.22809	1.3
397.13495	0.3
398.14011	0.3
399.13925	0.7
400.14435	0.4
417.15250	0.2
418.15463	0.2
697.16980	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	740.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
61.98836	100.0
62.98524	0.1
64.57529	0.1
79.86865	0.1
79.95737	0.1
81.54701	0.1
83.05039	0.2
84.05357	0.1
85.02965	0.1
85.54063	0.1
93.03485	0.1
96.96014	0.8
98.20673	0.2
118.13823	0.1
144.84314	0.1
151.04112	0.1
166.99947	0.2
179.03564	0.1
182.02216	0.2
191.05617	0.8
213.40564	0.1
226.16467	0.1
275.61053	0.1
324.30103	0.1
424.82968	0.1
678.50641	0.2
679.50690	0.8
680.50635	2.1
740.49298	1.3
740.61353	0.1
741.22192	0.4
741.50397	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	741.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98475	0.4
59.01382	7.4
61.98835	3.6
71.01381	1.1
71.54080	0.6
75.44833	0.4
77.03967	2.0
78.95915	0.6
83.05035	1.3
96.96004	1.0
100.03516	0.4
101.02422	1.0
112.98564	0.6
113.02447	0.5
121.02968	100.0
122.03318	3.5
126.95638	0.4
135.08150	0.5
137.02446	0.6
139.31664	0.4
141.01736	1.0
165.01939	72.8
166.02252	2.8
171.10260	1.3
180.05832	0.8
181.06522	2.4
183.13968	0.5
191.03543	1.5
191.05678	0.9
195.13892	1.1
197.06059	0.4
197.11864	0.7
209.11844	19.8
210.12186	8.8
213.15004	4.2
223.13498	0.5
225.05557	1.6
227.12918	2.4
228.13255	0.7
235.08060	0.5
236.08607	0.5
253.09349	3.4
254.09552	0.9
275.20209	1.9
276.20584	0.9
277.21729	1.2
281.22287	0.4
293.21259	8.1
294.21573	6.8
295.21826	0.5
296.81473	0.4
309.20700	1.9
313.07159	1.5
320.59995	0.5
323.57248	0.5
357.06201	9.6
358.06235	0.9
505.25916	1.3
549.10040	0.7
741.14856	5.5
742.15350	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	741.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.0
67.01905	1.0
67.70842	0.7
69.42146	3.4
71.01385	2.4
73.02949	0.8
79.95753	4.5
80.96547	0.7
83.05048	0.7
85.02957	6.4
87.00886	2.0
93.03470	19.1
94.03798	0.8
95.95253	4.5
96.96023	32.1
101.02481	0.8
108.02197	1.3
109.02967	1.4
110.32043	0.5
111.04552	3.0
121.02946	2.5
122.97581	1.4
125.02444	0.5
127.04017	1.9
133.02988	2.3
134.03802	1.2
135.04536	12.0
136.01711	0.6
137.02457	11.4
138.01953	1.4
139.11333	4.9
151.03897	0.6
152.01173	0.7
155.03572	2.8
161.02466	8.9
162.02837	0.6
165.01938	5.9
173.04562	32.9
174.04907	1.5
176.04797	0.7
179.03503	13.3
180.04248	2.4
181.12387	2.6
183.10269	5.3
191.05630	100.0
192.05977	4.5
194.05852	1.9
195.06610	2.5
199.13400	0.8
207.06702	0.7
209.08231	0.9
225.07768	1.2
225.11372	1.9
243.12398	12.4
244.12726	0.8
264.76059	0.5
281.06857	0.7
281.22800	0.6
305.03415	1.2
311.07660	0.6
335.07770	7.6
336.08069	1.0
353.08783	9.3
354.09729	0.9
357.09991	1.5
387.16565	1.2
417.17685	26.2
418.17899	2.7
497.13135	1.5
531.11835	1.2
531.80194	0.6
549.19348	0.9
579.21899	10.0
580.22101	1.8
723.25305	0.7
741.25452	18.7
742.27722	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	741.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
58.00606	1.6
58.14663	1.6
59.01385	36.0
61.98834	10.8
69.03459	1.9
71.01387	31.2
71.53535	1.7
72.41294	2.0
73.02953	6.5
78.95921	8.1
83.01385	2.9
85.02957	6.6
87.00886	9.7
89.02451	22.7
95.01372	3.3
97.02975	5.8
99.00880	5.6
101.02458	26.6
111.04500	1.6
113.02449	10.9
119.03493	8.4
125.02464	8.6
125.09728	2.1
131.03505	1.7
133.41565	1.5
143.03491	4.2
148.25819	1.5
152.99580	5.4
161.04591	5.0
163.11296	2.7
167.92439	1.7
171.10269	11.4
177.09396	1.6
179.05589	3.8
181.12430	2.1
199.13338	1.8
201.11334	3.1
207.10229	8.8
225.11324	15.1
235.08240	13.6
253.09314	5.5
277.21744	12.5
278.22070	3.2
279.23297	38.5
280.23776	4.2
283.26443	81.6
284.26697	9.0
287.07657	2.5
305.08621	3.6
306.50250	1.8
325.08698	1.6
397.13525	100.0
398.13693	10.0
415.14618	33.1
461.20428	2.8
505.26007	7.5
547.14850	2.0
608.54382	1.9
681.40820	4.3
691.43665	2.1
723.42993	2.2
741.44067	22.2
742.45221	4.0
749.02130	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	741.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.4
61.98849	1.5
68.87583	0.6
69.48175	0.7
71.01378	4.9
71.54061	1.0
72.99323	0.9
73.02956	1.5
76.29503	0.6
78.95918	2.4
79.95763	1.2
80.02655	0.8
81.03437	1.1
83.05028	2.7
85.02948	0.8
85.33525	0.7
87.00868	1.5
89.02453	1.5
92.68927	0.7
96.96023	40.4
98.02464	0.8
98.95604	8.1
98.96410	1.1
99.00269	1.1
99.00885	10.4
99.01962	0.7
99.16357	0.6
101.02435	3.9
113.02451	2.2
117.84406	0.7
119.03513	0.8
123.41000	0.7
125.09727	1.3
127.11278	1.9
145.05096	1.0
152.99590	1.7
154.68617	0.6
161.04549	1.6
163.11273	2.6
171.10278	5.9
172.10611	1.4
201.11339	31.2
201.97798	0.8
202.11723	2.0
207.10252	2.1
208.10620	0.9
209.11845	66.6
210.12177	4.0
225.11310	4.0
226.11684	1.4
227.12904	7.3
235.08257	7.4
247.10226	0.7
253.09280	12.2
277.21735	100.0
278.22083	14.5
279.23175	4.4
437.20422	1.6
445.20663	1.0
505.25970	1.5
508.13916	0.7
510.99017	0.8
741.43451	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	741.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46137	0.9
56.15079	0.9
57.03452	0.9
57.45335	0.8
59.01388	8.6
61.98843	4.2
62.44637	0.9
69.03432	0.8
71.01389	7.7
71.05016	1.9
73.02942	1.4
78.95901	1.7
85.02942	1.1
87.00893	1.1
88.47284	0.9
89.02446	2.9
95.71906	0.8
97.02942	4.4
97.06554	1.2
99.00888	11.8
101.02469	4.9
109.06584	1.2
110.03752	0.8
113.02449	1.8
125.09743	4.9
127.11303	1.6
136.05266	1.1
152.99579	1.6
161.04556	1.4
163.11310	7.9
171.10294	6.6
181.12360	17.4
182.12691	0.9
197.11705	1.1
199.13411	24.5
200.13725	1.9
201.11349	2.0
207.10286	32.1
208.10602	2.4
225.11340	59.5
226.11594	4.1
235.08292	2.3
243.12389	14.5
244.20049	0.9
253.09325	3.3
253.21707	1.3
277.21738	3.8
279.23303	51.6
280.23700	7.0
295.22968	2.5
329.23111	1.3
443.19461	1.5
461.20276	10.3
479.21170	3.6
505.25681	1.8
511.71991	0.9
723.43793	5.0
724.43677	1.3
741.44385	100.0
742.44586	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	741.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
59.01384	5.4
61.98837	5.0
67.97549	0.7
70.67752	1.3
71.01389	6.7
71.05039	3.2
73.02943	0.9
78.95923	3.5
79.90074	0.6
83.01369	0.8
83.05029	0.7
85.02944	1.6
87.00851	1.6
89.02435	2.0
95.01334	0.7
95.05019	1.1
97.02943	2.8
97.06582	2.2
99.00888	10.9
101.02457	3.5
113.02444	1.5
115.30006	0.6
123.08138	1.5
125.09720	5.5
127.11346	0.8
135.08095	0.9
142.02802	0.9
152.99567	2.2
161.04562	1.6
161.09784	0.7
163.11285	6.9
164.11618	0.7
171.10324	3.7
172.10425	0.6
177.74612	0.8
181.12366	12.8
182.12709	1.0
183.10327	0.7
199.13412	11.6
201.11348	1.9
207.10272	25.3
208.10687	1.5
225.11336	38.8
226.11612	2.1
235.08200	2.1
243.12413	7.5
253.09265	3.6
277.21738	4.5
278.22089	1.0
278.97760	0.6
279.23303	76.3
280.23636	8.8
293.21649	0.7
310.56381	0.7
339.61395	0.6
386.48126	0.7
434.86945	0.9
436.64984	0.7
443.19092	0.9
461.20410	4.6
479.21323	2.0
505.25528	3.3
723.43158	5.1
724.43597	1.5
741.44366	100.0
742.44653	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	0.7
59.01391	5.1
61.98835	0.9
69.44048	3.6
69.44458	1.6
71.01385	5.3
73.02960	1.3
74.60863	0.7
80.02713	1.5
81.03445	1.2
82.26337	0.7
83.01347	0.7
83.05028	4.2
85.02974	2.0
89.02473	2.1
95.01421	0.9
99.32484	0.6
101.02460	3.3
104.93748	0.7
109.49576	0.7
113.02451	1.3
125.09737	1.9
127.11340	1.9
135.08093	0.9
155.10820	1.6
161.04570	1.6
163.11295	2.6
165.12859	1.7
171.10233	1.2
179.05627	0.7
186.40543	0.7
191.10840	1.3
201.11348	45.6
202.11740	1.9
209.11847	92.5
210.12151	5.6
225.11269	0.9
227.12915	11.4
234.66037	0.8
235.08252	8.3
253.09306	13.8
254.09753	1.3
277.21753	100.0
278.22083	12.3
437.20209	1.7
445.20984	0.9
461.32468	1.2
463.42209	0.7
464.01813	0.7
524.42529	0.8
646.08893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88425	0.5
59.01372	1.2
62.96413	0.8
70.27593	1.5
70.27985	1.4
78.95912	45.0
96.96977	3.8
99.60234	0.7
145.29121	0.7
150.98007	1.2
152.99600	51.8
171.00673	4.2
171.10274	1.2
171.37181	0.7
227.03320	5.8
245.04263	2.1
253.21753	29.6
254.22067	1.7
255.23341	6.0
256.23663	1.0
259.20630	1.0
275.20181	1.3
277.21735	88.6
278.22064	8.5
279.23206	1.1
295.22961	0.7
413.20987	2.8
463.24753	0.8
483.27356	2.8
505.25760	100.0
506.26129	13.1
683.79700	0.8
741.47253	25.7
742.47815	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	743.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84638	0.2
57.88404	0.2
58.73051	0.2
59.01383	0.3
63.02397	0.3
64.67859	0.2
65.00331	1.4
71.01389	0.3
71.54765	0.4
83.01393	0.5
85.02911	0.2
91.54749	0.2
93.03471	0.6
96.96018	1.0
105.03475	0.4
107.01397	2.2
110.73298	0.3
121.02960	0.4
130.09970	0.2
133.02966	11.3
134.03392	0.4
149.02463	1.9
151.00383	4.7
164.83704	0.3
171.04434	0.5
173.04559	0.4
175.04016	3.1
179.68108	0.2
191.05649	1.7
193.08231	0.3
197.05984	0.2
198.03232	0.4
199.03996	2.4
201.01894	1.1
213.05560	0.6
215.03603	0.4
217.05103	1.4
223.04048	0.3
226.02487	0.4
229.05083	0.3
231.08759	0.3
235.07651	0.9
236.08423	0.4
241.05136	0.9
243.02969	0.7
249.09213	0.5
251.08209	0.4
251.10785	6.3
252.11107	0.7
257.04633	0.4
285.04065	100.0
286.04431	8.4
295.09894	1.4
311.57117	0.3
374.05487	0.2
457.15082	3.0
458.15338	0.4
501.20517	0.3
756.92987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
59.01390	15.5
61.98833	3.9
62.05610	1.1
62.39723	1.2
71.01389	18.5
71.54727	1.8
72.99303	1.1
73.02943	2.2
81.03460	2.5
83.05061	4.8
85.02945	6.2
87.00880	3.4
89.02457	3.8
93.03478	6.6
93.03958	1.2
96.96020	7.0
97.02971	1.8
99.00912	1.5
101.02452	5.8
107.25942	1.2
109.02988	1.5
109.06620	5.2
111.04517	1.6
113.02460	4.0
119.03518	2.2
125.09692	2.1
127.11330	2.7
133.03043	1.3
134.03799	1.4
135.04547	4.0
135.08147	1.7
137.02461	14.4
147.11777	1.2
155.10802	1.3
161.02444	2.0
161.04655	2.3
163.11313	6.6
165.12868	2.0
167.03459	1.9
171.10294	24.6
172.10661	1.9
173.04568	5.3
181.12379	4.0
185.11911	1.5
191.04016	2.0
191.05650	26.2
192.06070	1.6
197.11873	1.6
199.09785	18.9
199.13397	3.3
201.11353	30.8
202.11649	1.7
207.10272	20.1
208.10625	1.4
209.11852	100.0
210.12146	6.6
223.09697	1.3
225.11334	25.7
226.11736	1.9
227.12923	17.2
228.13599	1.3
235.08237	5.5
243.12427	4.3
253.09332	13.9
285.03998	3.5
312.10794	1.5
328.98447	1.3
391.21155	1.5
407.19077	1.5
435.18762	2.2
443.19418	1.5
445.20682	2.1
446.84933	1.4
461.20535	8.1
596.15332	1.5
609.29401	3.7
627.30042	5.4
628.31146	1.7
636.30695	1.5
645.31195	5.0
646.31635	1.9
653.30804	5.5
671.33533	6.1
689.34058	3.7
707.34747	4.2
708.35382	1.9
725.32117	1.7
743.34637	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	743.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
60.99313	17.2
61.98836	7.9
69.21248	4.9
71.01372	1.4
78.95885	0.9
83.05057	0.9
87.00892	1.5
88.00410	4.9
88.98814	100.0
89.02451	16.5
89.99157	0.9
113.02382	0.5
127.11317	0.6
152.99544	0.8
166.13264	0.6
171.10258	5.7
172.31911	0.6
191.05656	0.6
201.11353	6.6
202.11693	3.1
203.11835	1.2
209.11850	14.5
210.12166	7.8
210.14014	0.8
211.12424	2.3
218.61188	0.5
227.12924	2.0
228.13245	0.9
235.08321	1.1
253.09216	2.2
254.09731	1.0
255.23358	1.4
273.29874	0.6
277.21744	7.7
278.22064	7.3
279.23083	3.1
293.21176	3.6
397.13458	1.3
438.20926	0.6
507.27353	1.6
711.27057	1.5
743.42035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01363	0.8
59.01379	4.2
61.98852	4.8
67.89131	0.8
69.87294	4.2
71.01391	3.9
71.63617	0.9
78.95920	3.3
79.95744	0.9
83.05029	2.8
85.02957	1.0
89.02447	2.4
98.20651	1.1
101.02470	2.7
113.02465	1.4
121.69842	0.8
125.09695	0.9
127.11326	1.0
152.99698	1.3
161.04703	1.1
163.11325	2.2
171.10292	1.8
177.04305	0.8
199.09854	1.2
201.11342	28.0
202.11673	1.5
209.11856	62.8
210.12198	4.4
227.12938	9.6
235.08200	6.5
253.09332	12.4
254.09544	1.1
255.23410	1.1
277.21854	1.0
277.45480	0.9
279.23306	100.0
280.23648	9.6
379.07761	1.0
437.20010	1.8
476.75070	0.9
507.27310	1.8
697.47589	1.0
743.45258	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	743.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50521	8.0
54.48503	9.0
70.70853	29.2
78.95915	38.6
97.29298	9.3
103.98058	9.7
152.45172	9.9
152.99583	37.3
253.21756	41.7
255.23288	34.9
277.21793	30.4
279.23291	98.3
280.23587	10.0
366.66837	9.9
484.31161	11.6
507.27319	100.0
508.27875	10.7
711.54211	13.8
722.03973	11.5
743.48553	52.4
744.49628	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	745.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
59.49881	0.9
61.98835	1.7
66.14000	0.9
70.05548	1.0
70.50132	0.9
70.73709	2.2
71.01390	2.9
73.02941	1.0
81.03464	0.8
85.02979	1.5
88.27278	0.9
89.02450	1.2
93.03484	7.4
95.01411	1.1
96.96033	8.1
101.02483	1.0
103.67657	0.9
108.02193	1.6
109.02968	2.0
113.02438	1.5
118.94247	1.2
119.05043	1.4
120.01292	2.7
121.02967	13.4
122.03773	17.3
123.00913	1.5
123.04556	2.1
124.01651	1.7
133.02965	2.8
134.03749	1.4
135.04556	9.8
136.01669	23.2
136.02647	1.7
137.02493	6.0
147.04611	1.1
148.01750	1.0
149.02451	28.0
149.06067	1.9
150.03239	94.7
151.00356	5.1
151.04028	25.6
152.01184	1.7
153.02034	1.0
161.02521	1.4
161.06073	1.9
162.03152	1.0
163.03995	3.8
163.05302	0.7
164.04808	7.1
165.05583	100.0
166.02730	14.8
166.05893	5.0
167.03477	4.1
172.05319	2.5
173.04561	4.4
174.03194	1.0
175.02722	0.9
175.04028	4.5
177.01982	1.5
177.05577	2.3
178.02728	1.0
179.03577	1.1
180.04321	6.8
181.05080	20.3
189.05583	3.1
190.06404	6.5
191.05618	11.7
192.04279	1.0
193.05008	1.0
195.06647	65.3
196.06973	3.9
199.67259	0.9
205.08781	1.3
209.12000	1.8
221.08276	1.6
282.05484	2.1
315.08557	1.6
329.10172	3.0
342.11136	1.5
356.12573	1.9
357.09711	4.2
357.13504	9.3
372.12201	3.7
373.12830	1.9
386.13678	2.7
387.14517	51.3
388.14963	5.9
490.16360	1.2
505.18719	2.9
506.19296	1.6
517.18829	1.7
535.19763	64.2
536.20001	11.9
553.20526	2.2
565.21240	2.4
583.21893	39.8
584.22125	7.3
663.17285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43768	14.9
61.98849	75.9
65.67590	15.8
68.37793	16.6
69.20770	31.0
69.21169	100.0
78.95906	27.2
98.20142	58.9
131.07091	15.3
135.49147	14.4
249.14960	34.9
255.23404	24.6
277.21640	55.8
279.23099	29.7
281.24902	27.5
610.18298	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	747.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07064	0.6
52.09802	0.6
59.01388	100.0
59.20546	0.6
60.01712	1.1
63.46406	0.6
70.16315	1.4
70.16710	1.4
80.96530	1.1
138.83464	0.6
143.04332	0.6
168.59857	0.6
210.18129	0.6
306.55386	0.6
455.17181	4.7
456.17526	1.1
468.80112	0.7
469.11240	1.1
473.18512	5.0
483.12814	1.4
496.14194	1.8
499.16397	0.9
511.15384	0.9
512.13440	11.0
513.13861	2.9
525.14014	1.2
526.15009	12.2
527.15216	5.0
569.17023	2.1
586.17639	1.1
599.18115	1.9
600.18585	1.5
601.19586	3.5
613.19458	1.0
614.20221	85.3
615.20514	24.5
618.16095	0.9
632.17389	1.9
646.19067	8.6
647.19513	3.1
655.20087	1.0
673.21436	1.3
687.23297	5.7
688.12396	0.7
688.23608	2.4
747.25244	55.6
748.25482	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85316	3.9
59.01383	63.5
61.98835	19.5
70.09262	14.3
78.95932	4.3
87.00902	5.1
88.98832	9.4
89.02457	6.7
92.92810	16.7
97.81366	4.3
98.20233	9.5
102.62365	3.9
152.99632	4.5
184.44470	3.7
191.05714	4.2
237.29094	3.6
336.39111	4.4
469.18863	5.7
495.16733	12.6
499.16037	6.1
512.12805	5.6
523.16040	15.0
524.16113	5.4
526.15033	16.2
539.15399	4.3
541.21094	11.7
569.16888	17.2
570.15137	7.7
596.19305	36.1
597.19580	39.3
598.20074	6.5
601.23169	62.8
602.23145	17.3
612.18756	55.0
613.18829	15.4
614.20105	7.7
627.21179	15.3
628.18518	15.9
631.24261	21.8
632.22546	14.0
655.20465	61.8
656.20697	23.1
657.22223	15.7
672.20850	100.0
673.20972	33.7
687.23425	28.8
688.23553	4.9
747.25262	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	747.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02952	0.6
65.28819	0.6
71.40441	1.0
72.00915	1.4
74.02484	5.8
80.71011	0.6
82.02982	7.8
84.04560	6.0
86.02502	2.0
105.51446	0.6
111.02044	0.7
111.03267	1.1
112.07700	2.0
114.05596	0.9
124.07703	1.8
125.07203	1.3
127.05164	2.4
128.03551	57.9
129.03954	1.4
153.10323	1.3
154.14539	0.6
155.11938	9.9
156.12312	0.7
163.27853	0.6
181.09837	17.1
182.10159	0.6
199.10896	100.0
200.11227	4.5
225.08855	1.3
243.09875	49.0
244.10123	3.1
309.28561	0.6
428.85556	0.6
590.60004	0.6
627.29016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01394	2.6
60.99322	1.5
61.98839	6.7
67.01889	6.3
69.03462	1.7
70.91367	2.1
71.01398	4.5
81.03487	1.4
83.05027	1.4
85.02984	2.1
87.00871	6.6
93.03469	36.1
94.03810	1.0
96.96013	14.2
101.02463	1.6
101.83266	0.8
105.03477	0.9
108.02155	4.7
109.02959	1.5
111.04547	4.2
113.02418	0.8
114.28999	0.9
119.05039	1.6
121.02972	2.4
122.03737	1.8
124.01665	7.6
125.02468	3.8
126.03198	1.4
127.04040	1.9
129.01889	1.0
133.02075	0.9
133.02982	4.3
134.03754	14.2
135.04539	100.0
136.04918	3.5
137.02463	3.1
150.03207	5.2
151.04028	15.4
155.03584	1.3
160.01648	1.5
161.02452	2.4
167.03511	2.1
173.04541	11.2
175.20052	0.8
177.02019	1.4
178.02823	1.9
179.03514	23.1
180.04179	2.7
189.05771	0.9
191.05627	23.9
191.07388	1.2
192.06012	1.2
194.02371	1.0
209.11824	1.9
255.03096	1.0
256.03793	3.0
257.08197	4.8
275.09171	1.5
281.11804	1.1
284.03323	7.4
290.07898	1.9
299.05539	5.7
306.07614	1.0
307.08243	11.9
308.09030	23.2
309.09384	2.0
323.07776	1.6
352.08017	58.0
353.08356	4.8
449.14563	40.5
450.14786	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	750.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26139	0.2
57.88262	0.2
58.75310	0.2
59.01388	8.1
60.01708	0.6
61.98837	100.0
62.98561	0.3
69.82143	0.3
89.10879	0.2
145.44394	0.2
171.10262	0.3
176.02156	0.2
458.17624	0.4
475.18036	0.3
514.14014	0.3
515.13806	0.6
528.15179	0.4
529.15546	1.0
615.20325	0.5
616.20709	1.6
617.20520	6.3
618.20984	0.7
649.19598	1.1
690.23438	0.3
750.25232	6.3
751.24854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70807	2.8
58.40310	2.7
59.01385	66.8
61.98822	7.4
70.54348	7.7
82.03881	2.2
88.67217	2.8
94.43118	2.3
96.28188	2.2
96.96037	3.4
209.11879	2.3
213.59013	2.5
221.20767	2.2
250.73566	2.7
277.21750	3.6
330.21008	2.3
379.38397	2.9
493.12393	2.6
494.12570	5.2
495.13116	17.7
496.13373	6.0
509.14859	7.5
510.15305	6.4
523.16296	3.4
537.17712	5.1
538.18103	3.1
569.16815	2.7
597.19910	13.9
598.20209	5.6
601.15051	13.7
605.14606	10.1
606.14178	4.4
633.17694	28.6
634.18073	6.9
691.18134	26.3
692.18384	8.4
707.46222	2.4
741.06458	2.7
751.20239	100.0
752.20612	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
59.01388	10.3
60.99314	1.6
61.94960	0.6
67.01907	4.3
69.03465	1.7
69.22009	1.9
69.22436	4.4
71.01390	4.9
72.72812	0.6
73.02952	4.7
81.03458	1.7
83.01389	1.1
83.05043	0.9
85.02957	12.6
87.00874	9.0
89.02465	1.0
93.03470	29.3
94.03812	1.2
96.96027	5.1
98.19918	1.1
99.00869	0.7
99.04514	1.2
101.02471	3.0
109.02930	1.5
111.04524	4.9
113.02444	1.5
118.67850	0.6
119.05005	0.7
120.11741	0.6
121.02952	0.7
125.02522	0.9
127.04021	2.3
131.72620	0.7
133.02968	1.4
134.03786	0.6
135.04515	2.2
137.02455	1.0
138.74760	0.7
153.01956	0.8
155.03523	1.9
161.02405	1.1
163.04031	1.2
171.02983	0.9
173.04578	13.5
173.06042	1.7
179.03493	1.5
185.06102	2.4
186.54083	0.7
191.05629	100.0
192.05983	6.0
197.06024	0.8
199.07600	1.4
211.04085	0.9
225.05609	1.8
226.06337	1.5
228.04222	0.8
229.05075	3.5
241.08685	0.8
243.06720	0.9
267.13821	1.0
285.04004	0.7
465.30222	0.7
489.21094	0.7
503.48703	0.7
515.19269	10.7
516.19550	1.6
533.20251	2.8
534.20740	0.8
545.20618	0.9
622.92059	0.9
707.25653	35.5
707.99573	0.7
708.25891	8.3
751.22601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.1
61.98841	0.4
70.08915	0.4
71.01379	0.3
71.75457	0.1
78.88083	0.1
78.95911	1.2
79.95750	3.6
94.92556	0.1
95.97631	0.1
96.96024	100.0
97.95956	0.3
101.02423	0.1
231.03868	0.1
255.23344	0.2
341.12653	0.1
385.19070	0.2
397.13687	0.1
434.69815	0.1
435.08380	0.2
453.09552	0.4
460.82349	0.1
484.48947	0.1
607.73737	0.1
691.32153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79993	0.2
59.01394	1.0
61.98829	0.9
71.01373	1.4
72.99313	3.2
75.00880	100.0
76.01241	1.2
85.02979	0.4
89.02462	1.0
92.09026	0.2
96.96013	1.0
96.96596	0.3
98.19795	0.5
101.02470	0.9
101.30018	0.3
106.34808	0.2
106.55840	0.3
113.02439	0.5
119.03542	0.3
125.02478	0.3
141.44257	0.3
161.04591	0.2
163.11423	0.4
171.10246	0.3
173.45117	0.3
207.10237	0.3
209.11847	0.5
225.11292	0.6
235.08197	0.7
241.75174	0.3
253.09546	0.3
253.40280	0.3
277.21741	3.2
278.21881	0.3
356.09015	0.3
397.13507	5.9
398.13956	0.5
415.14505	2.2
531.94873	0.3
751.39478	0.6
762.57452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
57.96099	1.1
58.18954	1.1
59.01387	10.8
61.98837	88.7
67.01880	1.3
69.03461	1.1
69.51662	7.0
71.01382	10.3
72.99340	1.1
73.02953	3.3
77.81170	0.9
79.95743	1.5
80.96526	2.2
81.03461	2.8
83.01398	1.7
83.05042	8.8
84.02180	1.2
85.02965	7.3
87.00878	3.7
88.98745	1.2
89.02445	5.6
93.03458	6.7
95.05015	1.6
96.96017	16.1
97.06538	1.2
101.02457	7.1
111.04523	1.2
113.02460	4.6
119.18105	1.3
125.02419	1.1
125.06088	1.3
125.09666	1.2
127.03957	1.3
133.03004	1.3
135.08220	1.1
143.03526	1.5
151.11310	2.7
153.12840	1.8
155.03493	1.6
161.04590	2.5
163.11310	7.9
165.12881	3.1
169.12358	36.3
170.12756	2.1
173.04572	4.1
181.12387	1.0
191.05640	24.2
192.05977	2.5
197.11850	72.2
198.12117	5.4
201.11130	1.9
209.11850	100.0
210.12202	7.2
215.07156	1.9
225.00670	1.2
227.13011	7.1
230.84547	1.1
253.09267	6.9
255.03113	2.4
283.02396	1.2
285.03918	1.9
308.46152	1.0
352.07312	1.2
459.07278	1.4
527.76251	1.1
545.20276	2.2
546.20984	1.4
631.37268	1.8
687.32336	27.8
688.32141	5.2
707.38177	1.2
719.35004	55.0
720.35242	12.4
751.37860	58.1
752.38031	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	753.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41401	0.1
59.01379	0.4
60.99318	0.3
63.02391	0.2
65.00333	1.0
67.01900	0.8
71.01390	0.5
71.54321	0.2
71.54671	0.2
71.82890	0.2
81.03486	0.2
83.01387	0.8
85.02991	0.2
87.00888	0.8
88.20303	0.2
93.03469	5.0
94.03837	0.2
96.96023	0.5
105.03480	0.2
107.01398	2.1
109.02966	0.2
111.04534	0.7
113.02413	0.2
121.02973	0.4
132.02216	0.3
133.02966	10.8
134.03700	1.0
135.04492	0.4
137.02440	0.3
149.02463	1.9
149.06056	0.3
150.99205	0.3
151.00389	4.9
155.03548	0.3
163.03903	0.2
171.04573	0.4
173.04578	4.1
173.06056	0.3
174.04881	0.3
175.04044	2.7
177.01872	0.2
178.02707	0.7
179.03447	0.2
191.05592	0.7
193.05060	0.8
194.84325	0.2
197.06117	0.3
198.03246	0.4
199.04051	2.3
200.04324	0.2
201.01950	0.9
211.04102	0.3
213.05585	0.6
215.03561	0.4
217.05109	1.1
223.04024	0.3
239.03545	0.3
241.05063	0.7
242.02002	0.2
243.03029	0.5
255.03134	0.2
257.04532	0.2
285.04074	100.0
286.04419	9.5
314.13702	0.2
449.14633	1.6
450.15179	0.3
467.15634	3.7
468.15936	0.2
472.45474	0.2
521.11212	0.2
535.30963	0.4
709.36700	0.7
755.73975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06655	0.7
55.01884	0.8
57.03460	1.4
59.01384	10.6
61.98838	1.8
69.03467	1.5
69.94685	2.8
71.01001	1.2
71.01385	8.2
71.05019	0.9
73.02961	1.8
80.02692	1.9
81.03483	2.3
83.01399	1.7
83.05032	6.5
83.39473	0.6
84.02184	1.1
85.02965	2.4
87.00890	2.1
89.02453	3.4
93.03448	0.9
95.01367	0.9
95.05048	2.5
96.96036	1.0
97.02966	4.9
97.06599	2.3
99.00901	1.5
101.02470	6.6
105.15407	0.8
105.94958	0.6
107.24382	0.6
109.06600	13.2
110.03754	1.2
111.08173	2.5
113.01782	0.8
113.02433	3.6
119.03535	0.7
121.06635	1.1
123.04564	1.7
123.08265	0.6
125.02447	0.8
125.06118	0.8
125.09741	3.1
126.93883	0.7
135.04582	0.9
135.08195	2.9
137.09775	1.8
142.02777	0.9
145.05159	0.8
161.04567	2.7
161.09721	1.3
163.11310	13.5
164.11610	1.2
165.12914	3.9
166.50966	0.7
169.12361	3.0
171.10263	4.0
173.04546	0.7
179.05663	0.8
179.10782	1.4
181.12355	4.0
185.11858	3.7
191.05626	2.6
191.10831	1.8
191.14436	3.1
195.13817	0.7
197.10037	0.9
197.11852	17.6
197.94707	0.7
198.12225	1.1
199.13466	1.0
207.10278	39.1
208.10611	2.0
209.11847	100.0
210.12154	7.9
211.13438	2.5
225.11340	17.3
225.14822	0.9
226.11774	1.4
227.12904	11.3
235.08266	4.8
237.11226	1.5
245.19135	5.9
247.20761	0.7
253.09305	15.9
254.09459	1.3
263.20090	2.2
275.20181	1.0
289.18143	27.1
290.18451	2.4
291.19687	12.3
292.20084	1.1
293.21149	3.9
307.19214	23.2
308.19455	2.0
309.20743	29.4
310.21069	3.5
443.19391	2.6
461.20279	5.3
484.43130	0.7
499.30881	1.0
543.28168	1.5
545.29395	1.2
637.32642	1.4
684.14960	0.7
735.39429	1.8
753.40649	28.4
754.40857	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	753.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24949	3.2
57.25334	3.3
58.91064	3.2
59.01378	10.3
71.44804	6.7
109.06581	7.1
113.02489	3.6
170.75293	3.6
171.10301	7.5
181.08734	4.5
199.09808	18.6
207.10231	23.2
225.11342	14.1
235.08200	12.3
253.09317	11.2
255.20659	6.8
255.23317	100.0
256.23721	12.0
277.21613	5.5
395.16888	4.0
400.03186	4.0
417.17862	3.9
461.20126	4.8
491.32266	10.8
659.43604	5.3
673.41730	48.0
674.42389	16.2
699.43127	31.9
700.43536	7.5
753.41040	10.7
754.41620	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	754.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
58.65207	0.1
59.01398	0.9
60.28341	0.2
61.98837	100.0
62.98536	0.2
65.53203	0.1
67.01908	0.2
71.01404	0.9
71.55181	0.2
79.95757	0.5
80.96536	0.8
85.02963	0.8
86.03355	0.2
87.00904	0.5
93.03477	0.8
94.98045	0.2
96.96024	3.8
96.96619	0.3
98.95596	0.2
101.02470	0.4
102.17049	0.1
109.02953	0.2
111.00911	0.3
111.04538	0.2
113.02461	0.3
113.30273	0.2
121.02976	0.2
133.02982	0.3
134.03801	0.3
135.04530	0.5
137.02516	0.4
152.01253	0.2
163.04057	0.2
173.04572	0.7
175.04163	0.2
178.02808	0.2
179.03493	0.2
191.05621	3.9
192.06108	0.2
193.05122	0.6
209.11948	0.6
285.03998	1.2
286.04474	0.8
354.33383	0.2
405.46326	0.2
650.38739	0.5
651.40082	0.5
668.39996	0.3
669.41339	0.3
710.40741	0.2
728.19830	0.2
754.30115	0.8
755.31348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
65.00373	0.5
67.01888	0.5
69.31247	2.1
69.31672	1.7
71.01008	0.9
71.01385	9.1
72.99297	1.4
75.53709	0.5
79.95748	1.9
80.96516	3.4
84.27273	0.4
85.02964	1.0
89.02463	1.1
93.03450	2.4
94.98117	0.7
96.96017	11.8
98.95597	3.1
101.02471	0.7
107.01400	1.0
109.02954	0.9
111.00884	0.9
115.00384	14.2
119.05091	0.5
119.73780	0.5
132.02180	0.6
133.01445	14.2
133.02933	2.2
134.03734	2.0
135.04491	1.3
136.01642	0.7
137.02490	1.4
151.00424	2.2
153.01981	0.9
161.02493	1.1
164.98672	0.6
173.04582	3.1
175.04002	0.8
177.01981	0.8
179.03560	0.9
191.05627	7.2
193.05113	1.0
199.03995	0.6
213.05339	0.5
217.05133	0.8
225.00754	0.9
227.03593	0.6
232.08797	0.5
240.04256	0.8
241.05060	1.0
243.03040	0.6
255.03014	22.2
256.03738	12.1
257.04276	0.6
283.02512	33.7
284.03271	62.2
285.04025	47.4
286.04346	3.6
296.03125	0.9
297.04099	0.6
313.03476	0.8
348.12070	0.5
433.09402	13.2
433.15350	0.8
434.09665	1.9
445.07730	0.7
446.08612	5.7
447.09198	4.5
581.21814	0.6
593.02936	0.5
595.14594	100.0
596.14948	19.8
596.24640	1.0
639.13409	3.1
640.13611	0.8
755.32275	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	755.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.4
61.98833	1.1
62.99535	0.6
63.02376	0.7
65.00336	3.5
66.53904	0.6
69.58910	4.5
71.01395	11.4
72.99320	1.4
78.93486	0.6
79.95724	0.9
83.01396	3.7
85.02952	1.8
87.00895	2.0
89.02459	1.4
93.03473	3.8
96.96026	12.5
98.19955	1.4
101.02418	1.1
104.80861	0.7
107.01392	4.5
108.02184	2.0
109.02950	3.1
111.00890	0.9
111.75386	0.6
115.00377	17.0
121.02969	1.0
123.04482	0.7
125.02429	0.9
133.00482	1.2
133.01454	19.4
133.02945	0.8
134.03712	2.0
135.04492	1.8
137.02437	2.3
145.02985	1.1
150.99223	0.9
151.00392	15.2
152.01158	3.7
153.01984	0.7
161.02449	1.6
161.04602	0.7
165.01866	2.1
167.03511	5.4
173.04578	3.1
178.02715	1.2
179.03464	2.3
189.20789	0.8
191.05623	14.4
192.05966	1.5
193.05026	3.2
205.37973	0.8
205.56497	0.7
209.06081	0.9
237.05574	1.5
240.04329	0.9
245.06543	1.1
249.05602	2.0
252.04295	0.8
264.04218	1.4
265.05054	2.9
266.05762	4.8
267.06491	2.1
279.02911	0.9
281.08429	1.7
284.02908	0.7
285.04025	1.0
292.03610	0.7
295.02328	1.0
296.03403	1.6
297.03955	2.5
307.02521	1.0
308.03397	3.6
309.03915	2.8
311.05688	1.3
323.05731	6.1
335.07819	1.0
345.15613	0.8
359.05844	0.7
361.07129	1.6
371.05585	1.1
372.06610	0.9
373.07224	1.3
389.06619	4.6
390.07574	1.1
400.05939	1.1
401.06216	1.2
416.05502	1.5
417.06198	7.7
418.06909	12.4
419.07419	1.4
432.08395	2.6
433.09290	48.8
434.09732	7.5
444.04868	1.9
459.07230	10.0
460.07886	1.7
477.08389	1.6
580.12079	2.6
595.14594	100.0
596.14984	17.9
621.12567	5.5
622.12244	0.9
639.13354	1.6
755.21320	1.4
776.36469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01158	1.0
59.01387	11.4
59.97642	1.2
61.98837	38.8
71.01392	3.7
71.53922	1.2
76.31179	1.1
78.95927	2.3
87.00882	1.6
93.23138	1.0
101.02445	1.9
119.14939	1.1
151.11276	1.5
169.12360	100.0
170.12691	6.3
171.10294	24.9
172.10606	1.2
195.10246	1.7
213.11320	1.7
235.08246	7.2
242.86774	1.1
253.09303	7.5
271.96643	1.3
277.21744	68.3
278.22040	6.6
311.22437	1.2
338.40182	1.3
405.21350	7.7
431.19037	2.0
637.16736	1.6
680.80219	1.3
709.41748	14.4
710.42194	4.2
727.42914	10.3
728.42944	3.6
755.20996	6.2
755.42188	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	755.423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07685	1.0
59.01384	11.0
61.98849	4.8
64.31821	0.8
71.01360	2.0
74.94571	1.0
75.13602	1.0
78.95897	1.4
87.00889	2.2
101.02470	2.1
102.29081	0.9
149.29282	1.0
152.99568	1.2
169.12357	63.0
170.12721	3.2
171.10284	15.5
195.10275	1.6
197.01500	0.9
209.12004	1.3
235.08205	2.9
253.09389	6.8
277.21732	100.0
278.22043	11.6
279.23322	1.3
362.99930	1.1
405.21710	2.2
513.30603	4.8
551.16992	1.2
632.38776	1.0
647.43109	1.1
691.41467	1.1
709.41870	10.8
710.42285	3.7
727.42944	10.0
728.42999	3.0
755.41705	5.9
756.41925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03440	0.5
57.92152	0.3
58.00590	0.4
59.01385	14.3
61.98835	0.6
69.03459	0.9
70.85383	0.8
71.01395	3.4
73.02952	0.4
80.02684	1.1
81.03473	1.6
83.05039	4.2
84.02180	0.9
85.02952	1.0
87.00883	1.1
89.02465	2.0
93.03412	0.4
95.01383	0.3
95.05048	0.6
96.96008	1.7
97.02969	1.6
97.06591	0.5
98.95634	0.5
101.02444	2.6
107.05003	0.3
109.06617	1.4
111.08168	3.2
113.02434	1.6
119.03488	0.6
125.06071	0.7
125.09729	0.8
135.08177	0.9
137.09702	0.6
161.04504	1.7
163.11319	4.1
165.12859	4.2
166.13124	0.4
169.12349	1.4
171.10275	5.8
179.05740	0.4
179.10858	0.4
181.12320	1.3
183.13979	0.4
185.11923	0.4
191.05623	0.8
191.10786	0.9
193.12321	0.7
195.13876	0.3
197.11844	13.2
198.12180	1.2
199.13377	0.8
201.11292	0.8
207.10335	1.6
209.11836	100.0
209.36769	0.3
210.12202	6.4
211.13403	3.2
223.13556	0.6
223.16989	0.4
225.11345	2.8
225.14987	0.6
226.11600	0.4
227.12897	12.1
228.13321	0.6
235.08224	3.3
247.20705	0.7
249.14973	0.5
251.16603	1.2
253.09303	12.9
254.09737	0.5
263.20135	0.6
268.33505	0.4
273.18683	1.2
275.20288	0.4
291.16275	0.5
291.19675	16.4
292.20200	1.8
293.21249	3.1
309.20728	34.6
310.21042	3.9
311.22427	0.5
445.20984	0.7
545.29614	0.5
755.41919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	30.2
71.53697	12.8
72.56800	7.8
78.95898	18.0
80.03206	8.4
132.26112	8.7
152.99609	12.2
201.11327	26.3
209.11826	47.6
227.12923	11.8
253.09290	10.1
255.23294	100.0
277.21710	15.4
490.82455	9.5
491.32153	9.8
755.42670	30.5
756.44238	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	755.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
61.98833	4.7
65.29119	1.2
67.90208	1.2
71.01385	2.5
73.02907	1.2
78.95923	4.2
83.05032	4.4
87.00877	1.5
89.02489	1.5
98.19878	2.7
101.02467	3.1
106.34779	1.1
127.40481	1.5
160.30087	1.6
161.04594	2.0
163.11348	4.4
165.12881	2.6
181.12357	1.5
195.10223	1.3
209.11844	100.0
210.12152	7.4
225.11449	1.3
227.12872	12.2
235.08167	2.7
253.09332	10.1
259.15512	2.5
260.98218	1.3
265.23972	1.3
277.21744	70.5
278.22144	6.7
279.23111	2.1
445.21078	1.8
755.40808	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	757.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.7
58.78610	0.7
59.01370	0.8
71.01390	1.3
79.95747	15.0
80.96521	0.8
85.02945	0.9
85.91290	0.7
93.03445	1.1
95.95265	4.6
96.96023	100.0
98.19956	1.5
108.02162	0.7
110.97587	4.1
112.72005	0.7
122.47999	0.7
125.88616	0.6
134.03746	2.2
149.06146	0.8
167.00168	1.3
185.37703	0.6
191.05629	9.9
192.05881	1.1
193.05093	3.1
201.01709	0.6
209.39732	0.7
218.69009	0.7
241.00281	0.8
276.96979	0.6
394.59537	0.7
415.12918	0.9
471.09586	1.4
499.09216	7.8
500.10141	1.7
513.10846	1.5
514.11597	3.9
515.12189	6.0
524.65063	0.7
559.17633	0.8
677.17615	80.5
678.17932	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	757.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33604	20.4
61.98843	52.5
78.95924	27.2
87.00893	68.2
97.02987	19.1
205.37033	23.5
207.10228	51.6
209.11757	26.8
225.11351	89.4
277.21707	100.0
278.22192	41.8
461.20325	52.8
503.67386	19.9
630.51959	18.5
721.41870	24.0
757.39459	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	11.5
61.98831	19.8
62.21734	4.7
69.65079	27.2
71.01364	5.8
78.95899	14.4
87.00886	11.8
88.98833	10.7
89.02466	10.1
101.02454	5.3
109.06589	21.4
115.20613	4.7
152.99570	5.7
163.11299	11.4
167.65633	5.6
169.12364	53.7
171.10257	18.5
201.11330	13.1
207.10278	100.0
209.11856	20.6
210.12122	6.2
225.11263	31.5
227.13054	5.8
235.08376	10.8
253.09334	20.9
254.29535	5.6
255.23271	25.7
277.21777	80.1
278.22064	6.6
279.23325	49.8
390.60266	5.1
405.21268	5.9
443.19128	13.8
461.20288	14.5
465.64240	5.3
711.42603	7.0
721.41858	50.2
722.41882	17.5
757.43188	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	757.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99521	13.9
61.98829	42.7
64.70349	15.2
78.95930	29.3
86.30631	13.2
87.24939	14.7
103.90937	15.7
118.37392	14.0
141.74136	17.1
185.04036	14.5
207.10367	20.4
208.90625	14.9
225.11365	69.1
277.21680	100.0
278.21979	35.1
307.52936	14.8
523.75415	17.3
721.41632	46.6
722.42560	26.6
727.69830	18.0
757.39923	86.0
758.40607	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	757.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.1
58.00608	1.1
59.01386	14.0
61.98830	1.5
69.45001	3.9
69.45410	2.1
71.01389	97.1
72.01719	1.1
73.02961	1.7
85.02948	1.7
87.00862	1.5
89.02457	4.1
95.15535	1.1
96.92126	0.9
97.02946	1.4
98.19880	1.0
99.00945	1.6
100.62862	1.0
101.02447	4.0
103.81086	1.0
108.00748	1.1
109.06595	9.1
110.06990	1.0
113.02496	2.3
114.01146	1.0
125.09746	3.8
127.11292	4.3
135.08199	1.4
137.09822	0.9
155.10806	1.8
161.04501	2.4
163.11362	5.5
171.10289	100.0
172.10660	5.5
181.08797	2.1
181.12352	3.2
199.09775	17.5
199.13374	2.2
201.11336	21.4
202.11723	1.2
207.10284	24.9
208.10625	1.7
215.21324	0.9
225.09253	1.4
225.11330	16.5
226.11687	1.7
229.57841	1.2
235.08179	1.9
243.12405	3.2
253.09273	12.9
277.21747	76.1
278.22070	9.7
375.74774	1.1
378.69540	1.1
417.36887	1.2
435.18689	3.4
443.19400	1.4
461.20432	5.8
721.41583	4.0
757.43903	13.7
758.44403	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	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.0
59.01387	13.8
61.98832	3.8
67.50319	0.9
67.72355	0.8
69.03452	0.9
71.00770	2.4
71.01389	92.2
72.01714	2.0
73.02965	2.3
77.93941	0.8
78.95894	1.7
85.02949	1.8
87.00890	1.0
89.02472	3.7
94.97490	0.9
97.02961	1.9
98.20089	1.1
99.00907	1.7
101.02458	4.8
109.06604	8.2
113.02478	1.4
119.03545	1.1
125.09763	3.8
127.11295	3.2
135.08234	1.0
137.09764	1.2
142.02827	1.0
143.03522	0.9
153.09265	2.5
155.10791	3.5
161.04578	2.2
163.11320	6.3
165.09300	0.9
171.10286	100.0
172.10632	5.5
181.08687	1.4
181.12323	3.1
189.09256	1.4
199.09764	21.8
199.13527	2.1
200.10228	1.2
201.09570	1.7
201.11346	21.6
202.11684	1.5
207.10280	26.2
208.10660	1.9
225.09264	1.3
225.11362	16.7
235.08366	2.1
243.12376	2.9
253.09264	12.7
255.23438	1.0
268.05484	0.9
277.21741	76.7
278.22031	9.0
311.67761	1.0
344.85516	1.1
404.94186	0.9
435.18634	3.5
461.20251	5.7
695.39984	1.6
721.41943	4.9
722.41998	2.0
739.42377	1.7
757.43829	17.2
758.44067	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	757.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.3
60.57833	1.0
61.98839	6.0
71.01388	60.8
73.02911	1.4
78.95908	3.2
85.02934	1.5
87.00887	2.7
87.73650	1.1
89.02460	3.2
97.02949	1.1
98.19898	3.1
98.20620	4.5
99.00854	2.1
101.02457	3.8
109.06601	2.7
110.03616	1.0
113.02447	2.2
125.09716	1.7
127.11299	2.6
130.29749	1.1
133.73718	1.1
135.89854	1.0
152.99622	1.7
161.04680	1.3
163.11272	3.2
169.12422	1.2
170.12642	1.0
171.10275	40.5
172.10602	2.6
181.08688	1.2
181.12329	1.9
197.11897	1.4
199.09781	8.3
201.11377	10.6
207.10292	10.7
215.12854	1.3
225.11322	9.0
235.08228	4.9
253.09349	8.0
277.21738	100.0
278.22095	11.6
279.23120	1.6
289.22543	1.1
390.97806	1.1
674.21008	1.3
721.41376	3.3
739.42902	3.0
744.89655	1.1
757.43585	11.9
758.44458	3.3
760.00916	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	757.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.4
59.01385	8.3
59.31344	0.6
61.98851	1.2
68.99830	0.6
71.01389	100.0
72.01733	1.4
73.02955	1.5
83.01421	1.0
83.05045	0.7
85.02961	1.1
87.00882	2.2
89.02441	2.2
97.02967	1.2
99.00902	1.0
101.02442	3.6
109.06599	3.6
113.02463	1.0
115.00430	0.9
119.03515	0.9
125.09708	1.6
127.11298	2.4
129.50775	0.6
133.88902	0.5
135.08167	0.6
145.05063	1.0
153.09247	0.7
155.10776	1.0
161.04494	1.3
161.09660	0.6
163.11266	2.7
171.10286	69.7
172.10605	3.0
181.08745	0.7
181.12369	1.8
199.09749	8.0
199.13382	1.1
201.11351	8.7
207.10283	10.4
208.10635	0.8
214.71829	0.5
215.12810	0.7
225.11342	7.8
226.11638	0.7
235.08209	3.6
243.12369	1.3
253.09311	8.8
277.21741	80.3
278.22092	9.2
420.28314	0.6
435.18710	1.1
461.20374	2.1
721.41516	2.6
722.42230	1.2
739.43274	0.7
757.43842	8.6
758.44214	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
58.00601	1.6
58.90332	0.7
59.01382	31.9
61.98831	4.0
69.85247	2.9
71.01388	5.9
71.05024	1.0
73.02962	1.6
73.70911	0.5
75.12682	0.6
75.62347	0.7
78.95906	1.8
83.05001	0.7
85.02950	1.9
87.00880	0.8
87.59194	0.7
89.02450	3.7
97.02964	1.4
97.06569	1.2
99.00903	6.7
100.87643	0.6
101.02457	3.8
113.02445	2.5
119.03520	0.8
123.08179	1.0
125.09720	7.3
127.11289	7.7
137.09767	1.2
139.11314	1.1
152.99571	1.1
155.10785	2.3
161.04582	1.8
163.11334	4.0
165.09242	2.8
171.10228	2.4
181.12332	7.1
182.12656	0.7
183.10213	1.2
197.11824	0.8
199.09775	2.8
199.13402	13.3
200.13748	1.0
201.11337	88.2
202.11696	4.6
207.10249	11.5
209.11827	0.8
215.12912	0.9
217.14474	3.3
225.11324	27.3
226.11630	1.5
243.12355	9.5
253.09302	7.8
277.21735	42.7
278.22113	4.0
282.39459	0.7
437.20352	1.9
443.31631	0.7
461.20511	6.0
466.18573	0.7
479.21249	1.9
721.41571	3.7
722.41602	1.1
739.42651	11.0
739.64832	0.8
740.43091	2.6
757.43835	100.0
758.44232	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.0
61.98829	7.8
65.35439	1.0
70.93843	1.5
70.94191	2.2
71.01392	6.5
73.02953	1.9
78.95908	4.2
85.02941	2.6
87.28647	1.2
89.02413	2.9
95.05029	1.1
97.02954	1.8
99.00871	4.7
101.02441	5.3
110.90829	1.2
113.02424	2.3
119.03365	1.1
125.09726	4.6
126.13425	1.4
127.11277	2.8
152.99568	3.6
155.10756	2.6
161.04568	1.7
163.11249	4.0
171.10295	2.5
173.81410	1.7
181.12367	6.5
199.09712	1.4
199.13408	9.7
201.11325	41.1
202.11679	1.9
206.71283	1.3
207.10229	8.1
225.11317	18.0
235.08235	5.7
243.12415	4.9
253.09279	7.6
277.21732	91.0
278.22156	9.7
279.23132	1.3
293.21304	1.3
322.94241	1.2
721.41852	5.7
722.42267	1.9
739.42749	8.1
740.43329	1.7
757.43835	100.0
758.44275	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.7
59.01377	0.9
59.84105	0.3
63.02416	0.9
63.43227	0.3
65.00330	0.6
70.18081	1.0
76.48048	0.3
87.00874	0.3
91.70802	0.3
93.03465	0.6
96.96021	0.6
99.04531	1.5
101.02464	1.2
107.01402	1.4
125.02476	1.5
130.19661	0.3
133.02957	1.9
137.02423	0.4
139.00343	1.7
143.03365	0.3
145.02992	0.3
149.02399	0.5
151.00375	2.6
153.01949	2.2
154.02769	1.7
155.03593	0.6
155.05009	0.6
159.04543	0.5
161.04596	0.3
167.03496	0.4
168.04288	1.3
169.05101	2.7
173.04639	0.5
175.04013	1.0
182.03810	0.4
183.04602	1.7
185.02461	0.5
187.03987	0.7
191.05609	1.0
197.45149	0.3
199.04089	1.2
201.02080	0.4
201.11360	1.3
209.11855	4.1
211.03993	0.8
217.05130	0.5
227.03494	1.2
227.12987	0.8
253.09363	0.5
255.03015	78.7
256.03537	11.1
257.04251	0.5
264.78888	0.4
283.02509	100.0
284.03122	19.4
285.04062	29.0
286.04459	2.3
331.10416	1.6
373.11438	2.3
445.20682	0.7
475.14667	7.4
476.14880	0.7
685.97095	0.3
697.17853	0.3
724.90894	0.3
759.17993	0.5
759.36371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.3
59.01388	3.5
61.98838	1.3
68.23901	0.7
71.01393	3.1
85.02970	1.1
86.97327	0.7
87.00898	1.2
93.03465	1.1
96.96031	2.2
99.04526	2.1
100.50683	0.6
101.02452	1.6
107.01408	1.1
125.02438	2.1
133.02943	2.5
149.02490	1.1
151.00352	4.0
153.01981	2.0
154.02756	1.4
168.04170	1.5
169.05078	1.8
171.10278	2.2
173.04543	1.3
175.04018	0.8
183.04512	1.5
191.05621	4.7
199.04050	1.1
201.11348	6.2
207.10393	1.2
209.11852	29.0
210.12166	1.9
211.04152	1.0
227.03471	1.1
227.12900	5.7
235.08154	1.5
253.09221	1.9
255.03009	75.5
256.03586	14.6
283.02515	100.0
284.03131	30.0
285.04062	52.3
286.04376	4.7
331.10107	0.9
373.11398	1.2
437.20270	0.9
445.20773	3.9
475.14682	3.0
514.23236	0.7
629.32263	1.1
637.32068	1.1
647.32336	1.0
715.16846	2.3
759.17224	1.2
759.35913	6.2
760.35852	1.5
765.42743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19433	13.4
56.71386	11.4
56.91809	12.3
61.98836	89.3
72.90955	12.7
78.95937	29.7
80.96526	66.3
83.39918	12.4
83.63946	12.1
98.20657	46.0
112.12095	13.3
137.25708	13.7
152.99629	13.8
158.12640	13.2
200.66852	12.5
277.21735	15.2
279.23315	31.2
694.96411	15.8
759.39679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54634	17.3
60.01556	17.4
61.98831	29.1
63.57574	17.0
66.68794	16.8
67.87318	16.9
71.01363	19.3
78.95902	19.5
80.96534	23.6
98.20676	41.3
98.79179	16.8
175.02307	17.9
209.11905	100.0
227.12833	38.7
253.09335	20.5
273.81848	18.6
277.21667	88.3
279.23160	26.7
304.82919	17.8
351.77310	18.4
498.63992	17.4
666.55554	19.9
759.40808	55.3
760.40155	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	759.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	5.3
59.51300	2.5
61.98828	7.1
65.98605	2.2
69.95063	8.6
71.01390	50.6
71.23827	2.3
78.95889	5.8
83.05040	2.8
101.02446	4.2
113.06040	2.3
127.67700	2.6
152.99542	4.1
163.11253	3.1
171.10300	40.5
173.21062	2.5
199.09753	7.7
201.11305	10.3
202.66158	2.6
207.10201	6.5
209.11845	100.0
209.13821	5.0
210.12225	8.2
219.10114	5.9
225.11305	4.7
227.12926	21.1
240.27553	2.1
253.09189	12.4
263.09018	9.4
277.21759	65.1
278.22095	13.2
279.23312	25.7
280.23611	3.0
365.75122	2.7
390.03873	2.8
445.20737	6.5
447.21204	3.2
700.11969	2.8
723.43665	2.7
759.41138	21.2
760.41620	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	759.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37341	3.8
57.27413	3.7
61.98831	7.0
71.01382	39.1
73.02985	4.7
83.48956	3.8
89.79064	4.4
98.20425	27.5
105.18754	4.6
108.11920	4.4
110.23609	4.6
129.35905	4.5
152.99666	4.5
171.10283	21.8
209.11838	55.4
213.23071	4.5
226.58824	4.2
227.12840	23.8
229.58829	4.6
235.08084	6.8
253.09254	14.1
277.21741	100.0
278.21991	8.9
279.23337	31.8
352.15268	4.3
759.42322	17.6
760.41974	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	759.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
67.16300	13.2
78.95926	33.2
80.96511	32.0
91.12275	13.0
91.83894	14.0
152.99577	25.3
200.46005	15.6
225.11214	18.8
279.23288	52.2
280.23727	19.8
428.12704	16.4
446.96149	14.8
759.39923	77.8
760.40948	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03550	10.3
58.11687	9.4
61.98852	13.2
71.01394	88.2
78.95914	29.0
80.90202	11.0
80.96518	17.0
84.92116	10.3
88.18260	10.0
96.96026	31.9
98.20132	69.1
122.49394	11.3
152.99629	20.1
171.10283	100.0
172.10773	14.1
199.09810	26.3
201.11343	17.0
207.10361	16.0
209.11821	58.5
225.11342	21.9
227.12912	31.1
235.08163	13.1
253.09296	10.3
253.21742	13.7
264.96588	11.9
277.21759	84.7
278.22156	17.2
279.23291	72.7
571.20709	12.2
723.43250	20.6
759.42291	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
59.01383	5.8
61.98840	2.5
69.80737	4.6
71.01389	68.1
72.01781	0.9
73.02954	2.4
78.85704	1.1
78.95909	4.3
83.05049	1.4
85.02941	1.5
86.36749	0.9
87.00854	1.3
89.02455	2.4
97.02963	0.9
99.00873	1.0
101.02451	3.5
109.06627	2.4
112.77373	0.8
113.02444	1.3
116.92883	6.4
117.01952	2.4
121.65018	0.8
125.09766	1.3
126.95529	0.8
127.11282	2.1
127.35678	0.8
135.08138	1.0
152.99612	2.1
160.11078	1.0
163.11299	2.7
165.09149	0.9
171.10286	44.5
172.10623	2.0
181.12338	1.5
191.05733	1.2
199.09752	8.7
199.13377	1.7
201.11328	7.2
207.10278	9.8
209.11897	5.3
225.11391	7.2
227.12828	1.3
235.08315	4.5
243.12376	1.3
253.09308	8.8
277.21686	6.4
279.04407	0.8
279.23315	100.0
280.23672	9.2
461.20535	2.2
531.60327	0.9
697.41730	1.1
723.43115	3.1
741.43982	1.2
759.45276	9.9
760.45245	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	761.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01379	4.4
67.01904	2.6
71.01387	7.5
73.02966	1.4
75.65516	0.8
81.03486	0.8
83.01382	1.4
84.00494	0.8
85.02965	3.5
89.02481	0.8
91.01898	0.9
93.03471	16.3
95.01405	1.4
96.96017	6.1
101.02482	4.0
107.01403	3.2
108.02189	39.9
109.02966	2.8
111.00890	2.5
113.02460	3.2
121.02957	2.1
123.00906	3.0
123.04546	18.4
124.04940	1.3
125.02459	3.4
135.04503	1.6
136.01656	2.2
137.02463	27.7
150.03215	1.1
151.00369	7.2
151.04051	1.3
152.01170	68.8
153.01981	7.0
153.05656	1.1
155.08473	0.8
155.33040	1.0
166.02745	10.4
167.03516	100.0
168.03818	4.7
169.47409	0.8
173.04562	1.9
179.03447	4.8
181.05119	6.5
191.04031	0.9
191.05589	4.8
193.05127	1.2
194.02214	8.0
196.42961	0.9
209.04576	60.6
210.04922	3.0
267.64734	0.8
269.06622	7.2
281.06711	21.6
282.06934	2.2
297.06149	4.1
311.07819	7.5
332.79993	0.9
449.10971	29.2
450.11005	4.0
472.07214	0.9
479.11905	26.0
480.12375	3.3
491.11987	21.7
492.12384	3.0
533.13153	4.4
565.67981	0.9
593.15045	11.5
594.15448	2.2
720.94971	0.9
761.19403	3.4
762.20465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74105	0.3
59.01387	0.6
60.99314	17.6
61.98837	2.3
70.54531	1.2
71.01385	0.7
87.00893	1.5
88.00414	2.1
88.98816	100.0
89.02462	5.9
89.99149	1.2
93.03462	1.3
96.96021	1.4
107.01418	0.4
119.05003	0.7
119.39950	0.4
133.03027	0.5
135.04500	0.7
137.02554	0.7
145.02974	0.7
151.00366	0.6
171.10275	1.1
173.04553	1.1
191.05670	3.6
192.05942	0.5
201.11353	1.5
207.10263	0.8
208.25247	0.4
209.11871	1.8
211.13521	0.5
211.37079	0.4
225.11436	0.4
253.09221	0.6
255.03033	0.8
255.30257	0.4
285.04086	9.0
286.04446	0.7
303.20667	0.4
431.07697	0.4
538.07977	0.4
563.32745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	25.0
64.75930	4.7
71.01387	8.5
71.54240	6.7
78.95918	12.4
80.96519	7.2
83.85866	5.6
88.48293	5.4
89.04631	4.7
132.09816	4.8
172.60800	5.1
207.10287	5.3
209.11865	100.0
210.12161	11.9
227.12915	22.4
253.09384	6.6
255.23312	13.2
277.21964	7.4
279.23349	65.8
280.23672	9.1
350.59888	5.4
422.72449	5.5
445.20667	6.4
491.32251	6.5
526.86859	5.2
585.99805	6.4
761.42529	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19291	3.9
61.98838	22.7
78.95925	4.7
90.64198	3.8
94.47655	3.8
98.20660	10.9
127.71721	4.2
209.11842	66.9
210.12140	5.2
222.42308	4.3
227.12903	14.7
235.08142	12.4
253.09331	10.0
255.23256	8.4
256.95132	3.9
267.64816	4.4
279.23328	100.0
280.23590	10.4
313.75455	4.8
385.77744	4.6
761.41748	24.4
762.41803	7.7
766.24689	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	763.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.0
61.98836	11.3
71.01396	7.5
72.99300	2.0
73.02967	1.7
75.38937	1.7
80.02699	2.3
81.03485	4.0
83.01370	2.0
83.05037	5.1
84.02143	2.4
87.00861	1.6
88.98833	8.9
89.02461	4.0
93.03463	5.9
96.96025	27.5
97.02959	6.5
101.02441	4.5
109.06610	22.4
110.03750	1.8
113.02504	1.8
119.05065	5.4
125.09763	1.8
135.04558	4.8
135.08189	3.6
137.02461	2.3
147.11806	1.8
161.04529	3.4
163.04099	2.4
163.11308	15.2
165.12856	3.7
171.10307	4.3
173.04578	7.5
181.12372	6.9
185.11732	2.1
191.05647	11.8
201.11287	3.0
207.10286	54.4
208.10573	2.9
209.11845	100.0
210.12212	6.6
225.11365	22.5
227.12846	12.8
235.08194	2.6
249.11084	2.1
253.09355	10.4
285.03973	2.9
399.21701	4.9
445.21072	2.1
461.20218	9.1
504.29529	1.9
544.14001	2.0
635.30634	20.7
636.31116	4.2
653.32025	18.1
654.31946	3.7
671.32996	24.0
672.32483	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	763.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32396	2.2
70.76186	4.6
71.01370	7.8
78.98573	3.3
79.95754	11.4
80.96526	75.9
85.02963	2.2
85.54063	1.8
87.00864	3.2
94.98103	15.7
101.02451	3.0
106.98093	1.8
122.97620	3.4
125.02409	2.4
134.97575	4.5
148.13878	2.0
148.99141	8.9
152.98653	5.9
164.98637	11.0
186.66812	2.4
206.99684	3.5
225.00813	22.9
225.86514	2.0
334.58826	2.6
581.50714	2.3
763.39453	100.0
764.39581	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	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19767	0.3
57.84266	0.3
58.60586	0.3
58.87168	0.3
59.01383	0.5
60.99311	17.6
61.98836	3.6
69.60308	0.8
69.60722	1.1
71.01360	0.3
75.07877	0.4
81.30738	0.3
87.00877	1.4
88.00414	4.0
88.98813	100.0
89.02448	14.0
89.99148	1.0
94.90466	0.3
170.19359	0.4
181.50392	0.3
273.81726	0.3
277.21796	0.9
397.13638	1.2
415.14691	0.4
547.54327	0.4
571.30072	0.3
765.38794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
60.99312	18.1
61.98823	1.1
69.54930	1.2
71.01395	0.6
80.96507	0.3
81.51845	0.2
87.00888	2.7
88.00410	5.4
88.01228	0.4
88.98814	100.0
89.02449	26.0
89.99136	1.3
98.20763	0.3
99.55119	0.3
101.02441	0.3
119.79238	0.3
171.60744	0.3
215.56128	0.3
267.36023	0.3
277.21707	1.2
397.13693	1.7
415.14590	0.5
599.12781	0.3
765.37872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.8
61.98842	41.7
65.97541	3.0
71.01391	9.0
71.54922	2.8
71.59304	2.6
72.99334	4.0
75.00884	2.6
77.96103	2.4
82.77334	2.8
83.05006	3.7
83.41074	2.6
83.88443	2.6
85.03001	4.1
88.98830	4.2
89.02467	3.0
93.03468	8.1
96.96038	18.3
101.02443	3.5
119.05041	6.2
121.02929	3.5
137.02466	3.6
147.75612	2.8
163.03981	4.9
163.11334	3.9
173.04591	7.6
191.05641	20.1
192.05852	2.9
202.03491	2.8
209.11861	100.0
210.12219	7.1
227.12918	13.0
235.08127	3.2
253.09308	6.0
285.04294	4.4
393.89862	3.2
421.15320	2.9
467.35132	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	766.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.98524	0.2
70.63857	0.2
70.64189	0.3
96.96006	0.6
117.27075	0.1
145.03006	0.2
152.01276	0.1
163.04054	0.1
167.13586	0.1
191.05708	0.3
209.11960	0.4
254.90578	0.1
332.61398	0.1
357.56561	0.1
400.73694	0.1
588.56714	0.1
689.18243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.8
66.91283	0.4
69.48820	1.1
69.49229	1.9
77.99581	0.4
79.95734	2.1
80.96478	0.5
81.27422	0.5
85.02962	0.9
93.03477	0.9
96.96021	66.8
97.06564	1.1
98.20640	0.7
123.78465	0.5
135.08237	0.6
147.08195	1.3
148.08565	0.4
173.04643	0.5
191.04102	0.5
191.05594	2.6
212.82628	0.4
218.79010	0.4
225.11337	21.0
226.11673	1.5
299.05765	0.9
305.07022	100.0
306.07324	7.9
338.82330	0.4
387.16565	0.5
456.39923	0.5
767.21765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54839	0.2
59.01376	0.3
63.02402	0.2
65.00331	1.2
67.01880	0.6
69.03485	0.2
69.43693	1.1
69.44100	0.2
81.03461	0.2
83.01393	0.5
83.49519	0.2
85.02947	0.2
87.00862	0.3
93.03468	3.9
96.96029	0.7
105.03453	0.2
107.01410	1.8
111.04516	0.5
113.02500	0.2
118.48797	0.2
121.02962	0.3
132.02203	0.5
133.02969	11.6
134.03294	0.3
135.04477	0.2
137.02487	0.2
149.02454	1.7
151.00392	4.2
159.10228	0.2
161.02408	0.2
170.81027	0.2
171.04504	0.3
173.04573	3.0
175.04005	3.0
175.65039	0.2
178.02710	0.5
191.05597	0.7
197.06070	0.4
198.03238	0.4
199.04022	1.9
201.01958	1.0
211.60916	0.2
213.05420	0.4
215.03563	0.6
215.35820	0.2
217.05034	1.6
223.04063	0.2
229.05099	0.2
232.98985	0.2
241.05115	0.6
243.02962	0.6
257.04575	0.3
285.04074	100.0
286.04407	7.9
413.65573	0.2
449.14465	1.3
481.17197	2.3
482.17786	0.3
488.33688	0.2
621.20013	0.2
728.71942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
61.98837	49.1
67.01905	3.3
69.03117	0.5
69.03442	2.6
69.59682	3.4
71.01390	25.8
83.01421	0.6
85.02934	0.8
89.02467	0.7
91.04023	3.8
93.03466	3.1
96.96015	8.5
96.99332	3.2
97.02977	0.5
113.02449	0.8
115.00386	36.2
116.00722	0.8
116.92868	2.1
117.03476	29.6
118.03799	0.9
119.05042	84.8
119.81730	0.5
120.05373	4.1
121.02975	3.9
123.04530	1.7
130.04300	0.8
131.05008	1.1
132.05887	0.9
132.54230	0.7
135.04518	0.7
143.05031	1.3
145.02968	100.0
145.06595	2.5
146.03360	4.3
147.04533	0.6
157.06599	0.9
160.05330	0.7
163.04027	76.7
164.04373	3.5
171.03029	6.5
171.04459	1.1
173.04622	0.6
173.06058	0.8
174.33800	0.6
175.07610	0.9
187.63063	0.6
189.04065	6.8
189.05623	0.7
191.05667	2.8
196.73375	0.9
209.11829	2.2
210.06883	14.3
210.12114	0.7
211.07655	51.1
212.07944	3.1
219.06641	9.2
223.07623	0.6
235.07990	0.6
237.07643	13.2
238.08083	1.0
241.55591	0.6
265.08652	2.4
309.07706	1.9
313.34149	0.6
335.07751	27.7
336.07996	2.2
383.11377	85.2
384.11707	11.4
391.10379	4.6
397.12930	0.8
409.06046	1.2
409.11441	20.0
410.11630	2.4
435.09363	0.7
480.39542	0.6
503.17242	5.3
504.17468	0.9
529.15039	0.8
547.16077	2.4
555.15106	34.7
556.15436	6.3
603.18927	1.4
621.19867	2.9
767.23236	9.4
768.24084	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	767.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
61.09954	0.5
61.98838	100.0
66.60721	0.7
67.01905	1.8
69.03462	1.1
69.59609	1.6
69.60041	1.9
71.01392	13.2
80.96523	0.7
85.02983	0.7
89.02466	0.9
91.04041	1.5
93.03458	2.8
95.27805	0.5
96.96028	7.9
96.99357	1.1
100.63762	0.5
101.02447	0.7
109.02952	0.5
113.02476	0.8
115.00386	16.6
115.01165	1.0
116.92889	1.6
117.03473	12.7
118.03839	0.9
119.05041	42.0
120.05408	1.4
121.03016	1.9
128.03531	0.9
135.04486	0.9
136.32166	0.5
137.33127	0.5
145.02971	49.2
145.06686	0.9
146.03319	2.5
152.01201	0.5
160.05418	0.6
163.04024	39.1
164.04401	1.8
167.03575	0.7
169.57857	0.6
171.03053	4.3
171.10298	0.9
173.04634	1.3
173.06071	0.7
176.62805	0.5
181.09871	0.9
189.04050	3.6
191.05641	4.0
209.11919	2.2
210.06903	6.0
211.07655	21.7
212.08076	1.9
219.06665	4.0
223.48045	0.7
237.07605	5.3
265.08649	1.1
266.05777	0.6
299.42609	0.6
309.07758	1.1
335.07751	15.4
336.08224	1.8
383.11374	45.6
384.11676	5.5
391.10489	2.4
409.11465	12.2
410.11893	1.0
430.59515	0.6
451.66522	0.6
503.16907	3.0
504.17862	0.6
547.16644	0.8
555.15118	20.6
556.15277	4.1
582.85266	0.6
603.18896	1.0
621.20502	1.3
625.48651	0.6
667.14545	0.7
679.38391	2.8
690.62927	0.6
737.32837	0.7
767.22882	5.0
768.24493	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	767.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
61.98833	2.6
67.01875	0.4
70.53198	0.8
71.01382	0.4
78.91903	0.3
78.95910	0.9
79.95749	3.3
87.00874	0.4
93.03452	1.2
94.88265	0.2
96.96020	100.0
100.75529	0.3
109.06570	0.4
117.03468	0.3
119.05039	1.6
120.21399	0.2
127.83447	0.3
133.02986	0.3
135.04536	0.7
145.03009	0.7
155.88823	0.2
163.04036	1.8
171.10287	0.5
173.04549	0.7
179.03546	0.4
191.05637	1.7
207.10295	0.5
209.11780	0.7
225.11357	0.5
227.07358	0.4
253.03908	0.2
259.37433	0.2
313.82556	0.3
383.11353	1.2
399.11038	0.8
449.14746	0.6
612.85150	0.3
749.36597	0.4
767.38098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24015	0.5
59.01388	0.8
60.99313	19.3
61.98826	1.7
68.87474	0.5
69.31752	4.1
82.95444	0.5
87.00888	1.2
88.00423	4.0
88.98813	100.0
89.02447	16.1
89.99149	1.3
96.96061	0.6
98.20033	1.5
105.12664	0.5
171.10326	0.6
207.10262	0.7
235.08432	0.6
279.23260	1.0
370.51886	0.6
397.13684	1.1
398.94189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38968	0.2
59.01375	1.0
60.99311	16.3
69.16486	0.6
69.16909	1.6
69.87478	0.2
71.01352	0.2
76.42323	0.2
81.03466	0.2
83.05033	0.2
85.02961	0.3
87.00883	0.6
87.98277	0.2
88.00428	1.3
88.98814	100.0
89.02448	3.6
89.99135	0.9
93.03473	0.5
95.87176	0.2
96.96016	0.5
101.02470	0.2
135.04474	0.3
167.03522	0.3
173.04546	0.4
191.05652	1.3
197.37543	0.2
251.02437	0.2
392.94827	0.2
437.48312	0.2
677.49597	0.9
678.49921	0.2
692.67639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.59062	0.6
69.59487	0.4
71.01403	0.2
80.96532	0.2
96.96037	1.0
109.88219	0.1
152.53252	0.1
163.04022	0.2
191.05643	0.4
209.11919	0.2
248.26422	0.1
383.11746	0.2
384.11523	0.2
424.81454	0.1
768.32861	0.4
769.30176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98833	1.2
70.08148	0.3
71.01386	0.3
74.67262	0.1
75.62313	0.1
78.95916	0.7
79.95750	3.5
79.96216	0.2
80.96542	0.1
83.05001	0.1
91.57704	0.1
96.96022	100.0
97.95943	0.3
115.00393	0.2
117.03452	0.1
119.05034	0.2
131.71613	0.1
145.02969	0.3
146.03256	0.2
163.04123	0.1
185.11893	0.1
191.05632	0.5
207.10336	0.3
209.11852	0.4
225.11328	0.2
265.07690	0.3
281.06961	0.1
291.33084	0.1
332.29639	0.1
442.26773	0.1
455.17294	0.1
499.15045	0.1
557.15436	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59578	0.7
57.03448	1.4
59.01392	3.6
60.89403	0.7
61.98838	42.3
63.96243	2.4
69.03439	0.8
69.21168	7.3
71.01383	11.0
73.02945	2.9
78.91883	0.9
78.98604	6.3
79.95749	15.7
80.96526	83.3
81.03455	0.9
83.01337	0.7
85.02966	4.4
87.00880	3.6
91.90551	0.8
93.03468	5.5
94.98100	17.7
96.96020	20.2
97.02951	2.2
99.00877	1.1
101.02461	3.1
106.98076	4.7
108.02200	1.0
109.02954	1.7
113.02458	1.2
122.97582	3.2
125.02476	4.0
127.04003	1.3
134.97604	5.3
135.04510	4.0
136.99133	2.6
148.99132	7.4
152.01149	1.4
152.98637	5.4
161.02437	2.1
161.04559	1.2
164.98630	15.8
167.03500	1.9
173.04547	3.6
178.41370	0.7
179.03485	3.5
191.05629	17.5
199.10806	1.3
206.99673	3.4
209.11853	4.6
225.00757	24.8
255.03009	1.6
283.02408	1.2
335.07626	1.4
502.00177	0.9
509.16815	2.7
541.19641	1.7
608.43536	0.8
725.39813	2.3
769.33282	100.0
770.33447	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	15.2
61.98824	7.1
71.01387	13.7
72.65004	1.7
72.90269	2.2
79.95757	4.1
80.96528	18.2
83.05061	2.2
85.02955	3.8
87.00886	2.7
89.02435	5.3
94.98082	5.6
98.20683	4.4
101.02487	10.2
113.02421	4.4
113.53385	1.9
125.02430	3.0
153.12747	2.7
161.04485	2.2
164.98642	3.8
169.12363	51.3
170.12584	2.6
171.10298	2.6
184.85948	2.0
185.11749	3.2
189.18820	2.0
197.11842	100.0
198.12128	4.5
202.23315	1.7
209.11816	12.6
225.00735	7.2
227.12904	2.2
235.08340	2.2
253.09264	10.0
277.21741	85.5
278.22113	9.5
295.14487	1.9
433.20419	3.5
574.10303	2.2
726.39716	2.2
737.41138	93.9
738.41608	26.1
769.42804	64.9
770.43134	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	769.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.9
61.98838	20.8
65.38888	1.1
69.80639	4.7
71.01381	4.5
75.00896	1.8
75.88818	1.2
78.95895	1.2
80.96518	3.2
81.47169	1.0
89.02463	2.1
91.49294	1.2
101.02457	2.8
113.02487	1.4
151.55635	1.3
152.99655	1.2
159.98506	1.1
162.80040	1.1
183.13934	7.6
195.13945	10.0
213.14963	62.0
214.15289	3.6
225.00711	1.8
235.08224	4.8
253.09360	13.9
255.23288	1.6
277.21729	100.0
278.22076	10.5
348.32349	1.2
473.36249	2.3
628.77563	1.6
696.43036	1.5
715.41663	1.2
769.40314	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	771.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99518	0.1
59.01390	0.1
61.98841	0.2
70.99547	0.2
78.84914	0.1
78.95910	1.0
79.95744	3.7
80.96543	0.1
93.03477	0.1
94.98081	0.1
96.96022	100.0
97.95964	0.3
101.02439	0.1
172.91495	0.1
182.27831	0.1
183.72424	0.1
191.05623	0.3
209.11830	0.3
227.13086	0.1
265.07712	0.2
483.15399	0.1
603.24524	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	771.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03443	0.7
59.01384	4.7
61.98830	0.6
69.03472	0.5
69.21197	1.5
69.21622	2.4
71.01394	4.0
71.05022	1.2
73.02960	0.9
80.02673	1.8
81.03476	1.4
82.95399	0.6
83.05034	5.4
84.02164	0.8
85.02957	1.8
87.00906	0.9
89.02452	2.5
91.05526	0.5
93.03440	0.9
95.05032	1.0
96.96018	3.5
97.02951	1.2
97.06603	1.4
98.19851	0.8
98.95569	0.7
99.00934	0.5
101.02448	3.5
101.74689	0.4
107.04998	0.4
109.06611	7.8
113.02451	1.5
115.04155	0.4
115.07694	0.6
119.03539	0.5
123.30312	0.4
125.02403	0.6
125.06082	0.8
125.09733	1.0
127.07636	0.7
135.08160	1.1
137.09694	0.5
137.76639	0.4
141.87578	0.4
143.03564	0.5
145.05060	0.5
151.11293	0.5
153.09209	1.8
153.12842	0.7
161.04549	1.5
163.11339	4.9
164.11581	0.4
165.12843	2.5
169.12338	0.5
171.10310	6.1
172.10677	0.4
173.04517	0.7
181.12379	1.5
183.14008	0.9
185.11903	0.6
191.05641	1.5
191.10796	1.6
197.11864	8.9
198.12218	0.7
199.13445	0.8
201.11313	0.8
207.10260	4.9
208.10719	0.5
209.11850	100.0
210.12189	7.1
211.13412	7.0
211.15382	0.5
221.11926	0.5
223.13535	0.5
225.11317	2.6
225.14948	0.5
227.12904	11.2
228.13226	0.9
235.08261	4.1
235.13399	1.8
237.14975	1.2
251.16339	0.5
253.09302	12.8
254.09724	0.6
289.18054	3.2
303.48663	0.4
307.19180	7.6
309.20746	1.8
325.20209	26.5
326.20612	3.0
327.21759	3.7
367.62033	0.5
433.37845	0.4
445.20630	1.1
461.20197	0.6
543.28082	1.7
561.28979	0.9
582.33514	0.4
735.40381	0.6
753.40869	1.4
771.41962	2.1
772.42419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07910	0.1
59.01375	0.2
61.98830	0.5
66.47135	0.1
71.01378	0.4
78.95908	1.0
79.95745	3.3
86.98097	0.1
96.96020	100.0
97.95963	0.3
100.32607	0.1
101.02473	0.1
118.96691	0.1
171.10284	0.3
181.97942	0.1
182.99625	0.1
191.05589	0.1
201.11259	0.1
207.10333	0.1
209.11850	0.1
225.11365	0.1
241.49159	0.1
253.09441	0.1
277.21844	0.1
293.21378	0.2
311.22418	0.2
330.05667	0.1
330.52032	0.1
332.62894	0.1
397.13742	0.2
404.45935	0.1
407.17722	0.2
435.08371	0.3
453.09241	0.5
495.11041	0.1
596.97717	0.1
713.30389	0.5
714.31122	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	773.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29258	0.1
59.01397	0.1
61.98832	0.5
71.01380	0.4
78.95914	1.3
79.95748	3.8
91.58627	0.1
94.92518	0.2
96.96021	100.0
97.20401	0.1
97.95931	0.4
98.19851	0.1
98.88422	0.1
118.96650	0.1
136.75674	0.1
144.98305	0.1
153.31122	0.1
169.12318	0.1
170.40280	0.1
171.10284	0.2
173.69585	0.1
209.11810	0.1
222.99364	0.1
229.18686	0.1
260.93738	0.1
277.21677	0.1
293.21301	0.1
361.04547	0.1
397.13263	0.1
407.17526	0.2
435.08246	0.3
436.93387	0.1
453.09174	0.5
518.18689	0.1
713.30579	0.6
714.30737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.0
61.98829	7.0
68.81531	3.5
71.01411	4.8
73.53610	3.7
93.66670	3.2
96.96014	26.7
98.19831	5.3
98.95602	3.4
111.94776	3.3
128.17592	4.7
131.61766	3.6
191.05620	7.4
209.11836	100.0
210.12053	4.3
227.12962	21.7
232.51149	3.5
257.54974	4.7
264.59647	3.7
350.98148	4.1
445.20947	14.7
601.89435	4.0
637.32294	5.2
773.37915	19.5
774.38507	8.4
781.81238	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	773.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.3
61.98837	100.0
71.01385	13.1
71.24165	20.7
78.95905	34.7
88.98826	26.2
96.96021	24.8
152.99620	13.4
155.12361	14.3
163.01598	13.1
163.02924	12.5
171.10364	16.2
207.10260	54.7
209.11861	35.9
253.09459	23.5
291.19623	15.8
293.21185	63.4
295.22754	21.6
329.11005	12.6
438.86328	13.1
461.20068	17.9
737.41119	50.2
773.40430	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
61.98839	1.4
67.01900	3.1
69.51725	8.6
71.01373	6.2
73.02973	1.4
85.02955	4.2
87.00886	2.5
89.02465	2.1
92.08610	1.1
93.03474	23.1
96.96029	15.9
99.56776	1.3
101.02461	1.4
108.02169	2.2
109.02956	6.0
113.02450	1.6
115.00392	3.0
119.05042	2.2
121.02942	5.5
121.57379	1.0
122.03755	14.4
123.04526	2.5
124.01603	2.5
125.02465	2.2
125.10024	1.3
133.02971	3.9
134.03720	1.5
135.04530	7.9
136.01689	1.5
137.02464	18.7
139.03947	1.2
139.20500	1.1
145.02916	1.4
147.04559	2.4
149.02460	25.6
150.03239	92.1
151.00388	11.1
151.03806	5.2
152.01135	4.1
152.04800	4.0
153.01950	1.8
155.03462	1.8
155.10782	4.3
159.04541	2.2
161.02440	3.2
162.03188	1.6
163.04030	4.7
164.04820	5.6
165.05585	100.0
166.02739	30.9
166.05920	4.8
167.03471	6.7
173.04558	16.7
175.03990	3.1
177.05614	1.8
178.02658	2.6
179.03484	4.3
179.07040	1.4
180.04254	5.3
181.05083	39.8
182.05461	1.4
187.03989	4.0
190.06354	1.4
191.03787	2.3
191.05612	31.2
192.05927	2.8
193.05009	2.3
195.06651	58.2
196.06956	3.3
199.09824	2.8
205.05093	7.0
207.06584	2.1
208.03851	1.3
209.11877	1.3
220.07387	5.3
221.08261	1.6
223.06094	1.6
226.06471	6.0
233.04506	4.3
234.40909	1.2
241.08687	4.6
266.05945	2.3
279.06525	1.3
281.08170	1.6
294.57327	1.2
315.08923	1.6
329.10312	2.4
335.07620	1.5
339.08548	1.4
343.13980	1.9
372.12488	1.8
381.77563	1.3
387.10022	6.5
387.15125	9.2
388.15045	1.6
402.13080	4.4
403.13922	2.6
416.14722	2.3
417.15540	53.4
417.21173	2.6
417.79965	1.8
418.15790	6.4
439.34946	1.2
449.13892	1.7
535.15564	2.6
547.05060	1.3
550.18250	1.3
565.20813	63.0
566.21204	10.6
583.22046	2.3
585.23486	2.6
595.21808	2.8
597.20349	2.5
613.23010	39.9
614.23175	11.1
615.20746	6.8
659.20148	2.4
683.23303	1.7
721.43152	1.4
750.92975	1.4
775.26825	2.0
775.40723	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41829	1.0
57.77055	1.1
59.01375	3.9
59.30532	1.0
61.98825	3.5
62.88266	1.2
67.01889	3.2
71.01395	6.7
71.53882	1.2
73.42905	1.1
79.95733	2.1
83.01370	1.4
83.04993	1.2
85.02961	4.5
86.47154	1.1
87.00876	2.9
93.03468	22.9
95.05047	1.9
96.96029	16.9
99.00871	1.3
108.02157	2.5
109.02982	6.5
109.56164	1.1
111.04518	2.8
113.02440	1.8
115.00381	2.3
119.05019	4.0
121.02962	4.9
122.03751	16.0
123.04475	2.7
124.01678	1.9
125.02484	1.2
129.11539	1.4
131.04971	1.2
133.01430	1.3
133.02951	3.8
134.03723	2.1
135.04568	6.7
136.01685	2.3
137.02460	17.6
139.04022	1.8
145.02939	1.5
147.04565	1.7
149.02452	25.5
149.06119	1.1
150.03246	96.3
151.00391	11.4
151.03940	6.9
152.01151	3.9
152.04770	4.1
155.10793	3.4
159.04539	2.4
161.02469	3.5
163.04010	3.4
164.04849	7.1
164.05989	1.5
165.05585	100.0
166.02733	32.1
166.05858	5.5
167.03448	6.8
173.02498	1.1
173.03029	1.4
173.04547	15.2
175.03952	2.2
177.01936	2.8
177.05521	3.2
177.15111	1.6
179.03502	3.8
180.04295	4.5
181.05080	42.3
184.03751	1.6
187.04004	2.3
191.03766	2.5
191.05630	30.3
192.04271	2.2
192.06020	1.8
193.05054	5.1
194.06003	1.4
195.06645	67.4
196.06993	3.4
199.09723	3.3
203.03474	1.7
205.05090	6.4
207.06642	1.3
220.07408	6.3
223.06082	2.1
226.06360	7.9
233.04584	5.9
241.08682	5.1
265.05112	1.3
266.05927	1.7
271.86041	1.3
298.53119	1.2
329.10410	2.4
339.08804	1.6
343.14001	2.2
373.12875	1.9
387.10013	6.8
387.15155	9.5
389.44275	1.2
402.13202	4.5
403.14096	2.7
416.14767	2.2
417.15573	56.8
418.15799	7.7
475.34915	1.4
535.16302	2.5
550.18365	2.0
565.20807	63.9
566.21191	14.7
583.21783	2.0
585.23071	4.9
595.21716	2.8
597.19324	1.9
613.23016	41.5
614.23328	9.9
615.20715	4.6
659.19611	1.9
683.22888	1.9
775.27795	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	775.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.7
67.61768	0.1
71.01380	0.3
71.54385	0.1
78.95908	1.3
79.95743	3.8
94.43812	0.1
94.92521	0.2
96.92216	0.3
96.96019	100.0
97.95968	0.4
99.00842	0.1
107.57502	0.1
118.96638	0.1
121.36053	0.1
176.16270	0.1
191.05656	0.3
191.77240	0.1
207.10213	0.1
211.13608	0.1
244.97018	0.1
277.21844	0.1
279.23318	0.2
361.04416	0.1
397.13226	0.1
409.19095	0.2
435.08179	0.4
453.09390	0.5
548.86353	0.1
715.32086	0.6
716.32178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87211	2.2
59.01387	4.9
61.98809	2.9
71.01405	4.1
87.00896	4.6
89.02473	4.2
109.06606	8.6
113.02405	2.2
163.11295	4.4
171.10220	10.1
179.05554	2.7
181.08705	4.2
199.09761	36.2
201.11377	3.6
207.10265	49.5
208.10521	3.2
225.11328	41.1
226.11517	2.7
235.08215	4.5
253.09332	14.5
277.21738	100.0
278.22064	10.3
290.30685	2.4
383.13687	2.4
407.19290	3.1
417.17593	4.0
435.18698	11.1
443.19220	10.9
461.20264	13.1
513.30524	2.5
677.38647	2.8
695.40295	50.9
696.40588	11.2
721.41699	48.4
722.41693	11.9
730.74524	2.6
775.40088	15.3
776.40234	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.3
61.98842	6.8
62.57125	1.8
71.01385	4.3
75.14040	1.9
75.14541	1.8
80.41246	1.9
80.77401	1.9
93.34428	1.9
97.02953	2.6
98.19952	5.7
101.02476	5.1
109.06599	5.4
152.80293	2.2
161.04555	3.1
163.11328	3.2
171.10278	19.1
181.08711	3.4
199.09827	17.8
201.11177	2.1
207.10280	27.5
209.63646	2.4
225.11328	35.6
226.11757	2.1
235.08250	11.0
253.09311	13.5
277.21744	100.0
278.22043	10.4
417.17151	2.9
443.19336	9.5
461.20258	12.4
513.30707	7.5
523.97693	2.2
695.40161	39.3
696.40466	9.4
721.41852	32.5
722.41821	6.5
775.40649	8.0
776.40332	2.3
786.05219	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	775.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66144	4.1
57.22630	4.9
59.01393	5.5
59.22921	4.0
61.98829	27.8
65.78578	3.8
69.16616	46.6
71.01366	8.7
74.66222	3.8
77.18024	4.0
78.95906	13.3
89.02473	5.0
96.96021	39.7
98.20681	8.2
98.95596	9.5
106.99647	4.0
116.92784	5.2
122.59604	4.7
126.88773	3.9
136.36852	4.6
147.59836	4.5
152.99461	4.0
168.91830	4.0
171.10239	9.8
186.50035	4.5
191.05650	11.2
209.11855	100.0
210.12350	4.3
227.12988	25.0
235.08354	5.8
253.09238	11.6
275.20175	6.2
277.21594	5.9
285.18710	4.2
293.21274	50.1
295.22852	7.5
445.20691	6.8
447.81537	5.1
464.11603	4.7
469.05429	5.1
613.81750	5.1
775.40826	24.5
776.41058	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	775.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	0.1
63.66954	0.1
69.71526	0.2
69.71935	0.1
71.01399	0.1
72.93642	0.1
78.95908	0.8
79.95744	3.4
93.03421	0.1
96.96020	100.0
97.95929	0.4
108.29478	0.1
161.02509	0.1
173.04579	0.1
190.72957	0.1
191.05655	0.2
687.05597	0.1
740.15613	0.1
775.47345	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	6.4
69.41750	4.7
69.42152	12.7
70.27135	1.8
70.82263	1.6
78.95911	53.2
79.95710	2.5
80.96533	2.7
81.14384	2.0
94.41463	1.7
95.25376	2.0
96.96969	4.4
97.84898	2.0
122.97581	4.2
129.09238	2.8
136.63492	2.3
146.06091	1.7
152.98399	2.9
152.99606	57.9
171.00621	5.6
171.10258	8.1
197.11932	8.9
199.13454	3.9
211.13458	10.3
227.03343	3.3
253.21776	23.5
254.22034	3.7
255.23322	43.6
256.23560	2.4
291.19925	1.8
293.21262	10.7
304.00027	1.8
309.20694	8.3
311.22256	29.8
325.45273	2.0
443.61734	2.0
447.21591	3.4
521.25104	4.3
539.26239	100.0
540.26801	16.2
657.25269	2.0
775.47662	97.1
776.47894	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	777.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61842	2.8
59.01366	3.4
69.22437	9.6
69.22855	27.3
74.56438	4.4
96.35909	4.1
98.20673	8.1
130.66481	3.3
201.11359	47.6
202.11783	5.5
209.11850	74.5
210.12177	5.8
227.12920	20.1
235.08289	10.1
253.09306	13.0
277.21729	100.0
278.22076	9.7
361.33447	3.8
437.20428	4.7
445.20935	8.7
513.30811	10.1
697.41516	6.7
777.41998	19.3
778.42786	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	777.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01063	3.9
59.01379	9.7
61.98840	18.2
74.33287	3.5
74.56698	4.0
80.96538	6.6
94.92524	5.2
98.19889	9.0
98.20582	15.8
109.06619	7.2
111.43082	4.0
121.43024	3.7
125.09729	4.2
154.17654	3.8
163.11241	7.3
171.10307	13.3
181.51131	4.5
199.09709	33.5
207.10257	36.0
209.11809	8.9
225.11359	35.3
227.12991	5.3
229.59097	3.8
235.08055	5.4
253.09320	14.5
255.23199	6.0
277.21786	12.6
279.23322	100.0
280.23596	11.0
315.81970	4.6
435.18573	10.5
443.19119	10.8
447.30780	4.7
461.20474	9.7
697.41852	46.0
698.41974	12.4
723.43054	40.7
724.43701	12.3
777.41583	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	8.6
70.54114	7.9
78.95915	4.0
80.96545	2.7
103.98302	2.4
109.06580	7.2
111.04846	2.4
152.99652	2.7
161.04559	3.0
163.11296	4.6
171.10284	14.3
181.08679	3.3
190.81482	2.5
199.09763	16.1
207.10304	23.2
208.10287	3.1
225.11356	22.3
226.11655	3.0
235.08246	9.7
253.09296	12.3
254.09860	2.7
255.23196	3.4
277.21747	5.4
279.23309	100.0
280.23654	11.2
303.68787	2.4
382.54483	2.7
417.17462	3.9
435.19043	3.1
443.19345	5.1
461.19836	3.1
494.84149	2.6
515.32086	5.9
661.36047	2.7
697.41669	37.6
698.42310	12.3
718.85944	3.1
723.43347	25.5
724.42950	4.6
777.40216	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
59.01385	2.7
60.99318	5.1
67.01894	11.8
69.03471	4.2
71.01392	5.5
71.54571	1.2
73.02951	0.7
81.03471	2.3
82.75867	0.6
83.05044	2.4
84.03458	0.7
85.02966	1.8
85.64935	0.8
87.00889	17.1
88.74661	0.7
93.03469	100.0
94.03802	3.2
96.96027	8.0
98.35295	0.6
99.00898	1.7
99.04538	1.8
101.02451	0.9
109.02954	0.7
111.04530	11.3
113.02415	1.5
119.05041	2.6
129.01952	2.1
133.02956	2.2
134.03777	8.1
135.04576	4.6
137.02466	3.5
151.04146	0.8
155.03535	2.8
163.03995	1.9
173.04564	43.7
174.04958	1.5
177.01938	1.2
178.02678	5.1
179.03477	3.5
191.05623	6.5
201.11288	3.4
209.11877	3.9
277.55734	0.7
289.12070	0.9
293.10449	2.0
313.06921	1.0
333.10919	0.8
363.47275	0.7
445.11377	2.1
449.14581	45.2
450.14929	6.4
467.15610	66.7
468.15973	8.6
573.84406	0.8
619.17334	1.9
686.01349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	1.5
63.96227	1.6
71.01060	1.0
71.01393	5.7
73.02934	2.0
78.95918	8.7
78.98589	5.1
79.95747	14.2
80.96525	69.4
85.02953	2.4
87.00879	2.3
94.98099	15.5
96.97010	1.9
97.03001	1.7
101.02431	2.6
103.16473	1.0
106.98122	2.4
122.97607	3.5
125.02435	3.0
127.01812	1.1
134.97589	4.5
148.99173	5.2
152.98640	5.1
152.99698	1.5
164.98645	12.5
206.99754	2.0
209.11838	6.8
225.00772	21.0
227.12959	1.1
241.01254	3.0
255.23306	5.5
287.15244	0.9
299.11844	1.2
299.73267	0.9
309.94128	1.0
427.42682	1.0
525.16431	1.5
687.10474	1.1
763.39374	4.3
764.39587	1.7
781.40662	100.0
782.40863	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	21.0
61.98838	58.6
69.52144	7.6
71.01395	8.6
73.02949	1.4
79.95743	3.5
80.02666	1.3
80.96527	17.8
81.03456	2.8
83.05064	2.6
85.02972	3.1
87.00896	2.0
89.02448	5.0
94.98096	4.3
97.02962	5.6
99.00902	2.5
101.02441	6.5
109.06606	35.3
110.03766	1.5
110.06980	2.0
111.00880	1.5
113.02412	2.4
119.03516	1.4
121.06608	2.6
125.02438	1.4
125.09748	1.1
129.01889	1.2
134.97591	1.5
135.08160	2.9
142.02744	2.2
148.99158	1.8
161.04512	1.5
161.09695	1.6
163.11307	19.0
164.98634	2.7
181.12399	3.8
189.09267	2.9
192.95750	1.3
207.10284	100.0
208.10695	6.4
209.11879	3.6
225.00719	3.7
225.11343	37.2
226.11713	2.5
235.08240	3.2
253.09322	14.5
255.23195	1.6
277.21753	83.7
278.22025	6.8
441.33517	2.3
443.19461	7.1
461.20297	13.8
721.41785	32.4
722.42145	7.9
781.40442	17.5
782.40765	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	781.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.3
61.39339	0.5
61.98840	3.0
65.65651	0.4
68.99574	0.8
69.86570	1.0
69.86945	1.8
71.01378	5.0
71.05013	0.8
71.06912	0.6
73.02951	0.9
74.29283	0.4
78.98652	0.7
79.95734	0.7
80.96529	5.0
83.01386	0.6
83.05022	0.7
85.02962	1.7
87.00900	1.0
89.02467	2.2
91.64953	0.5
93.72681	0.4
94.98085	1.3
95.01388	0.5
97.02957	6.7
97.06629	0.7
99.00893	10.4
101.02454	3.1
109.06587	1.6
110.03772	1.6
112.98629	0.7
113.02478	1.6
119.03485	0.5
123.08162	0.6
125.02457	1.3
125.09779	2.3
128.03589	0.6
135.08185	1.5
136.05331	1.4
139.62389	0.5
142.02704	2.6
143.03500	0.9
145.10277	0.6
161.04556	1.4
161.09592	0.5
163.10045	0.9
163.11299	8.6
164.11670	0.9
164.98665	0.8
179.10754	0.5
181.12357	17.0
182.12675	0.8
182.96925	0.5
197.11821	0.6
199.10870	2.1
199.13422	1.4
207.10269	50.4
208.10632	2.4
209.11940	0.8
225.00735	1.3
225.11333	100.0
226.11681	6.8
235.08192	2.0
243.09894	0.7
243.12360	10.2
244.12723	0.7
253.09302	2.6
259.20801	0.7
276.90817	0.5
277.21738	86.7
278.22055	8.9
279.23245	0.8
299.15109	0.7
317.15945	0.9
443.19223	4.1
461.20322	41.9
462.20645	5.1
721.41730	27.4
722.42029	7.9
781.40186	5.7
782.41284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
56.46858	0.4
57.03429	0.5
59.01385	12.1
61.98831	1.7
62.28587	0.4
64.90361	0.4
64.92462	0.3
71.01399	3.6
71.05005	0.5
71.44892	0.8
73.02961	1.1
79.95734	0.4
80.96523	3.3
83.01379	0.6
83.05042	0.6
85.02959	1.4
87.00889	0.9
89.02475	1.9
94.98115	1.1
95.01353	0.5
96.96006	0.8
97.02961	4.3
97.06582	1.0
98.95594	0.4
99.00888	6.3
101.02434	2.8
101.95235	0.4
109.06579	0.5
110.03754	0.8
113.02465	1.2
119.03474	0.4
123.08173	0.5
125.02460	0.9
125.09704	1.9
128.03558	1.1
134.97632	0.8
135.08194	0.5
136.05315	0.7
141.20847	0.3
142.02721	1.7
161.04616	0.8
161.09799	0.6
163.11284	4.4
164.98579	0.8
179.10765	0.6
181.09901	0.4
181.12363	7.9
187.39651	0.4
199.10907	1.4
207.10265	25.7
208.10573	1.9
225.00755	0.8
225.11336	53.2
226.11667	3.8
235.08238	2.8
243.10060	0.7
243.12387	6.1
253.09303	4.0
276.57513	0.5
277.21741	100.0
278.22098	10.1
297.17935	0.4
342.27542	0.4
348.85825	0.5
443.19220	5.0
444.19260	0.4
461.20325	7.9
462.20486	0.9
517.49847	0.4
577.36957	0.8
721.41779	20.7
722.41980	5.3
781.40558	4.1
782.41083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.23
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51200	0.7
59.01383	3.0
60.38061	0.8
61.98834	14.1
67.01879	2.5
67.53282	0.9
67.64688	0.7
68.09989	0.8
69.03458	3.4
70.09564	1.6
70.09966	1.8
71.01015	1.5
71.01389	25.5
75.00854	1.4
78.95898	1.5
84.28209	0.7
89.02455	1.1
89.37323	0.7
91.04012	4.5
93.03458	4.2
93.99912	0.9
96.96023	2.1
96.99323	2.5
98.19987	1.0
100.49084	0.9
100.80500	0.9
105.36565	0.7
107.05047	0.9
109.02967	1.5
113.02431	1.0
115.00385	31.5
116.00700	0.9
117.03479	17.1
118.03822	1.0
119.05039	62.4
120.05353	3.5
121.03010	3.7
123.04530	1.3
131.05051	1.3
132.02180	1.1
133.02966	11.8
134.03772	2.3
135.04541	27.8
136.04869	1.4
137.02470	2.5
143.05046	0.9
145.02968	75.1
146.03264	3.8
152.99612	1.1
159.04431	1.1
160.32359	0.7
161.01138	1.7
161.02457	32.2
161.06076	5.7
162.02827	0.9
163.04022	56.3
164.04352	2.7
171.02994	5.7
173.04604	1.0
173.06059	1.9
179.03529	7.9
185.06070	2.0
189.04068	5.7
191.05595	1.9
191.07170	1.1
197.06042	1.2
199.07635	1.3
205.29411	0.8
209.11839	3.0
210.06833	3.7
211.07617	7.9
219.06624	2.4
225.05516	2.1
226.06436	6.7
227.07158	45.1
228.07518	3.9
235.06108	7.6
237.07640	7.1
239.07138	0.9
253.07181	23.2
254.07460	1.2
283.14600	1.1
307.05841	0.9
335.07770	23.0
336.08069	2.5
351.06897	1.0
383.11377	4.2
391.10672	1.8
399.10858	100.0
400.11212	14.2
409.11441	17.2
410.11829	1.9
425.10840	2.3
491.15601	0.9
545.14410	1.5
555.15070	31.7
556.15271	5.4
563.15698	1.1
571.14648	2.3
637.18982	7.1
638.19568	2.3
711.80261	0.8
783.22784	11.2
783.36310	1.3
784.23248	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	783.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	76.5
59.11443	1.6
61.98834	3.3
63.22483	1.4
68.99825	16.4
71.01411	1.8
71.54005	1.9
76.61061	1.7
79.04469	1.4
80.96528	3.2
86.84818	1.5
94.98064	1.8
95.01407	1.7
96.99321	22.2
112.82143	1.5
132.76500	1.6
138.01927	1.5
139.00412	4.0
140.98343	15.1
141.01907	7.2
143.90576	1.4
159.64442	1.6
160.65948	1.5
189.22256	2.1
209.11812	13.2
227.12903	2.3
242.62737	1.6
277.21768	14.0
411.32129	1.7
438.13544	2.8
481.15170	22.3
482.15558	6.0
495.16779	11.4
496.16867	4.6
497.18243	4.7
498.18805	1.6
514.14868	3.3
522.57220	1.5
539.16125	2.9
540.17108	7.6
541.15863	2.4
554.17975	2.4
555.18945	33.3
556.19019	8.2
572.15436	17.6
573.16345	3.4
585.19391	1.6
586.17035	3.2
641.12091	2.6
641.22656	29.9
642.23206	9.8
701.24756	100.0
702.25134	39.3
783.25317	2.4
783.40051	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	783.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.5
61.98838	100.0
70.25116	0.9
71.01395	8.9
71.68395	1.0
72.99293	1.0
73.02946	1.9
78.98595	4.0
79.95741	10.7
80.96527	54.3
81.03463	1.4
83.05028	2.9
85.02960	3.1
87.00865	2.5
89.02429	1.6
90.58870	1.0
94.98098	14.2
96.96027	2.3
97.02958	1.3
98.20668	2.6
101.02448	3.9
106.98097	2.7
113.02524	1.2
122.97594	2.5
125.02498	2.2
134.97603	5.3
148.99181	5.0
152.98625	2.7
163.11266	3.3
164.98660	10.2
201.11333	1.9
206.99634	3.0
207.10272	3.3
208.10727	2.4
209.11847	64.1
210.12169	3.5
210.85440	1.4
225.00758	16.8
225.11349	4.2
226.11641	1.5
227.12985	6.9
235.08261	1.6
253.09302	5.0
255.23442	1.7
277.21756	48.1
278.22055	6.2
279.22800	1.4
350.06567	1.2
427.77130	1.0
463.20737	1.6
514.68304	1.3
527.17767	1.4
723.42108	1.8
739.39612	4.1
758.73804	1.2
783.42078	68.1
784.42163	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.4
61.06323	0.6
61.98843	6.0
71.01369	2.4
71.53881	1.1
74.56875	0.6
78.95906	1.1
80.02681	0.8
80.96510	2.4
81.03439	0.9
83.05029	3.9
84.02173	0.7
87.00863	0.7
89.02455	1.5
94.99332	0.6
96.96028	1.2
101.02439	2.0
113.02464	1.2
135.08133	0.7
161.77080	0.6
163.08037	0.7
163.11330	3.9
165.12852	1.7
171.10275	0.7
179.05531	0.7
181.12175	0.8
192.22525	0.7
209.11839	100.0
210.12169	6.9
225.11201	0.8
227.12906	15.4
228.13254	0.9
235.08205	2.0
253.09315	7.8
271.22556	0.6
277.21738	52.0
278.22159	6.4
445.20728	1.6
487.12323	0.7
728.47491	0.7
783.41498	2.6
784.41901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.5
59.61740	1.2
61.98823	3.8
71.01385	6.1
77.02838	1.4
78.95927	1.8
78.98587	1.7
79.95737	2.3
80.96520	12.5
81.03457	1.6
83.05030	4.7
85.02950	1.5
89.02442	1.8
94.98102	2.0
95.05025	1.2
96.96033	2.7
98.20638	3.7
101.02444	3.9
104.74262	1.2
110.58659	1.3
113.02434	1.8
114.53368	1.1
120.10119	1.2
121.71165	1.2
163.11288	2.2
164.98643	1.7
191.10793	1.7
207.85535	1.5
209.11850	87.6
210.12218	6.1
225.00716	2.7
227.12929	11.5
235.08194	5.4
253.09268	13.2
277.21744	100.0
278.22125	11.1
312.59784	1.3
330.37027	1.2
445.21384	2.0
508.93298	1.5
738.32928	1.6
783.42065	11.6
784.42444	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	785.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74589	0.3
59.01389	1.3
61.98833	2.8
69.39388	0.4
71.01392	0.5
72.78772	0.4
74.74415	0.3
75.73495	0.4
80.36787	0.4
86.06673	0.4
89.43219	0.4
91.01888	0.6
93.03483	0.5
96.96091	0.3
107.45852	0.4
108.90225	3.8
120.02159	0.9
121.02973	100.0
122.03327	3.7
136.01764	0.5
165.01952	1.5
181.06544	2.3
191.03552	2.0
191.05563	1.3
197.11848	1.8
207.10220	0.5
209.04572	65.8
209.11937	1.1
210.04910	3.5
223.93092	0.4
225.05560	2.2
235.22003	0.4
247.20291	0.4
277.21667	0.7
309.20718	0.8
313.07193	4.4
348.74365	0.4
357.06207	1.8
401.08835	10.7
402.09161	1.0
549.10077	0.7
575.12421	0.6
657.35577	0.6
741.14313	0.5
785.16864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.194
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84843	0.2
69.51556	0.8
69.51986	0.5
71.01389	13.1
72.01730	0.4
89.03973	1.4
95.59061	0.2
96.96047	0.3
98.15507	0.2
106.04271	0.4
115.00384	5.4
117.03473	4.9
120.01250	0.9
134.03755	56.2
135.04085	2.4
137.02466	1.3
139.04039	0.5
149.06107	6.0
150.06419	0.4
165.05591	0.2
178.02725	5.1
179.03152	0.2
191.05653	0.2
193.05069	100.0
194.05402	5.6
196.01753	0.2
228.93803	0.2
307.13901	0.2
309.06198	3.2
310.06635	0.3
349.18997	0.2
365.75754	0.2
411.29422	0.2
449.70468	0.2
805.74255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03456	0.6
59.01385	100.0
60.01725	1.0
61.39716	0.2
69.03475	0.5
69.67590	0.5
69.67996	1.1
71.01389	10.1
72.99317	0.4
73.02956	3.4
79.98964	0.2
80.32900	0.2
81.13335	0.2
83.01402	1.7
85.02963	5.4
87.00895	0.4
89.02462	2.0
93.03476	0.3
95.01402	0.7
97.02975	0.4
99.00896	1.2
101.02459	6.0
101.03117	0.4
113.02470	4.4
113.03248	0.2
117.03471	2.5
119.05038	18.0
120.05381	0.5
121.02991	0.9
125.02485	0.4
143.03539	0.5
144.64372	0.2
145.02965	9.0
146.03322	0.5
149.59637	0.2
153.26604	0.2
159.03004	0.9
161.04567	4.0
163.04030	19.4
164.04373	1.0
219.06641	1.1
237.07796	1.3
285.09460	0.2
315.18155	8.0
316.18527	0.8
357.19263	2.5
383.11380	34.0
384.11728	3.9
615.11584	0.2
761.80298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98557	0.2
70.75976	0.4
71.01400	0.5
78.95912	0.3
79.95739	0.7
80.96522	3.5
80.96964	0.3
85.02978	0.2
94.98102	0.8
96.96029	0.2
100.02856	0.1
101.02469	0.2
106.98100	0.2
112.47326	0.1
119.10986	0.2
123.47820	0.1
134.97638	0.1
139.26840	0.1
139.31223	0.1
148.99190	0.2
152.98643	0.3
164.98688	0.3
165.09563	0.1
209.11809	0.5
225.00754	0.8
277.21848	0.6
278.22144	0.3
279.22867	0.2
333.36850	0.1
573.68860	0.2
786.39203	0.5
787.39478	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	786.429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98542	0.2
62.99271	0.1
70.09045	0.3
71.01388	0.2
72.16874	0.1
78.95930	0.1
78.98611	0.1
79.95750	0.3
80.96524	1.5
94.22626	0.1
94.98103	0.3
96.96024	0.1
97.89645	0.1
101.02451	0.1
131.07137	0.1
133.88148	0.1
134.97658	0.1
143.11305	0.1
148.99132	0.1
164.98643	0.2
171.10454	0.1
174.66818	0.1
202.63187	0.1
209.11903	0.3
210.12248	0.2
225.00851	0.3
227.12956	0.1
231.20853	0.1
277.21884	0.3
278.22202	0.2
289.18283	0.1
360.37158	0.1
362.59436	0.1
369.18613	0.1
555.12573	0.1
683.46027	0.1
787.39569	1.3
787.52875	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	787.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01720	3.4
61.98833	10.7
70.74723	1.3
83.48871	1.5
88.83625	1.5
115.02504	4.9
117.00464	4.7
136.93962	4.0
152.72246	1.6
157.03548	2.8
159.01509	51.6
160.01645	11.0
161.01218	11.1
174.99268	10.8
176.98093	11.0
177.98206	1.5
178.95131	7.0
178.97810	3.1
201.02573	32.4
202.02670	6.5
203.02228	7.2
217.00311	40.4
217.66905	1.5
218.00639	3.3
219.97754	2.4
220.99660	2.0
230.05418	1.6
250.65996	1.5
301.02670	50.0
302.02823	20.2
303.02478	24.0
304.02826	2.1
317.00449	3.9
318.00525	1.9
318.99701	3.1
320.96243	4.1
320.99429	2.3
343.03711	6.1
344.03815	2.5
345.03464	3.7
359.01526	20.1
360.01501	4.5
361.01425	9.7
361.99164	1.8
473.05878	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	787.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	46.3
61.98838	86.4
64.43227	10.4
71.01379	50.7
71.20646	23.9
78.95892	13.6
85.02951	14.8
87.00883	12.3
93.07632	10.5
109.06579	23.3
125.09716	14.3
145.01431	12.3
163.11270	19.2
171.10266	26.1
191.05629	100.0
207.10289	55.2
209.11823	69.1
225.11369	25.6
253.09303	26.9
285.59781	12.8
289.18011	28.6
293.21188	15.5
298.74533	11.2
307.19098	39.2
647.61975	13.4
712.07562	13.4
747.21332	13.5
751.38940	38.5
787.36780	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	787.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01393	0.3
61.98837	100.0
62.98548	0.6
62.99241	0.4
63.96246	0.7
63.99271	0.7
68.69639	0.2
71.01394	2.5
72.12103	0.3
73.02960	0.5
76.25951	0.3
78.95941	0.4
78.98605	1.9
79.95744	3.8
80.02218	0.3
80.96525	20.3
85.02965	0.6
87.00896	0.6
94.98100	4.6
96.96046	0.8
97.02947	0.6
101.02471	0.4
106.98108	1.0
122.97598	0.9
124.38168	0.3
125.02460	0.7
134.97585	1.6
136.99197	0.3
148.99147	1.9
152.98640	1.6
164.98663	3.0
184.86803	0.3
206.99689	0.9
209.11874	0.8
225.00752	4.5
277.21707	0.9
280.23264	0.3
436.43661	0.3
481.40137	0.3
568.97638	0.3
787.39453	20.1
788.39624	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	788.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.3
59.01386	49.3
69.03452	1.3
71.01390	27.4
73.02951	26.1
78.31597	1.2
79.95783	1.6
83.01395	8.3
85.02973	7.3
87.00892	3.4
89.02461	13.2
93.03492	4.0
96.96022	5.1
99.00863	2.3
101.02452	23.9
106.06622	7.2
111.04549	1.6
112.04061	2.7
112.93719	2.0
113.02463	10.0
116.05075	11.5
119.03504	3.5
119.05019	1.9
122.06122	4.9
123.03246	7.0
124.04102	3.3
131.03564	2.2
132.04547	8.3
134.06142	85.4
135.06505	4.2
138.05618	16.0
150.05640	1.4
152.07178	8.1
158.02504	5.0
160.04062	37.7
161.04517	2.8
164.07181	8.0
172.04106	2.3
173.04579	3.2
179.20137	1.6
184.06166	3.8
190.05136	16.2
191.05690	10.8
192.06685	100.0
193.06979	5.6
200.07143	1.3
204.06662	6.4
212.10837	1.8
218.08420	1.9
228.06688	1.7
255.11403	6.2
256.09811	1.5
267.11218	2.0
279.11441	1.9
281.09381	8.3
285.04065	2.5
293.09378	6.0
296.11328	5.4
307.10928	9.4
309.08823	1.9
311.13925	3.4
314.12515	6.2
337.11978	2.7
339.13504	33.9
339.17374	2.8
340.13843	3.3
356.13474	3.7
357.14249	2.5
487.17181	4.1
501.18796	8.4
519.19910	12.4
529.18311	45.5
529.26074	2.8
530.18420	7.4
536.53522	1.7
559.19214	11.9
560.19867	1.8
561.20941	85.4
562.21124	13.6
624.25903	4.3
650.23535	13.3
651.24213	2.7
668.24756	33.3
669.24347	7.2
675.56122	1.7
682.26105	4.1
694.23114	3.2
702.25342	1.9
712.23712	21.5
713.24121	5.4
726.25171	10.1
727.25024	2.3
744.26398	23.5
745.26740	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	789.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.4
55.24108	0.5
57.03454	20.2
59.01377	1.6
67.01899	1.1
68.99834	0.9
71.00903	1.0
71.01405	5.0
72.42039	0.5
72.99319	1.1
73.02957	2.3
75.00890	0.7
79.50372	0.6
83.01389	8.8
84.02172	2.3
84.69691	0.5
84.73600	0.5
85.02959	100.0
86.03288	1.9
88.99306	0.6
96.96019	1.4
99.00901	0.8
101.02459	3.7
101.28703	0.6
111.00896	27.9
118.94207	1.2
120.79104	0.6
121.02965	17.3
129.01958	70.4
130.02280	1.2
143.03494	1.1
159.30426	0.6
161.04579	7.0
177.04016	0.7
187.02434	4.5
191.05661	2.2
205.03545	37.2
206.03857	2.1
265.07108	0.6
267.03055	1.4
293.54086	0.6
299.05606	1.5
301.99527	0.7
309.06088	1.6
327.07336	45.9
328.07544	4.2
353.13467	0.7
373.08273	0.8
407.97156	0.7
461.11234	0.6
485.95395	0.7
787.31116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.9
59.97633	0.8
61.98840	10.7
68.99580	100.0
69.03473	1.1
69.24768	0.8
70.74819	1.9
71.01388	1.1
80.96526	1.7
96.96004	1.1
99.67973	0.7
109.06620	0.9
110.89899	1.0
112.98579	94.3
112.99873	2.7
113.02466	5.3
113.98928	1.3
142.99335	1.0
171.10280	1.1
197.11763	1.4
207.10326	3.7
209.11859	2.5
225.11452	1.6
253.09329	1.6
291.19724	1.4
296.59265	0.9
309.20755	4.0
433.47949	0.9
450.71768	0.8
461.20071	1.0
560.02448	0.9
753.40771	1.9
789.36768	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	789.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11624	5.1
59.01385	14.3
61.72432	4.9
61.98843	41.3
62.08408	4.9
64.03252	4.8
71.01392	15.7
71.23760	12.2
78.95930	10.6
79.67209	4.7
83.05045	6.6
89.02469	10.3
89.91078	5.3
95.94593	4.2
96.96027	27.7
98.67004	5.4
100.34247	5.4
109.06603	11.3
112.90350	5.1
163.11244	12.7
171.10262	10.2
185.11865	6.0
191.05634	14.6
191.14308	5.5
197.11835	7.2
207.10310	51.6
209.11852	100.0
210.12189	11.4
225.11346	26.4
227.12871	18.5
228.78094	4.8
233.97810	5.3
235.08327	8.9
253.09309	22.4
289.18091	35.6
291.19659	20.9
307.19202	41.3
309.20706	47.5
311.22342	11.5
333.15036	5.1
443.19177	5.8
461.20132	6.0
753.40863	29.7
754.40503	6.5
789.37848	37.6
790.38715	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	791.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	15.3
61.98836	31.9
71.01405	18.2
75.00904	5.7
78.95915	15.0
79.95750	6.8
80.96528	24.6
83.01427	5.0
89.02471	9.2
94.98075	6.7
97.12142	5.1
98.20786	10.4
101.02399	5.7
111.04541	14.9
122.97578	5.7
123.08162	5.6
125.09708	5.0
126.70907	5.5
152.99615	6.8
161.09734	6.3
169.12347	6.8
171.10252	34.8
179.10771	14.6
185.11777	6.2
191.05632	7.8
197.11821	5.8
199.09752	31.7
205.08691	17.7
213.11424	6.5
223.09796	66.9
235.08220	6.2
253.09323	12.5
277.21759	100.0
278.22095	14.0
435.18823	7.6
444.88971	5.5
459.18768	18.7
505.03528	6.0
695.40234	23.6
719.39758	33.6
720.40552	13.2
737.41400	40.5
738.41351	11.1
791.39520	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	791.4
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.2
59.66719	5.5
61.98834	83.9
70.38861	19.1
71.01389	16.9
73.70623	6.7
79.70364	6.0
93.03478	12.0
95.67900	5.9
96.96023	34.0
101.02450	6.7
113.02473	7.0
116.92880	8.3
124.95963	5.4
133.02927	7.2
135.04544	21.9
171.10278	17.2
173.04572	9.9
181.75790	5.9
191.05663	28.0
197.11884	10.7
201.11072	7.3
209.11845	100.0
210.12105	6.3
213.10019	5.9
225.11317	9.4
227.12840	30.4
244.94141	5.9
253.09308	30.4
253.11560	6.3
275.55942	5.8
291.19736	17.9
293.21405	9.1
309.20807	72.3
310.20926	8.1
311.22266	10.3
459.85880	6.2
599.28717	11.8
791.40320	43.5
792.39941	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	791.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88457	9.7
61.98838	16.0
98.19962	45.4
98.20666	30.4
132.29439	10.2
133.95346	10.7
143.79388	10.9
209.11812	90.5
227.12921	10.3
229.13341	12.5
253.22504	11.7
277.21765	100.0
338.68375	10.2
414.26248	10.0
791.43402	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	793.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.2
59.01091	0.2
59.01375	0.9
61.98829	1.0
68.99586	0.3
70.81461	0.6
71.01394	0.4
73.02955	8.0
75.00892	0.6
84.05308	0.2
87.00864	0.4
99.00883	2.4
99.92596	11.6
100.92608	0.7
114.93414	0.3
116.92874	100.0
116.97263	10.1
117.01952	13.9
117.05629	0.5
117.92880	5.9
154.45724	0.2
171.10320	0.2
175.98080	0.2
178.78448	0.2
253.09317	0.3
277.21707	0.5
293.21286	0.6
327.16312	0.2
335.17764	0.8
391.29309	0.2
395.63669	0.2
397.13718	0.5
472.23468	0.3
473.10962	0.3
793.40497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
61.98834	3.2
70.75031	0.9
71.01380	0.5
73.02955	5.8
80.96517	0.9
89.02442	0.5
96.96033	1.3
99.00882	1.3
99.92596	11.1
100.92602	0.8
101.02463	0.4
104.01584	0.3
105.23968	0.3
106.48975	0.4
109.33015	0.5
114.93452	0.6
116.92873	100.0
116.97264	29.5
117.01950	8.8
117.92882	5.3
139.45392	0.4
141.01636	0.5
142.48665	0.5
142.57300	0.4
191.05673	0.7
209.11913	1.2
227.12766	0.4
277.21765	1.1
291.19928	0.4
293.21237	1.1
335.17728	3.2
446.77911	0.4
473.10468	0.6
793.52612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98819	1.5
62.89880	0.3
65.06676	0.3
68.09155	0.4
71.01387	0.6
71.54245	0.4
73.02955	4.9
74.81300	0.4
75.00883	0.4
80.96526	0.8
93.41341	0.4
96.96014	1.3
99.00892	1.7
99.92593	10.5
100.92638	0.5
113.09781	0.3
116.92874	100.0
116.97265	28.8
117.01954	9.4
117.92884	6.1
171.10321	0.3
191.05702	0.8
207.10350	0.3
209.11920	0.9
225.11320	0.5
253.09326	0.5
277.21780	0.9
293.21259	1.3
335.17578	3.0
389.04037	0.4
473.10260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	2.0
61.98845	2.1
71.01407	0.9
71.53794	0.4
72.59177	0.3
73.02957	5.0
80.96521	0.4
85.43267	0.3
89.02477	0.5
96.96017	0.8
99.00884	1.6
99.92595	11.2
100.92612	0.7
102.67876	0.4
105.68839	0.3
114.93429	0.4
116.92876	100.0
116.97269	25.4
117.01957	8.1
117.92888	6.1
117.97570	0.3
118.02274	0.4
182.60143	0.4
191.05743	0.4
209.11809	1.1
223.61734	0.4
253.09291	0.5
277.21756	0.7
293.21384	0.6
329.39999	0.4
335.17700	2.3
413.95169	0.4
473.10526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
58.00558	1.3
59.01383	26.2
61.48082	1.2
61.98816	4.6
71.01389	43.2
73.02943	3.4
75.66347	1.4
78.95915	1.8
85.02988	2.3
89.02459	7.0
97.02979	1.4
98.20674	3.5
99.00887	4.5
101.02445	6.1
105.29398	1.3
109.06618	8.0
113.02460	3.6
116.03618	1.2
119.03516	1.4
123.08162	1.4
125.06025	1.7
125.09705	6.2
127.11288	3.9
135.08179	1.8
137.09723	1.9
143.03479	1.6
155.10779	4.5
161.04550	2.3
163.11290	5.3
165.09264	2.5
171.10283	46.9
172.10626	2.9
179.05421	1.8
181.08789	1.9
181.12376	7.6
199.09770	32.0
199.13431	9.0
201.11336	97.7
202.11624	3.4
207.10266	32.2
208.10521	2.0
210.49582	1.5
215.12932	1.7
217.14368	1.9
225.11331	39.2
229.04803	1.7
235.08191	4.5
243.12349	8.5
253.09259	22.6
277.21738	100.0
278.22043	12.3
380.40158	1.3
407.19290	2.9
417.17633	2.7
435.18820	7.1
443.18958	2.2
461.20270	11.8
479.21127	5.2
497.22739	2.1
577.36829	2.2
654.34210	1.5
695.39832	8.8
696.40332	2.4
721.41821	12.0
722.42456	2.6
739.42920	16.1
740.43158	2.7
757.43872	26.7
758.43854	9.3
775.41357	1.8
793.43585	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	793.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	13.9
60.43352	1.1
61.98842	2.2
71.01376	23.1
73.02964	2.0
73.48685	0.8
78.95927	1.2
83.01407	1.4
87.00903	1.4
89.02457	2.2
99.00890	3.9
101.02485	4.4
109.06586	2.6
113.02462	2.6
116.07233	1.0
125.09760	1.6
127.11340	1.3
145.05037	1.4
155.10730	1.7
161.04549	2.4
162.31247	0.9
163.11253	1.8
171.10286	14.8
181.08777	1.3
181.12361	3.5
199.09749	10.7
199.13405	4.7
201.09578	1.6
201.11360	22.8
202.11699	1.9
207.10292	11.4
208.10498	1.1
223.09875	1.5
225.11322	13.8
225.23308	0.8
235.08231	8.7
236.08781	0.9
243.12381	2.5
250.18059	1.1
253.09308	12.7
254.09666	1.2
261.13589	1.3
277.21744	100.0
278.22101	10.7
279.23297	2.7
443.19598	1.3
461.20639	2.1
513.31067	1.6
515.92981	1.1
542.36664	1.0
695.39771	3.4
697.42303	1.6
721.41602	5.4
722.41766	1.2
739.42554	8.6
740.43579	2.0
757.43701	15.7
758.44287	4.2
793.41949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74080	21.4
60.19202	24.0
61.98835	27.0
78.95889	34.5
116.92898	32.8
143.03406	23.5
162.81831	22.2
209.11861	100.0
279.23294	79.0
410.13635	27.3
472.77493	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	795.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00717	0.2
59.01386	6.7
60.58694	0.2
61.98809	0.2
65.00337	0.7
71.01389	1.8
73.02953	1.8
73.92310	0.2
75.69934	0.2
83.01382	0.8
85.02947	0.5
89.02449	0.6
90.98630	0.2
93.03461	0.8
96.96018	3.9
101.02455	1.7
102.24141	0.2
107.01414	1.4
108.02182	0.2
111.04491	0.2
113.02464	0.6
121.02982	0.3
123.82961	0.2
133.02962	5.3
135.04541	0.6
137.02423	0.3
143.03534	0.2
146.03755	0.2
149.02454	1.0
149.04559	0.2
151.00391	3.4
152.01143	0.3
159.04538	0.2
161.02509	0.4
161.04593	0.4
171.04550	0.3
173.04549	0.6
173.05931	0.2
175.04004	1.9
179.03496	0.4
184.73438	0.2
191.05630	1.8
199.04036	1.8
201.01930	0.9
209.11920	0.6
215.03448	0.3
217.05055	1.2
241.05092	0.6
243.02998	0.6
256.03690	0.4
257.04633	0.4
267.02972	0.3
284.03250	1.5
285.04062	100.0
286.01175	0.4
286.04379	8.4
326.94089	0.2
341.80869	0.2
341.85071	0.2
439.58658	0.2
447.09341	17.0
448.09683	2.5
727.45758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98834	7.4
64.22962	0.9
69.03444	1.7
71.01389	3.1
75.85181	1.0
83.01392	1.3
85.02956	1.1
88.98824	3.9
89.02460	1.8
93.03471	3.5
96.96033	9.3
98.20704	1.8
101.02446	1.5
109.02954	2.2
117.03480	11.2
119.05043	49.1
120.05383	2.0
121.02979	8.1
132.02132	2.0
133.02975	18.8
134.03806	4.7
135.04543	21.5
136.04857	1.4
137.02437	2.1
145.02974	31.3
158.07793	1.0
159.04558	2.7
160.01703	2.7
161.02466	62.9
161.06087	2.6
162.02795	1.5
163.04039	46.1
164.04327	2.1
173.04593	1.2
177.01962	1.8
179.03534	8.3
191.05672	5.1
193.05025	2.5
195.38472	1.0
202.38072	0.9
211.07735	1.5
213.16560	1.0
219.06584	1.7
223.07796	1.1
229.13194	1.5
235.06026	5.2
237.07678	2.5
251.07111	4.4
253.04764	1.8
253.07196	21.4
254.07486	2.5
265.05136	1.2
295.05969	5.0
311.05426	1.7
328.25073	1.1
340.05728	1.1
375.98544	1.1
383.11441	9.4
384.11630	1.7
397.09232	1.5
399.10889	60.5
400.11060	5.6
413.13077	5.3
503.92981	1.0
513.42535	1.1
559.12494	100.0
560.12756	17.1
633.19666	2.6
633.85229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01379	1.9
60.99311	0.6
65.03956	0.2
67.01902	2.8
69.03458	0.7
69.17236	1.7
71.01382	1.8
73.02948	0.4
81.03461	1.0
83.01380	0.3
83.05027	0.7
83.59167	0.2
85.02957	8.2
87.00884	5.9
92.38046	0.2
93.03466	21.4
94.03829	0.6
96.96025	1.1
99.00882	0.5
99.04523	0.3
100.60416	0.2
101.02435	0.3
107.05065	0.4
109.02980	0.7
111.04534	3.3
113.02476	0.3
127.04019	2.2
127.79339	0.2
129.01964	0.6
133.02972	2.3
133.26706	0.2
134.03775	1.3
135.04539	32.1
136.04848	1.5
137.02455	2.2
149.02451	0.2
152.83997	0.1
153.01981	0.2
155.03531	0.8
161.02458	6.0
162.02788	0.3
171.03012	0.6
173.04552	5.1
179.03513	30.0
180.03818	1.3
191.05624	100.0
192.05969	3.9
201.57204	0.2
219.80888	0.2
233.06691	0.3
281.06683	0.6
335.07748	0.4
353.08749	1.8
387.16577	0.3
395.09814	2.7
396.10156	0.2
461.10901	1.9
462.11273	0.3
600.45654	0.2
617.15118	0.3
623.16284	0.5
635.16187	27.5
636.16559	5.3
677.17316	1.5
678.16827	0.3
797.21521	20.0
798.21765	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	797.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01377	1.4
60.99311	1.1
67.01899	2.8
69.03467	0.6
71.01385	1.3
71.11907	0.7
81.03452	0.7
83.05006	0.8
85.02956	7.8
85.30423	0.3
87.00885	5.8
93.03467	19.3
94.03807	0.6
96.96043	0.9
99.00925	0.4
99.04523	0.4
99.57402	0.3
101.02422	0.4
109.02956	1.1
111.04520	3.0
113.89742	0.3
127.04028	2.2
129.01929	0.5
133.02966	2.5
134.03741	0.7
135.04536	32.0
135.22903	0.3
136.04846	1.1
137.02454	1.9
155.03558	0.9
160.01616	0.3
161.02454	7.2
162.02708	0.3
171.02995	0.6
173.04584	5.3
179.03513	32.4
180.03856	1.5
191.05626	100.0
192.05975	4.1
212.93896	0.3
258.12494	0.3
281.06805	0.4
289.33102	0.3
293.93253	0.3
353.08997	1.6
395.09604	2.0
461.11063	2.0
617.15240	0.4
635.16199	32.6
636.16559	5.7
677.17462	1.7
678.17438	0.5
797.21497	22.7
798.21973	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	797.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
61.98838	1.1
64.60867	0.4
67.01891	4.7
69.03461	1.6
71.01388	35.5
73.02964	0.6
82.03105	0.4
88.98830	0.9
89.02467	1.3
91.04015	6.2
92.92757	0.5
93.03468	2.0
94.71964	0.4
96.96023	1.7
96.99333	3.9
97.02972	1.0
99.00909	1.1
109.02967	0.4
113.02429	0.5
115.00384	45.7
116.00736	1.3
117.03477	25.1
118.03826	0.9
119.05042	44.8
120.05392	1.8
121.02961	2.5
123.04551	0.7
131.05025	1.1
133.02971	0.8
134.03752	1.7
135.04535	0.8
140.43857	0.4
143.05054	1.8
144.05856	0.5
145.02966	100.0
145.06662	1.6
146.03281	4.4
161.02504	0.8
163.04031	30.3
164.04356	1.5
171.03027	11.4
171.04445	0.7
172.03265	0.5
173.06140	1.4
189.04060	10.0
189.05646	0.7
191.05609	1.0
193.05145	0.8
197.06102	1.2
199.04027	0.5
217.05077	0.7
218.27956	0.5
219.06631	6.2
225.05609	3.5
226.06374	58.0
227.06741	4.5
229.57430	0.5
237.07693	15.6
238.08058	1.3
240.07906	0.7
241.08711	19.3
242.09143	1.2
251.07217	1.5
252.07956	1.0
253.08786	0.8
254.09486	1.1
258.16895	0.4
267.10242	1.1
271.68231	0.4
278.05963	0.5
279.06723	0.6
280.07462	1.1
291.08737	1.1
295.09818	1.7
321.07526	0.6
335.07742	37.9
336.07980	3.3
339.08728	3.2
357.09729	0.6
383.11261	3.4
391.10455	5.9
392.10947	1.0
409.11435	26.1
410.11969	2.9
413.12985	2.3
431.13608	1.2
435.09491	0.5
533.18188	6.5
534.18756	0.9
555.15088	43.7
556.15454	7.6
559.11786	2.8
577.17133	2.4
578.18280	0.5
585.51709	0.5
608.12903	0.5
633.19897	1.4
651.20996	3.4
652.20844	0.6
797.24506	8.5
797.39001	0.6
798.25116	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	799.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
61.98834	16.5
69.03461	2.5
71.01387	16.7
73.99966	0.8
83.01366	1.1
85.02943	1.3
87.00885	1.9
88.98821	2.2
89.02478	1.5
91.04020	4.2
93.03473	8.8
96.96026	9.2
96.99329	1.5
98.94472	0.9
99.00853	1.1
109.02990	2.0
115.00393	20.1
117.03479	7.7
119.05045	45.0
120.05365	2.7
121.02952	3.5
132.02211	2.1
133.02979	25.7
134.03726	4.5
135.04541	49.6
136.04845	1.8
137.02470	6.8
143.05045	1.1
145.02963	33.6
147.04515	1.2
149.06081	1.0
159.04504	1.5
161.02454	74.1
161.06023	7.2
162.02812	3.5
163.04022	45.0
164.04330	1.3
171.02959	1.8
173.04556	3.6
173.05965	1.8
175.42249	1.1
177.01990	1.1
179.03505	15.5
189.04021	5.4
191.05627	9.6
191.07152	1.3
199.07765	1.0
209.11823	8.7
210.06882	1.1
211.07603	3.0
226.06325	3.6
227.07137	20.8
228.07465	1.6
229.17467	1.1
235.06183	10.6
237.07669	4.3
253.07195	38.9
254.07446	2.2
281.08167	1.8
285.04099	1.6
335.07687	3.5
351.07242	2.0
372.95953	0.9
385.07150	0.9
397.13220	1.2
398.73145	0.9
399.10883	100.0
400.11172	11.8
409.11392	3.0
415.10324	13.6
416.10858	2.2
425.10950	9.1
571.14587	13.2
572.14978	1.9
579.14905	1.3
625.23633	1.0
635.17676	1.4
637.19061	6.2
653.18658	5.4
799.22235	21.0
800.22559	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	799.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01144	0.8
59.01385	8.0
60.99294	2.6
61.98824	2.6
65.03925	0.9
67.01895	8.5
69.03454	2.5
71.01398	6.0
71.54445	1.2
73.02946	1.6
73.04981	0.8
80.96494	0.7
81.03460	2.2
83.01418	0.8
83.05038	1.7
85.02955	11.4
87.00893	8.1
88.98825	0.7
89.02473	1.6
93.03469	51.2
94.03772	1.1
95.05022	1.5
96.96026	6.9
99.04543	1.7
101.02434	2.1
105.03454	3.5
107.05040	0.9
108.02199	1.8
109.02966	6.1
111.00929	0.9
111.04526	5.9
113.02469	1.6
115.03979	0.8
119.80575	0.9
121.02961	2.4
123.04578	1.3
124.01643	3.2
125.02473	1.8
126.03125	0.7
127.04034	3.0
132.02148	2.2
133.02971	23.6
134.03775	7.5
135.04543	53.1
136.04881	2.3
137.02470	5.0
139.04007	1.7
143.03371	0.7
149.02431	1.2
150.03238	2.8
151.04015	6.6
155.03484	1.9
160.01648	2.7
161.02504	6.8
162.03223	1.1
172.05296	0.9
173.04581	17.8
173.06071	1.6
174.04854	1.4
177.01959	7.7
178.02716	4.5
179.03523	11.0
180.04146	1.0
184.54933	0.8
189.58110	0.8
191.05630	100.0
192.05978	3.6
209.11885	4.7
209.13545	0.9
211.13531	2.2
215.05602	3.7
219.15236	0.8
252.78555	0.9
283.13580	1.4
285.03989	3.3
299.16357	0.9
301.14288	1.0
307.08264	1.3
308.09091	3.5
309.14880	1.9
325.14890	0.9
327.16122	3.2
345.17282	1.0
351.07248	10.4
352.07910	3.5
353.08688	0.9
353.13989	2.1
369.06299	1.1
520.36725	0.9
563.24524	1.4
581.26025	3.7
607.23993	26.8
608.24548	6.1
625.24652	3.8
799.30371	43.6
800.30554	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	799.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11032	0.6
57.03458	0.7
59.01380	5.1
59.55646	0.7
60.99314	0.8
61.98830	2.1
67.01891	2.6
69.28381	5.4
71.01389	5.1
73.02951	1.4
74.05460	0.7
81.03486	1.2
83.01417	0.8
85.02955	11.7
87.00872	4.3
87.72495	0.7
88.98829	1.7
89.02472	0.7
93.03467	15.8
96.96041	3.9
99.00924	0.8
101.02462	0.7
107.05049	0.9
108.02182	3.2
109.02965	4.3
111.04530	2.8
113.02455	1.9
121.02964	2.4
122.03787	0.9
124.01675	4.8
125.02460	1.9
126.03225	0.8
127.04025	3.0
128.03542	1.1
132.02173	1.4
133.02975	7.8
134.03763	28.8
135.04543	81.8
136.04869	3.0
137.02458	6.9
139.04039	2.2
145.05185	0.7
149.06076	6.9
150.03236	3.7
151.04047	7.2
160.01717	1.5
161.02461	2.7
161.04558	1.0
162.34680	0.7
163.04019	0.9
172.05328	0.9
173.04572	10.1
177.01953	1.8
177.05652	1.2
178.02737	18.0
178.04288	1.3
179.03499	18.3
180.04120	1.0
187.03990	0.9
191.05632	100.0
192.06009	2.9
193.05067	44.4
194.02110	0.7
194.05339	1.3
197.06337	0.9
259.47223	0.8
283.13440	1.3
287.47473	0.8
299.16672	0.8
299.72766	0.8
307.08224	2.4
308.09048	5.2
309.15018	3.9
325.14420	1.8
327.16110	3.0
330.82474	0.8
343.15717	1.4
351.07269	5.1
352.07950	5.6
353.09354	0.9
353.13892	4.8
371.15048	1.4
403.66574	0.8
417.21432	5.0
563.24677	1.5
579.24890	0.9
581.25977	2.7
589.23376	1.8
607.23993	44.6
608.24353	8.0
625.25128	3.7
775.19482	1.0
781.29694	1.7
799.30316	21.6
799.42493	1.3
800.30994	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	800.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
61.98836	100.0
62.98545	0.2
66.23227	0.1
70.08412	0.5
71.01379	0.2
79.95689	0.1
80.36243	0.1
85.02958	0.2
93.03476	0.4
96.96019	2.8
98.34243	0.1
113.02460	0.2
117.03456	0.2
119.05051	0.4
121.02972	0.2
135.04564	0.2
137.02467	0.2
145.02972	0.3
158.40846	0.1
163.04053	0.3
173.04549	0.3
191.05605	1.2
245.62993	0.1
285.03940	0.1
381.09805	0.3
611.34070	0.2
801.36755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
61.98837	0.6
64.83937	0.1
68.99581	0.2
70.81947	0.2
70.82281	0.2
71.01380	1.0
72.99329	0.1
73.02943	0.3
78.95909	0.8
79.95747	3.7
80.96516	0.2
83.58223	0.1
85.02936	0.5
87.00865	0.1
89.02461	0.4
90.19673	0.1
93.03474	0.4
96.96022	100.0
97.95967	0.4
101.02450	0.4
111.04568	0.1
112.98578	0.1
113.02448	0.6
119.03571	0.1
119.05064	0.2
133.02908	0.2
145.36195	0.1
161.04564	0.4
173.04543	0.2
174.28366	0.1
191.05630	1.2
207.10341	0.1
209.11847	0.5
211.13422	0.2
225.11371	0.1
236.87544	0.1
331.19806	0.1
397.13583	0.2
593.33508	0.1
611.34473	0.5
629.35577	0.3
630.35449	0.1
783.37805	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.0
61.98837	54.9
63.96239	2.2
66.18479	0.9
67.01894	1.4
69.03454	1.9
71.01395	15.3
71.54524	0.9
72.83726	1.0
72.99284	1.2
73.02962	4.7
78.91864	1.3
78.95923	1.6
78.98594	8.9
79.95746	21.0
80.96525	100.0
81.03455	2.2
83.01369	1.2
83.05043	1.2
84.97500	1.0
85.02969	10.5
87.00889	7.7
91.73850	1.0
92.92823	0.9
93.03467	10.0
94.98098	25.1
96.96021	25.1
97.02944	2.9
99.00906	1.6
99.04563	1.0
101.02467	5.0
101.63998	1.0
106.98114	4.7
108.02158	1.3
109.02933	2.3
111.04542	1.3
112.48048	1.0
113.02474	1.3
115.00326	1.2
119.04999	2.0
121.02950	1.1
122.97599	5.2
125.02444	5.0
127.04011	1.6
130.78397	1.0
133.02942	3.4
134.03749	2.0
134.97617	6.7
135.04546	9.0
136.99179	1.9
137.02444	3.0
143.03589	1.2
145.02908	2.1
148.99184	6.2
152.98640	8.3
155.03464	1.3
161.02434	5.8
162.03061	1.0
163.04015	2.3
164.97356	1.3
164.98650	15.6
173.04590	6.3
173.05846	1.0
177.01797	1.0
179.03473	3.6
191.05629	38.8
192.05986	1.7
193.05046	1.4
206.99640	4.1
209.11922	7.2
210.12157	1.4
215.05528	1.1
224.98694	1.8
225.00748	25.3
228.80435	1.0
251.06976	1.0
257.08148	1.1
264.13678	1.0
307.80609	1.1
351.07324	7.1
512.09875	2.0
541.19757	4.3
609.15991	2.8
704.16321	4.6
769.32495	1.4
801.23383	4.3
801.35864	99.5
802.24951	1.2
802.36316	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
61.98838	100.0
71.01386	1.5
78.52875	1.2
78.95914	2.1
80.96531	3.0
89.02430	1.5
96.96054	1.4
101.02473	2.4
113.96488	1.5
134.23042	1.3
163.11156	1.5
171.10307	1.8
191.05580	1.7
201.11346	20.5
202.11771	2.1
209.11853	44.4
210.12233	2.8
227.12924	4.8
229.04372	1.4
235.08220	4.2
253.09305	8.1
277.21744	50.8
278.22070	4.8
305.88788	1.4
371.31924	1.5
374.24744	1.4
437.20367	2.0
486.67410	1.4
513.31317	1.8
515.07397	2.0
520.36493	1.6
621.34192	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	802.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	41.9
61.98836	2.2
69.03456	1.8
69.32057	13.4
71.01388	24.9
73.02950	16.1
73.03243	1.4
80.90063	1.6
83.01396	5.8
84.98705	1.5
85.02948	15.4
87.00878	4.8
87.61538	1.8
89.02469	11.0
93.03478	14.4
94.03838	1.8
94.51295	1.5
96.96019	7.5
99.00863	2.1
99.19782	1.9
101.02476	13.1
106.06647	2.9
111.04539	2.8
113.02483	7.3
119.03516	4.5
122.06133	2.8
127.04068	2.1
134.06146	28.2
135.03600	1.7
135.04530	9.2
136.04857	2.4
137.02483	3.7
152.07191	7.3
161.02486	4.2
162.05592	1.9
173.04568	13.0
174.03291	1.7
179.03528	7.0
190.53223	1.7
191.05630	77.8
192.05946	15.7
215.06917	2.0
223.08536	1.7
225.10112	1.6
229.08698	2.5
237.06694	2.2
237.10315	6.5
238.07524	2.1
239.08344	2.6
251.08368	2.9
252.05446	2.3
253.09842	9.5
255.06607	6.2
256.06989	3.0
265.06143	6.4
265.09836	4.2
266.07031	14.7
267.07172	2.0
267.11349	1.9
273.07806	2.6
274.08197	3.0
278.06946	5.6
280.08487	3.0
281.09338	68.2
282.09686	7.6
285.04144	2.9
293.09335	31.8
294.09744	3.8
296.11374	3.4
313.12012	6.1
314.12421	4.3
329.11459	3.1
335.07727	1.8
353.08807	2.7
354.09222	4.8
400.16702	2.0
428.16669	2.6
435.10870	2.2
436.10938	2.2
448.12497	2.0
513.09796	2.7
553.32513	4.0
554.32233	2.7
609.16058	3.2
610.16626	11.5
611.16760	2.6
622.24017	1.8
650.23663	100.0
651.23962	23.3
682.26715	12.4
683.26459	2.0
694.22919	9.1
726.25299	74.3
727.25543	15.4
758.28619	2.0
802.23395	4.9
803.22876	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	802.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92056	0.1
61.98836	100.0
62.98551	0.3
70.09142	0.2
71.01383	0.2
78.90438	0.1
78.95872	0.1
78.98612	0.2
79.95741	0.3
80.96512	1.1
85.02941	0.2
94.98096	0.4
101.02492	0.2
112.37590	0.1
164.98636	0.2
225.00868	0.3
247.13647	0.1
248.93292	0.1
279.23285	0.1
373.97632	0.1
540.92950	0.1
785.37976	0.3
802.38159	0.2
803.38983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
70.67728	0.3
71.01407	0.2
73.02956	0.1
78.95893	0.1
78.98596	0.2
79.95756	0.3
80.96529	1.6
94.98119	0.4
96.96030	0.2
100.12574	0.1
104.24432	0.1
120.20628	0.1
134.97597	0.1
146.49556	0.1
148.99118	0.2
152.98674	0.1
164.98653	0.2
201.11430	0.2
206.99585	0.1
223.48001	0.1
225.00833	0.4
234.86687	0.1
247.09506	0.3
277.21573	0.2
279.23370	0.2
517.34436	0.1
785.38312	0.3
802.24872	0.1
802.37537	0.6
803.38861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
71.09809	0.1
78.95917	0.9
79.95744	3.8
92.19682	0.1
96.96021	100.0
97.95948	0.4
98.95606	0.1
191.05637	0.5
209.11871	0.3
285.04025	0.2
310.51187	0.1
353.14160	0.1
405.91370	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	803.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00592	0.2
59.01385	100.0
60.01724	1.1
63.05120	0.1
71.01385	10.5
72.01743	0.2
72.99307	0.3
73.02956	3.1
75.00887	0.1
76.83575	0.2
83.01392	1.6
85.02956	4.9
86.00140	0.2
86.75050	0.1
87.00899	0.5
89.02451	1.4
93.08357	0.1
95.01414	0.9
96.88390	0.2
96.96024	0.2
97.02976	0.2
98.20661	0.3
99.00887	1.6
101.02449	6.0
102.02837	0.2
113.02460	4.2
113.52191	0.2
119.03522	0.3
133.34108	0.1
143.03610	0.2
159.03050	0.7
161.04567	4.0
278.39270	0.2
285.12680	0.3
315.18130	8.8
316.18549	0.8
357.19232	2.8
358.19769	0.3
771.28448	0.8
772.29175	0.4
803.32220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98520	0.2
69.50232	0.1
70.58083	0.1
70.58439	0.3
71.01389	0.3
78.98634	0.2
79.95731	0.5
80.78621	0.1
80.96523	3.3
82.39785	0.1
90.66310	0.1
94.98100	0.7
95.82699	0.1
97.02980	0.1
101.02455	0.2
105.51351	0.1
106.98133	0.1
134.97610	0.2
145.38042	0.1
148.99142	0.2
149.08318	0.1
152.98660	0.4
164.98695	0.5
167.96274	0.1
209.11853	0.2
225.00763	0.8
226.11708	0.1
277.21692	0.2
338.83798	0.1
339.12891	0.1
527.17969	0.1
726.64368	0.1
804.39453	0.6
805.40491	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	805.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	31.4
60.67690	0.9
61.00417	1.1
61.98827	2.2
67.01892	1.4
71.01393	6.4
71.54585	1.3
73.02954	4.2
79.95755	2.2
83.01386	1.6
85.02956	3.7
87.00878	1.3
89.02451	1.6
93.03468	4.8
96.96027	34.5
101.02455	7.3
109.02936	5.6
113.02445	2.1
115.00364	1.3
119.03500	1.4
121.02969	1.4
123.00899	1.9
124.01663	1.2
132.03067	3.4
133.02902	1.4
134.03719	1.2
135.04504	3.3
136.01729	1.3
137.02457	28.7
137.09747	1.5
150.03255	3.6
151.00386	12.9
151.04002	5.1
152.01213	2.1
152.04752	3.4
153.27548	1.1
159.04488	1.4
161.04588	2.5
162.03157	1.2
163.04037	1.6
164.01143	2.5
164.04779	2.1
165.01949	100.0
165.05576	4.1
166.02745	37.6
167.03424	4.3
173.04546	3.0
175.04010	2.7
176.04742	1.2
177.01923	2.6
177.05594	1.7
178.02666	1.6
179.03514	24.4
179.07129	1.4
180.04306	62.5
181.05090	42.7
182.05396	1.2
187.04047	2.8
190.06384	1.1
191.05635	10.8
192.04338	1.9
193.04956	2.2
194.05907	4.5
195.06654	80.7
196.07008	3.3
205.05089	5.3
207.06654	1.8
209.11897	2.0
210.05334	12.0
211.05893	1.1
219.06633	1.2
220.07436	3.8
225.07707	70.2
226.08057	5.6
229.04808	1.4
359.11118	2.0
372.12265	1.1
386.13559	1.8
387.10162	6.1
387.15302	6.3
402.13263	4.9
403.13992	2.3
416.14816	4.1
417.15585	60.5
418.15857	6.8
506.72110	1.2
565.18658	2.0
595.21881	54.0
596.22211	11.5
613.23303	1.6
643.23956	27.3
644.24341	5.6
673.42889	1.2
805.31134	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	805.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44645	0.8
59.01385	20.3
71.01395	2.3
71.01779	1.6
79.95749	0.9
85.02945	1.0
87.00881	0.9
88.98793	1.4
93.03472	6.8
96.96009	10.9
101.02441	1.2
105.33804	0.9
117.95439	1.1
121.03009	4.5
122.03059	1.0
122.03772	11.6
132.02214	1.1
133.02939	3.3
135.04572	1.6
135.11826	1.0
136.01648	1.3
137.02434	2.3
149.02463	28.6
150.03244	93.5
151.03616	3.5
159.84511	1.0
161.02461	2.5
162.03265	1.1
164.04807	9.2
165.05586	100.0
166.05917	5.2
173.04568	6.0
177.05641	1.9
180.04335	7.1
181.04807	1.1
191.05629	10.6
192.06001	1.2
195.06642	55.1
196.06934	1.9
222.48596	0.9
224.97534	1.2
268.07431	2.2
280.07275	1.1
283.09698	2.2
296.06802	1.3
297.07559	1.1
297.11362	1.4
308.06946	1.3
309.07730	1.5
310.08438	1.2
311.09332	1.0
312.06631	1.7
323.09232	4.1
323.12692	1.3
324.06549	1.3
324.09924	2.2
325.10727	2.6
326.11554	3.5
327.08691	6.8
338.11655	2.3
339.08679	9.2
339.12317	2.1
340.09293	1.3
341.10248	1.2
341.14032	3.2
342.11127	7.8
354.11060	6.4
356.12750	1.1
357.13455	26.0
358.13715	3.9
369.13452	27.5
370.13614	2.9
387.14783	1.1
452.92242	1.0
461.16541	1.4
463.50003	1.1
465.11792	1.0
472.15201	2.1
487.17764	2.2
490.16214	1.7
505.18732	6.3
517.18756	1.4
535.19745	49.6
536.20081	8.7
565.20630	1.6
583.21869	95.4
584.22314	15.2
623.83093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44645	0.8
59.01385	20.3
71.01395	2.3
71.01779	1.6
79.95749	0.9
85.02945	1.0
87.00881	0.9
88.98793	1.4
93.03472	6.8
96.96009	10.9
101.02441	1.2
105.33804	0.9
117.95439	1.1
121.03009	4.5
122.03059	1.0
122.03772	11.6
132.02214	1.1
133.02939	3.3
135.04572	1.6
135.11826	1.0
136.01648	1.3
137.02434	2.3
149.02463	28.6
150.03244	93.5
151.03616	3.5
159.84511	1.0
161.02461	2.5
162.03265	1.1
164.04807	9.2
165.05586	100.0
166.05917	5.2
173.04568	6.0
177.05641	1.9
180.04335	7.1
181.04807	1.1
191.05629	10.6
192.06001	1.2
195.06642	55.1
196.06934	1.9
222.48596	0.9
224.97534	1.2
268.07431	2.2
280.07275	1.1
283.09698	2.2
296.06802	1.3
297.07559	1.1
297.11362	1.4
308.06946	1.3
309.07730	1.5
310.08438	1.2
311.09332	1.0
312.06631	1.7
323.09232	4.1
323.12692	1.3
324.06549	1.3
324.09924	2.2
325.10727	2.6
326.11554	3.5
327.08691	6.8
338.11655	2.3
339.08679	9.2
339.12317	2.1
340.09293	1.3
341.10248	1.2
341.14032	3.2
342.11127	7.8
354.11060	6.4
356.12750	1.1
357.13455	26.0
358.13715	3.9
369.13452	27.5
370.13614	2.9
387.14783	1.1
452.92242	1.0
461.16541	1.4
463.50003	1.1
465.11792	1.0
472.15201	2.1
487.17764	2.2
490.16214	1.7
505.18732	6.3
517.18756	1.4
535.19745	49.6
536.20081	8.7
565.20630	1.6
583.21869	95.4
584.22314	15.2
623.83093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.8
59.01386	100.0
60.01716	1.3
65.03943	0.4
68.13873	0.4
69.03480	0.7
71.01390	20.6
71.25393	0.7
72.99321	0.7
73.02956	21.1
75.00889	0.4
81.03473	0.5
83.01399	6.7
85.02949	5.0
87.00886	1.0
89.02458	4.2
93.03480	1.3
95.01407	0.9
96.96023	2.6
97.02971	0.4
99.00929	0.6
101.02454	23.3
107.01413	0.4
108.02316	0.5
113.02462	8.1
113.03172	0.6
119.03511	2.2
125.02470	0.5
126.90424	4.9
131.03535	1.5
133.02908	0.5
134.23221	0.5
135.04543	0.6
137.02489	0.7
142.84964	0.4
143.03510	1.9
149.04594	3.0
150.03284	1.1
155.03575	0.6
161.04591	8.6
165.05603	1.1
167.03506	0.6
173.04619	1.0
179.03551	0.7
191.05627	4.7
195.06667	1.0
203.05653	1.5
221.06758	1.5
261.13455	4.6
303.14600	1.6
369.13327	0.5
371.20996	0.5
540.67743	0.5
583.22131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	31.9
61.98839	90.6
64.86051	9.8
69.23190	29.4
69.23611	53.5
71.01387	40.3
74.33463	8.3
83.05040	9.4
85.38466	8.9
87.94462	10.9
89.02452	18.0
93.03465	23.1
96.96029	59.1
101.02415	12.1
109.06633	20.7
113.02457	12.6
116.92853	22.6
119.05005	12.2
135.04568	10.7
137.02502	22.4
137.83539	8.9
155.03558	10.6
157.52876	8.6
171.10240	29.1
173.04568	20.4
175.94672	8.2
191.05582	32.2
193.58871	8.5
197.11794	28.3
199.09732	10.5
199.13394	16.5
207.10254	65.4
209.11870	100.0
211.13379	11.3
225.11284	37.0
227.12865	31.8
253.09227	33.6
289.17770	12.1
305.17624	21.8
325.20187	34.7
373.25858	40.9
461.19980	14.7
719.93939	9.9
733.38123	13.3
751.39618	14.7
769.40076	36.8
794.23621	12.9
805.38153	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.0
60.99323	2.8
61.98836	20.5
65.33681	2.2
71.01389	7.8
71.54568	6.0
75.41920	2.9
87.00890	4.0
88.98811	11.0
89.02462	5.4
93.03458	11.4
96.96023	21.5
98.95591	2.5
99.92610	2.8
101.02446	4.7
116.92876	14.3
119.05084	2.9
137.02501	6.0
163.03990	3.8
163.11342	3.5
171.10298	14.0
173.04559	4.7
191.05681	13.3
197.11797	3.8
201.11423	3.0
207.10332	2.7
209.11845	100.0
210.12296	4.8
225.11343	4.4
227.12891	23.1
228.75868	2.5
235.08257	6.2
237.14954	3.2
253.09343	17.0
289.18069	10.4
307.19171	32.9
308.19431	4.4
311.13004	5.6
325.20291	19.3
343.24857	3.4
375.20120	5.1
375.27527	7.0
525.27582	6.0
543.28229	14.0
561.29309	3.0
684.33997	4.2
735.39502	7.3
753.40778	12.7
754.41058	3.3
771.42023	6.0
807.39374	34.0
808.39575	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	807.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	36.4
61.98830	81.0
70.08434	90.5
71.01381	40.9
78.95896	21.1
83.71070	24.0
85.28910	21.8
87.04530	24.0
88.59422	22.1
96.96021	68.7
98.20003	42.2
101.02426	33.2
104.74065	20.5
126.66559	20.0
131.03522	91.7
209.11835	100.0
225.11392	37.6
291.19666	53.5
293.21188	88.2
445.20044	27.2
747.51514	24.7
807.41522	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
58.00602	1.1
59.01386	18.2
61.98837	1.2
63.21111	0.4
69.03460	1.3
71.01389	16.6
72.13532	0.4
72.99308	1.3
73.02625	0.4
73.02962	2.6
75.00889	0.5
78.95900	1.2
79.95766	0.4
80.96539	0.6
81.03478	1.0
82.79374	0.4
82.95413	0.4
83.01399	2.5
85.02960	4.4
87.00883	5.3
88.98799	0.4
89.02453	14.2
90.02800	0.6
95.01398	1.2
96.96010	2.3
97.02962	3.8
98.19956	1.2
98.20652	1.2
99.00901	0.8
101.02451	13.7
102.83983	0.5
107.10490	0.4
111.04526	0.7
112.66805	0.4
113.02456	7.2
115.04076	0.6
119.03510	3.6
121.02993	0.7
125.02467	8.1
125.09732	1.2
127.11304	1.7
128.61530	0.4
131.03549	0.7
133.05113	0.6
137.02451	0.5
139.04076	0.7
143.03493	2.6
152.99612	0.6
153.09097	0.4
161.04602	3.1
164.21989	0.4
167.03508	0.9
171.10283	100.0
172.10645	4.0
179.05614	3.4
180.76190	0.4
199.06102	0.6
217.07187	1.2
218.07465	0.5
221.06636	1.7
235.08231	6.2
253.09309	1.2
255.23308	63.1
256.23660	5.9
259.08224	0.8
263.07605	0.5
269.24942	0.5
287.07825	1.9
293.21271	0.7
295.22775	1.6
301.09366	0.5
305.08707	2.4
323.09879	0.9
379.12433	11.4
380.12537	0.9
397.13525	36.7
398.13928	3.3
415.14569	7.6
416.14963	0.7
551.22900	1.0
569.24542	0.7
581.13208	0.4
635.36597	0.8
653.37506	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	809.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.2
60.99301	1.2
61.98836	2.3
71.01381	4.9
73.02943	1.1
75.00868	4.0
80.50801	1.1
81.93470	1.0
85.02942	2.8
87.00899	1.9
87.91045	1.1
88.98825	3.1
93.03471	6.2
96.96017	11.3
98.95638	1.3
101.02448	1.1
103.00394	7.0
111.04485	1.8
115.13496	1.0
116.92872	1.7
117.03489	8.7
119.05041	16.6
133.03012	1.4
134.03806	1.3
135.04486	1.7
137.02429	2.1
145.02937	9.4
157.80705	1.1
161.02463	3.7
163.04018	8.5
171.10329	1.8
173.04500	8.6
179.03381	1.3
191.05609	14.8
201.11389	1.5
209.05965	1.5
209.11829	7.7
237.05611	2.8
238.06146	1.2
241.05118	1.6
247.04124	1.5
248.04805	1.4
263.03513	3.8
264.04266	6.9
265.05139	9.5
266.05850	5.6
268.03619	1.4
269.04526	6.2
276.04230	1.4
277.05167	1.1
279.03217	1.9
279.06659	4.0
281.08292	5.4
283.06186	6.8
284.06400	1.3
291.03104	1.9
292.03769	4.4
293.04645	6.8
307.02548	2.1
307.06079	1.7
308.03262	1.8
309.04193	2.4
309.07452	1.3
310.04849	2.8
323.05408	2.3
325.07065	3.0
335.02008	14.5
335.05972	1.6
336.02789	22.7
337.03442	7.9
337.07172	2.4
351.05087	28.4
352.05405	2.4
365.06729	2.3
366.07318	2.0
367.08154	1.4
381.09869	1.7
481.11673	2.0
485.24142	3.7
587.67279	1.5
630.13806	1.6
645.16040	3.9
663.17053	2.6
809.20917	100.0
810.21234	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	809.216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	66.1
59.01382	30.3
61.98841	1.9
67.01883	8.6
69.03456	1.9
71.01394	11.8
71.55096	2.8
74.02890	1.9
79.95738	2.1
81.03462	5.0
83.01386	6.2
83.05048	3.5
85.02963	11.9
87.00885	14.0
93.03470	79.8
94.02969	4.0
96.96013	12.0
99.00890	3.3
99.04524	31.3
101.02455	22.9
105.03468	8.3
108.02155	2.9
109.02953	8.5
110.00124	4.4
111.00886	5.9
111.04508	14.2
113.02457	5.9
121.02950	3.0
123.04559	3.3
125.01549	2.9
125.02457	30.1
127.04017	3.1
132.02164	2.3
133.02968	68.0
134.03828	11.8
135.04538	64.1
137.02466	28.5
137.99606	4.9
139.00380	29.3
140.01103	6.0
150.03204	4.0
151.03969	2.2
152.01175	5.7
153.01947	74.4
154.02733	33.5
155.03531	24.7
161.02467	53.4
161.04581	8.6
162.02866	3.3
163.03969	2.3
165.05528	2.3
167.03503	11.2
168.04306	36.0
169.05086	50.1
173.04556	88.8
174.04916	3.4
175.03998	2.3
177.01917	19.7
178.02647	4.5
179.03505	45.2
180.03880	3.2
181.05164	2.3
191.05620	96.0
192.05937	5.5
213.65834	2.3
215.05710	2.3
233.06720	21.4
233.08952	2.9
257.05743	2.5
275.07532	3.4
305.08762	7.8
317.08823	2.1
331.10355	21.7
333.06216	14.9
334.06989	20.6
335.07724	100.0
336.08051	10.4
351.07324	7.1
352.07727	2.2
353.08826	16.9
357.02795	2.0
373.11414	20.7
374.11563	2.2
395.09995	18.6
396.09845	2.7
413.14453	5.8
437.10867	6.5
449.14716	3.9
457.07651	2.1
467.15573	33.9
468.15738	4.7
475.14648	31.3
479.14139	32.2
480.14407	3.9
497.13232	3.3
539.14252	3.9
641.17554	2.4
683.18073	4.8
696.51129	2.0
725.19086	12.6
726.19403	2.8
809.21442	28.0
810.22229	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	809.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.1
61.98827	32.1
66.98044	8.9
69.79312	34.5
87.00847	8.5
93.03457	14.7
96.96026	80.4
98.19888	8.1
116.92847	19.1
119.05006	16.8
123.82436	7.9
163.04077	8.7
171.10240	8.3
173.04526	15.3
191.05554	42.8
197.11826	21.8
201.11348	48.3
209.11819	100.0
211.13248	7.7
225.11394	11.2
227.12953	26.1
253.09334	35.8
301.04611	8.2
302.82126	8.3
309.20703	80.2
310.21219	10.3
320.67184	9.1
356.15561	8.7
437.20435	14.9
545.29230	14.9
724.59747	9.0
809.40576	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08358	100.0
70.16027	23.4
94.55588	25.5
109.35552	25.4
148.77724	27.9
161.81664	27.1
242.81738	27.8
272.15598	32.1
277.21698	38.7
313.00604	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	811.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
61.98829	1.5
71.01376	1.9
85.02961	1.3
93.03451	4.5
96.96037	5.6
101.02399	1.3
108.02217	1.2
109.02979	2.1
113.02453	1.6
117.03478	9.7
119.05042	55.9
120.05380	2.5
121.02957	1.6
123.04502	1.1
131.72449	1.2
134.03740	1.1
135.04564	1.4
136.89217	6.4
137.02461	3.3
145.02959	19.5
157.02968	9.6
159.04509	12.0
161.02454	3.6
163.04025	34.5
164.04280	1.8
173.04561	1.8
185.06090	2.8
190.06413	1.2
191.05620	6.1
203.03574	6.1
219.06573	2.1
225.05577	1.9
229.01422	70.4
230.01709	4.4
231.67284	1.2
237.05545	2.5
237.07657	1.7
241.05008	1.7
249.05450	2.2
253.05098	2.8
259.06140	6.9
264.04263	2.0
265.05042	9.2
266.05847	10.2
267.06506	5.3
268.07321	1.9
269.04611	3.6
281.08261	8.5
283.06284	2.6
283.09769	3.9
292.03635	1.5
293.04544	3.5
294.05292	3.1
309.07736	4.4
310.04837	2.7
325.07166	3.4
327.08719	3.4
336.02866	2.0
337.03537	1.7
337.07208	1.5
351.05038	2.1
352.05679	2.6
353.06592	16.2
354.07065	1.8
366.07333	4.1
367.08160	1.6
381.09753	6.0
383.11554	3.2
423.10861	2.3
501.14453	5.4
530.12494	1.8
531.13055	1.9
545.14740	3.1
547.15961	3.0
573.13879	4.1
647.17560	9.7
665.18726	13.0
666.19153	3.4
811.22461	100.0
812.22992	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.4
61.98819	2.7
65.39153	1.7
71.01373	3.2
83.01397	2.1
85.02945	2.9
87.00873	2.0
88.98837	2.6
93.03464	6.3
96.96001	11.3
105.01934	8.4
106.34088	1.8
108.02199	2.9
116.92849	2.7
117.03471	12.3
119.05045	61.7
121.02949	2.6
133.02972	5.2
134.03706	2.7
135.04550	3.1
136.89186	2.4
137.02501	2.5
137.50862	1.8
145.02972	27.3
148.69061	1.9
150.45219	2.4
151.00395	6.7
157.02931	8.9
159.04495	14.7
161.02423	6.1
163.04025	34.8
167.03571	3.2
173.04514	4.0
179.03564	2.4
187.03987	3.1
191.05681	22.4
193.05164	2.1
199.35362	2.1
201.09268	6.1
203.03574	5.3
209.11832	4.0
229.01440	71.2
230.01729	6.6
237.07681	2.1
251.07283	2.7
253.05177	2.1
259.06067	10.9
265.05017	6.9
266.05725	7.4
267.06577	5.7
268.07254	3.1
269.04639	2.7
281.08298	6.6
283.06299	2.6
283.09625	3.8
304.53357	2.0
310.04718	3.5
325.07245	4.1
327.08765	3.1
336.02667	2.4
351.05005	2.6
353.06873	9.1
353.10471	12.2
366.07281	2.4
381.09842	4.7
382.10214	2.3
397.09058	3.1
413.12589	2.4
423.11142	2.9
446.86078	1.9
501.14459	2.4
547.16022	3.1
573.13855	6.7
647.17682	8.3
665.18756	12.5
692.36462	2.0
811.22534	100.0
812.22583	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	811.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64265	26.3
61.98837	100.0
70.59071	51.9
79.73025	23.1
84.24576	28.0
102.28998	26.6
124.96101	24.1
187.76003	28.3
236.20952	27.4
499.56595	31.4
523.02472	31.8
561.00256	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	813.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98843	2.4
67.01884	5.6
69.03448	4.1
69.46702	9.7
71.01387	47.8
72.55122	1.5
72.99320	1.7
73.02901	1.6
75.00880	27.2
77.74914	1.5
83.01401	1.8
85.02969	1.4
88.98805	5.0
89.02443	2.5
91.04022	8.4
93.03461	4.8
96.96017	9.8
96.99315	2.9
97.02950	1.6
98.19875	1.4
108.02143	1.5
109.02924	2.9
110.46469	1.3
115.00386	56.3
117.03474	24.1
118.51670	1.4
119.05035	74.6
120.05356	4.8
120.15791	1.4
120.51042	1.3
121.02948	4.7
121.40132	1.3
132.02242	1.6
133.02972	16.4
134.03773	15.8
135.04544	34.0
136.04854	1.9
137.02461	5.7
143.04979	2.0
145.02969	100.0
146.03313	6.2
149.06087	3.9
153.01924	1.4
159.04489	3.0
160.01648	5.2
160.05211	1.4
161.02454	55.2
161.06108	7.3
163.04021	61.4
164.04312	3.0
171.02994	8.3
173.06076	2.3
175.04010	4.0
179.03520	10.4
189.04082	12.5
191.05630	3.8
193.05072	6.6
208.35580	1.3
209.11722	6.5
210.06847	3.9
211.07658	13.5
211.52547	1.3
212.07947	1.7
213.05550	4.6
219.06615	4.9
225.05539	1.9
226.06367	13.7
227.07156	6.6
227.12820	1.7
235.06129	10.6
237.07684	12.0
241.05013	11.7
241.08748	4.8
242.05862	49.5
243.06232	3.6
253.07120	27.3
254.07581	1.7
257.08218	29.7
258.08469	3.3
265.08844	1.6
268.01746	1.4
311.09299	1.6
335.07745	34.2
336.08014	2.2
339.08740	1.6
351.07294	2.6
355.08139	2.6
365.08691	2.8
383.11560	2.5
391.10132	3.8
399.10834	73.3
400.11060	9.5
409.11475	24.7
410.11520	2.4
413.12457	3.9
425.11053	9.6
429.11813	4.5
439.12396	1.5
457.36545	1.4
519.17010	1.6
533.17889	3.1
555.15106	45.6
556.15576	7.7
571.14868	4.7
575.14917	2.2
585.15833	2.7
601.15582	2.7
637.19415	2.8
649.20288	2.2
667.20258	9.4
668.20612	2.5
761.91925	1.7
813.23840	28.9
814.23700	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	813.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.00582	0.7
59.01125	0.5
59.01387	7.9
67.01888	1.1
69.18107	5.3
71.01009	0.8
71.01383	8.0
72.99313	2.8
73.02923	1.0
75.00880	9.5
83.01388	0.9
85.02959	15.0
87.00879	4.2
89.02451	2.4
93.03461	1.1
95.01385	2.6
96.96009	1.8
97.54312	0.5
99.00887	5.4
101.06090	61.2
102.06434	1.6
103.00382	1.2
109.02937	1.5
110.90282	0.5
111.00895	1.7
112.01675	0.6
113.02465	11.3
115.00389	1.4
117.01940	1.9
121.02943	0.7
125.02449	0.8
127.03982	0.7
129.01945	3.4
133.02962	6.4
135.04497	1.7
135.19608	0.6
153.01959	1.8
165.01970	1.1
171.10222	0.6
173.04630	0.9
175.02446	0.9
179.03497	1.9
187.03966	0.7
191.05606	8.6
199.04077	1.0
205.03482	1.6
211.04057	2.0
212.04779	2.2
223.03847	0.7
227.03447	1.4
228.04292	0.9
231.05090	1.3
235.55023	0.5
239.03543	1.0
249.06143	9.6
255.02948	0.7
256.03741	8.6
267.03043	0.6
267.07309	1.6
269.04538	1.5
283.02420	2.6
284.03262	9.1
284.06302	0.4
285.03781	0.7
297.06125	1.1
298.04922	2.4
299.05624	71.0
300.05966	6.8
319.27487	0.5
327.07281	1.1
333.11890	1.4
351.12976	100.0
352.13324	8.7
461.10916	39.4
462.11264	5.2
491.20877	0.6
605.87524	0.6
651.16010	1.6
813.21521	2.0
814.21936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	24.7
61.98847	31.6
71.01382	13.0
80.96519	17.1
81.03458	7.4
83.05046	5.8
85.02912	5.2
85.98635	4.3
96.96021	16.8
97.02985	7.6
101.02454	10.0
109.06620	27.7
112.77353	4.8
113.02399	5.1
116.92866	6.7
134.64902	4.6
138.46321	5.1
163.11270	19.2
181.12265	7.9
181.20331	4.8
191.05594	11.0
197.11874	12.9
207.10252	74.1
208.10623	6.4
209.11850	100.0
210.12131	8.6
211.13417	5.6
225.11362	28.9
227.12820	15.3
235.08163	6.4
253.09261	21.7
289.18091	22.0
291.19577	17.9
298.23340	5.6
307.19196	22.1
309.20691	39.7
310.80655	4.7
368.37167	4.8
432.93933	6.3
753.41125	35.2
754.39740	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	815.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.3
60.35733	0.9
61.98831	2.5
66.74239	1.0
71.01375	5.9
73.02941	1.2
78.95919	5.4
78.98579	2.0
79.95724	1.8
80.96533	17.4
81.03487	1.4
83.05024	4.3
85.02975	0.9
87.00867	1.5
89.02441	2.5
94.98086	3.4
95.83707	0.9
96.96974	1.3
98.19978	3.8
98.20672	2.5
101.02441	2.6
106.02074	1.0
106.98088	1.0
122.97617	1.1
134.97578	1.4
148.99118	1.2
152.98573	1.4
152.99663	1.4
163.11285	3.2
164.98572	3.5
171.10249	3.2
201.11374	1.2
209.11844	100.0
210.12221	6.8
225.00726	3.3
225.11266	1.3
227.12901	11.0
228.13242	1.3
235.08150	4.6
241.01234	2.2
253.09254	10.6
255.23192	2.8
277.21747	74.1
278.22150	8.4
279.50449	0.9
432.47537	1.0
445.20886	3.8
446.21259	1.5
534.18951	1.0
641.15900	1.1
690.67493	1.0
725.38770	2.4
779.41064	1.2
797.41040	2.5
815.50586	14.4
816.50031	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
59.52191	0.5
63.96244	2.5
69.03455	1.2
70.02782	2.3
71.01012	0.9
71.01387	11.0
73.02955	2.3
78.95901	0.7
78.98599	8.0
79.95744	16.6
80.96524	100.0
81.03470	1.1
83.01355	0.6
85.02966	3.9
87.00894	2.8
93.25256	0.5
94.98096	22.3
96.96001	1.5
97.02944	1.8
98.20637	0.6
99.00864	0.9
99.04578	0.5
101.02443	2.5
106.98096	3.8
122.97592	4.1
125.02453	4.8
127.04021	1.3
129.19162	0.4
134.97594	7.2
136.99193	1.0
148.99153	7.9
152.98668	7.7
164.98633	14.1
205.46490	0.5
206.99663	3.0
225.00745	17.3
255.23364	2.0
277.21768	0.7
535.87274	0.6
537.27386	1.3
559.25684	1.9
584.94336	0.6
730.77875	0.5
815.49884	88.5
816.50122	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.5
61.98853	0.3
63.96240	2.2
69.03468	1.1
70.11880	1.3
70.12231	0.3
71.01388	10.3
73.02944	2.5
78.47874	0.4
78.98604	6.9
79.95744	18.6
80.96524	100.0
81.03439	1.2
84.41597	0.4
85.02957	3.6
87.00883	2.6
89.01017	0.4
94.98093	21.6
95.01357	0.4
96.96029	1.7
97.02946	2.6
99.00910	0.8
100.15402	0.3
101.02462	3.5
106.98100	3.9
113.02480	0.4
117.17303	0.4
122.97601	4.7
124.10803	0.4
125.02477	3.7
127.04000	0.7
134.97594	6.8
136.99165	2.0
141.01688	1.5
143.03558	0.4
148.99146	8.5
150.97113	0.6
152.98642	7.2
164.98637	15.2
167.00192	0.9
176.98694	0.4
183.16354	0.3
188.98630	0.5
189.25648	0.5
206.99721	3.1
216.57391	0.4
225.00761	17.8
226.01108	0.9
255.23180	1.7
257.46338	0.4
277.21701	1.2
283.04819	0.4
537.27283	1.5
559.25586	2.1
782.65363	0.4
815.49884	91.1
816.50171	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	816.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.9
60.83862	0.2
61.26456	0.3
61.98837	100.0
67.69867	0.3
69.22444	0.5
69.22855	1.9
71.01384	0.6
76.55209	0.2
78.98613	0.4
79.95763	0.8
80.96529	4.3
83.28233	0.3
85.02980	0.4
87.00916	0.3
94.98119	0.8
96.96040	0.4
134.97594	0.6
135.30194	0.2
141.37593	0.2
148.99152	0.4
164.98691	0.5
171.93881	0.3
191.05740	0.5
209.11900	0.5
225.00861	0.5
277.21814	0.3
311.22180	0.3
334.34598	0.2
585.78729	0.3
815.49976	0.5
816.50366	2.8
817.50848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01388	10.3
67.01894	1.8
69.58611	2.2
69.59023	3.9
71.01392	10.5
72.99317	1.2
73.02960	2.2
83.01405	2.6
85.02968	5.7
87.00891	5.2
89.02445	2.9
93.03468	58.3
94.03788	1.7
95.01342	2.4
96.96008	4.7
96.99282	1.1
98.19872	1.9
99.00899	1.4
101.02444	9.1
108.02183	4.8
109.02959	4.6
111.04555	1.9
113.02467	6.3
119.03481	1.1
119.05042	1.6
121.02958	5.1
122.03762	2.5
123.04535	4.0
125.02423	1.6
133.02890	1.4
134.03700	2.0
135.04536	3.8
136.01654	5.7
136.03877	1.0
137.02457	77.1
138.02821	3.0
146.03728	2.1
147.04529	14.1
148.05324	11.0
149.02431	2.5
150.03217	3.4
151.03995	3.6
152.01233	1.1
158.03763	2.1
159.03302	1.5
159.04492	7.6
160.05298	18.3
161.02425	1.0
161.04730	2.1
161.06079	11.7
162.06844	3.4
163.04019	4.1
164.04793	4.2
173.04572	7.1
173.06076	2.7
175.04015	1.3
175.07637	14.2
176.07907	1.0
177.05554	4.9
178.02995	0.9
178.06335	4.1
179.03494	4.1
186.03265	1.2
191.05611	14.8
191.07195	2.1
193.05013	1.7
193.08664	2.2
221.04605	1.5
232.55450	1.1
241.51297	1.0
267.06363	1.0
268.07620	1.4
269.08160	1.0
281.06689	36.7
282.07120	2.3
283.09512	2.0
284.03317	4.1
284.10544	4.5
285.04065	9.7
285.11206	1.9
299.12900	9.1
311.12839	1.7
315.12311	1.2
329.13983	20.2
330.14270	1.8
341.10483	1.3
355.12021	2.8
373.12939	2.1
447.09271	8.0
448.09839	1.6
449.14639	1.2
452.51566	1.2
466.68497	1.0
467.15585	10.5
468.15683	1.6
559.19177	1.5
597.56018	1.4
607.23773	1.4
611.21027	1.7
637.19330	4.7
655.20343	100.0
656.10938	0.8
656.20685	18.8
697.10919	1.3
697.21375	2.7
817.25555	29.7
818.25952	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	817.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
57.79958	0.9
58.00592	1.2
59.01386	100.0
61.98860	1.1
67.01899	1.5
69.50716	4.1
69.51130	1.8
70.63577	0.8
71.01390	31.4
72.99322	1.8
73.02953	14.3
83.01399	5.7
85.02968	10.8
87.00888	1.9
89.02454	18.6
90.98605	1.2
93.03471	14.4
95.01391	3.0
96.96016	8.6
99.00897	1.5
101.02456	20.2
102.05623	1.3
105.84011	0.8
106.37764	0.9
106.67043	1.0
109.02995	2.0
111.04527	1.0
113.02461	19.4
119.03505	8.6
119.05020	1.2
121.02981	1.2
125.02454	2.1
125.46046	0.8
128.03506	1.1
131.03493	1.5
133.03011	3.9
134.03716	1.2
135.04539	9.7
137.02455	7.3
143.03539	4.3
146.04616	2.4
149.04547	1.9
151.04025	1.4
155.03476	1.9
155.10741	1.7
161.02451	3.5
161.04584	6.0
163.04036	1.4
167.03557	1.5
171.72426	0.8
173.04572	9.2
177.01947	2.4
179.03494	4.8
179.05614	5.1
191.05609	13.0
209.11853	6.0
255.03059	1.4
256.03714	1.6
283.02435	1.8
284.03244	2.3
285.04025	6.8
299.05640	8.4
300.05923	1.4
335.04126	1.0
335.07724	3.8
360.01630	1.0
410.88394	0.9
535.30872	1.0
609.32861	9.2
610.32751	1.1
617.15430	1.5
627.33911	17.3
628.34052	3.0
645.34985	4.4
669.34833	9.8
670.35419	2.6
687.36023	8.3
688.36310	2.1
729.37109	2.6
799.30420	3.2
800.31042	1.0
817.24365	1.4
817.37299	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	817.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01726	0.7
61.98837	33.9
69.78138	2.6
71.01398	3.1
73.02975	0.7
78.95921	0.8
79.95763	1.7
80.96526	7.7
82.96134	1.4
84.60897	0.6
85.02974	1.2
85.97489	0.6
87.00911	1.1
89.02471	2.1
94.98119	1.5
96.96021	1.2
101.02471	1.8
113.02521	0.6
115.18915	0.7
125.02482	1.8
141.01718	55.1
142.02054	1.0
161.04678	0.8
162.72740	0.6
164.98627	1.0
176.99901	0.7
191.05592	0.8
197.11781	0.9
209.11922	1.8
225.00787	1.0
235.08336	0.9
277.21735	5.5
295.26572	0.7
311.22296	0.8
359.22076	4.1
397.13535	10.1
415.14911	1.9
419.11935	2.8
437.13046	2.7
648.04822	0.8
675.36383	1.0
697.34479	1.4
739.19189	0.7
817.37164	1.1
817.50854	5.7
818.51642	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	817.385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01714	1.0
61.98838	18.1
65.54921	0.3
71.01391	3.5
71.58675	0.3
72.99338	0.4
73.02946	0.7
75.00843	0.4
78.50241	0.3
78.95956	0.5
79.58714	0.3
79.95751	0.9
80.32771	0.3
80.96522	3.0
85.02949	0.7
87.00896	0.8
89.02437	1.6
89.09742	0.3
92.53358	0.3
94.98100	0.7
97.02935	0.7
98.19930	1.1
101.02450	1.8
113.02453	0.7
122.97570	0.3
125.02444	1.1
141.01718	50.8
142.02025	1.2
153.01587	0.5
161.04544	0.3
191.05652	0.4
197.11763	0.6
209.11919	0.7
225.00847	0.5
235.08276	0.7
243.04938	0.8
253.09245	0.4
277.21713	5.8
278.22049	0.6
344.67349	0.4
359.22086	4.6
360.22327	0.4
397.13568	11.6
398.13864	1.4
415.14569	2.8
419.11615	2.4
437.12756	4.1
469.06866	0.5
620.31610	0.3
675.35632	0.9
697.34039	2.0
698.33990	0.4
816.49762	0.5
817.50494	2.1
818.51489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19925	1.3
59.01381	2.2
61.27292	1.2
61.98836	100.0
71.01390	13.8
71.54458	2.0
72.99307	1.5
75.00878	35.8
78.95895	1.8
79.80000	1.6
80.96528	7.6
96.96020	9.2
130.56564	1.4
140.85487	1.5
166.85995	1.4
171.10283	11.9
201.11331	4.0
202.70059	1.5
207.10400	1.7
209.11806	8.3
225.00845	1.8
247.30260	1.5
253.09164	1.7
277.21750	17.1
278.21933	2.2
278.41718	1.5
293.21021	1.8
456.63126	1.4
733.29224	1.5
817.50867	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98837	100.0
62.92340	1.2
71.01385	10.7
71.53789	1.2
71.54218	1.6
75.00877	13.1
79.95747	2.6
80.96520	4.5
84.94955	1.3
88.98852	1.4
94.98111	1.2
96.96015	6.6
136.55769	1.1
171.10274	4.9
201.11334	3.4
209.11946	2.2
213.23640	1.3
213.73865	1.4
235.08153	1.2
277.21805	15.2
278.21902	2.1
305.43079	1.3
370.28973	1.1
402.84842	1.3
757.28198	1.5
817.50806	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	818.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98536	0.2
71.01389	0.5
78.98615	0.3
79.95734	0.6
80.96528	3.4
83.46499	0.1
85.02993	0.2
87.00909	0.1
94.98103	0.8
96.96027	0.3
101.02460	0.2
106.98083	0.1
118.27287	0.1
123.87128	0.1
125.02423	0.1
134.97604	0.3
148.99197	0.3
152.98648	0.3
162.01343	0.1
164.98671	0.6
206.99690	0.1
209.11839	0.3
210.12251	0.2
218.56425	0.1
225.00848	0.7
277.21616	0.6
278.17679	0.2
278.22028	0.2
279.22873	0.1
291.19833	0.1
674.91095	0.1
819.41980	4.1
834.29138	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	819.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.0
69.03448	1.5
71.01389	5.9
71.53957	0.6
73.02956	5.2
77.47815	0.4
79.95753	1.2
83.01410	1.4
85.02962	2.1
87.00899	0.7
89.02453	1.6
93.03467	3.0
95.01398	0.6
96.95385	0.9
96.96023	18.4
98.72186	0.4
101.02454	5.1
107.05034	0.5
109.03010	0.7
113.02477	3.6
117.03504	2.9
119.05042	33.3
120.05363	1.2
121.02979	1.0
123.04446	0.5
133.02977	7.2
133.73074	0.4
134.03720	1.8
135.04546	19.7
136.04842	0.9
136.07620	0.4
137.02481	2.5
143.03517	0.8
145.02968	16.8
147.04492	0.5
149.04524	0.8
155.03528	0.6
159.04491	0.8
161.02467	21.8
161.04604	1.6
161.06006	3.1
162.02815	1.0
163.04027	37.8
164.04373	2.1
173.04546	1.8
173.06009	0.6
176.74571	0.4
179.03516	6.6
191.05626	6.0
191.07184	0.7
193.05060	0.5
209.11757	0.8
214.12532	0.4
219.06609	0.5
235.06165	4.8
237.07713	2.1
253.07198	19.9
254.07541	1.2
257.12985	2.3
285.04147	0.9
301.11932	2.3
311.07352	0.5
399.10886	100.0
400.11185	13.0
483.91663	0.6
775.42035	0.8
783.48456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	0.7
59.01385	5.5
61.91034	0.3
67.01900	1.5
67.81822	0.3
69.16621	3.2
71.01393	1.2
79.05547	0.3
83.01450	0.3
83.05052	0.3
83.94061	0.3
85.02956	3.1
87.00896	1.2
89.02477	0.8
91.05570	0.3
91.19740	0.4
93.03478	5.2
95.05060	0.9
96.53561	0.3
96.96024	4.4
98.19946	0.9
101.02456	0.8
102.05628	1.0
103.24592	0.4
103.25343	0.3
108.04573	0.8
109.03005	0.5
111.04562	0.9
120.04562	2.2
121.03018	0.4
121.05370	2.3
122.06141	5.6
127.04020	0.5
128.03532	0.6
130.02925	0.4
132.49231	0.3
134.06136	2.7
135.04526	1.0
135.06886	1.1
136.07698	11.7
137.02492	1.1
137.08032	0.6
146.04639	2.0
146.06136	0.3
148.07733	0.4
150.05592	0.4
152.07195	0.4
154.46735	0.3
155.03510	0.5
158.02502	1.0
161.07195	1.1
162.03137	0.3
162.05634	0.9
171.11874	2.4
173.04588	3.1
179.03516	0.7
184.07727	0.7
186.09282	0.7
189.06702	0.4
189.10358	0.6
190.05124	5.0
191.05643	17.8
192.05977	0.4
198.09288	1.8
199.10048	1.4
214.07346	0.5
214.12398	12.6
215.12741	0.8
226.07425	0.7
227.08345	2.6
228.08975	0.7
229.09837	4.8
230.09924	0.5
230.11903	4.4
239.11894	0.4
240.10493	0.4
241.09851	7.7
242.10622	16.1
243.10966	1.3
256.12091	0.5
257.12979	83.4
258.13284	6.2
283.10977	0.6
285.04150	0.5
293.04443	0.4
294.05316	0.6
295.06226	0.5
301.11957	100.0
302.12299	8.8
337.12012	1.2
338.12674	0.5
435.10776	0.5
494.37048	0.3
495.36359	0.4
512.09320	0.5
517.18304	19.0
518.18658	3.0
555.79034	0.4
609.16632	1.5
610.16418	0.5
614.22058	0.3
663.20685	0.3
715.27222	0.5
743.29260	0.5
747.29620	0.3
775.31549	0.6
787.27789	0.8
801.22247	2.2
802.22723	0.9
819.32098	1.5
820.32935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01709	1.0
61.98838	7.8
62.22746	0.4
68.97919	0.5
70.54212	1.3
71.00787	0.5
71.01394	3.0
73.02980	0.5
80.96542	1.3
89.02473	1.7
94.78879	0.4
96.96057	0.7
96.99361	0.5
97.02993	0.8
98.20606	0.6
101.02477	1.9
112.38933	0.4
113.02496	0.6
119.03572	0.5
125.02473	0.7
139.84763	0.4
141.01720	49.4
142.02061	0.7
142.05083	0.4
181.50429	0.4
191.05672	0.5
217.90533	0.4
279.23300	5.7
280.23788	0.8
341.61203	0.5
361.23615	5.0
397.13568	10.0
398.14111	0.7
415.14536	2.1
419.11734	2.0
437.12793	3.2
677.36938	0.7
699.36102	1.6
819.52454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98836	100.0
71.01392	0.6
78.91909	0.3
78.95909	0.3
78.98627	0.4
79.95759	0.8
80.91689	0.5
80.96523	4.1
80.96962	0.3
82.95397	0.2
85.02965	0.2
94.98109	0.9
96.96018	1.1
98.20636	0.3
101.02473	0.3
109.09116	0.2
113.02518	0.2
125.02485	0.2
134.97606	0.3
148.99205	0.3
152.98651	0.2
158.13834	0.2
164.98651	0.7
195.13889	0.2
197.11830	0.5
223.13475	0.2
225.00768	0.8
253.09373	0.5
277.21881	0.4
279.23355	0.4
291.19873	0.4
293.21243	1.7
309.20697	1.4
463.69543	0.2
575.93866	0.2
705.47034	0.2
731.36902	2.2
803.39160	0.4
820.42480	2.0
821.40729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.2
61.98837	100.0
62.98553	0.3
71.01408	0.5
78.91915	0.4
78.98603	0.2
79.95733	0.5
80.91705	0.2
80.96527	2.6
87.00912	0.2
94.98114	0.6
96.96033	0.6
98.19922	0.5
122.50745	0.1
123.23069	0.2
148.99153	0.3
152.98618	0.3
155.21436	0.1
160.34874	0.1
164.98662	0.4
165.09590	0.2
171.10306	0.2
196.64874	0.1
219.10059	0.2
225.00726	0.5
225.11436	0.2
243.61234	0.2
247.09514	1.0
253.09294	0.2
265.10645	1.0
277.21829	0.5
291.19800	0.3
292.92584	0.2
293.21320	0.3
309.20798	0.3
429.31580	0.2
483.18707	0.2
501.19351	0.2
731.37170	1.7
759.95953	0.2
803.38965	0.4
820.41461	0.2
821.39752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.7
61.98834	70.4
62.39444	9.2
68.69876	9.6
71.01388	77.0
71.54372	13.5
73.25131	8.1
74.61736	8.3
78.95918	12.6
79.95755	9.0
80.96523	20.1
82.95443	47.4
83.00552	7.9
83.05020	8.8
87.00864	10.1
89.02435	10.8
94.36167	7.7
94.98111	10.1
96.96038	16.1
101.02480	11.5
109.06573	35.5
113.06046	12.5
133.26227	8.5
163.11226	20.4
169.14325	8.9
171.10274	22.2
188.32947	8.8
201.11278	24.7
205.08722	14.5
207.10269	100.0
209.11844	81.1
223.09827	13.9
223.49017	8.1
225.00757	12.5
225.11258	56.0
227.13025	14.0
229.17082	10.4
235.08167	11.2
253.09230	30.1
265.19110	14.1
461.20453	15.4
607.27850	10.0
625.28571	19.1
643.29504	25.2
651.29462	20.4
669.31641	16.8
670.30792	13.3
687.32825	11.9
808.79846	10.7
821.39740	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	821.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27166	1.5
59.01372	5.8
61.98838	100.0
63.99263	2.2
71.01370	5.1
79.95710	1.8
80.96516	6.0
83.05031	3.1
87.00886	4.0
94.98020	1.8
101.06064	2.3
115.22849	1.7
123.92097	1.8
143.99138	3.3
145.01421	2.2
145.05092	11.0
146.04611	2.1
161.22978	1.8
171.10237	3.0
191.05643	2.3
207.10286	2.6
209.11838	9.6
210.12265	2.5
225.11414	2.2
439.91989	1.8
449.87927	1.9
654.95691	1.9
761.65314	2.0
821.40332	7.5
833.26343	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	823.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.4
61.98825	15.3
69.24484	38.6
71.01384	36.0
72.86651	3.6
73.02989	5.4
78.31207	3.6
82.95428	10.5
95.05036	3.7
96.95999	12.7
98.20634	6.9
109.06606	5.7
113.06091	4.3
125.09708	4.4
128.03575	6.8
137.09763	5.6
145.16985	4.2
161.50774	4.3
163.11237	9.7
171.10214	8.2
171.57088	4.1
191.05681	7.2
199.09740	12.6
201.11285	4.4
207.10274	19.9
209.09908	7.5
209.11847	100.0
209.13809	6.3
210.12125	7.2
224.39293	4.1
225.11440	17.7
227.12885	29.5
235.08154	6.9
253.09306	16.0
277.21637	10.1
289.17960	12.3
293.41656	3.6
307.19080	8.8
365.32672	3.5
402.73230	3.9
502.29263	7.1
623.84674	3.9
627.29968	6.0
653.30048	5.1
671.33319	7.6
785.80743	4.5
823.38959	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	823.398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.8
59.01386	100.0
60.01722	2.1
65.82022	0.7
69.03491	0.9
69.49157	2.4
69.49570	2.8
71.01392	21.2
72.99301	0.7
73.02959	10.2
80.49092	0.7
83.01397	3.8
85.02964	6.9
87.04549	1.5
89.02452	13.7
91.73289	0.7
93.03484	1.3
95.01389	1.5
96.96023	2.4
97.77248	0.9
99.00907	0.9
99.04544	0.7
101.02448	16.4
113.02457	13.6
118.20844	0.7
119.03501	5.3
119.05167	0.7
131.03476	1.3
135.04576	1.4
143.03551	1.4
148.36613	0.7
149.04701	0.8
161.02538	1.1
161.04562	4.1
163.11357	1.3
187.13409	7.7
191.05652	5.7
203.16879	0.7
207.10295	2.3
311.16660	0.7
331.17642	29.8
332.18185	2.7
349.18604	11.6
349.22354	0.8
387.11597	1.4
387.16632	32.1
388.16696	3.5
391.19748	41.0
392.20206	4.8
525.36066	0.8
540.18799	0.8
665.31476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.3
61.48310	11.1
61.98828	35.1
64.25511	8.5
71.01369	26.3
71.53652	9.7
78.95858	9.9
79.02007	8.8
81.38880	8.0
87.00237	8.2
87.00832	10.5
94.92547	10.7
96.96014	38.7
116.17048	9.6
126.39984	10.4
132.20058	9.7
159.09758	10.1
171.10301	20.8
191.05673	10.9
196.98958	9.3
197.11737	13.0
199.09779	15.7
201.11293	27.8
207.10251	15.4
208.41608	10.5
209.11845	100.0
225.11278	25.2
227.12910	12.7
253.09335	26.5
289.17990	18.0
307.19217	24.9
309.20724	36.3
362.57639	10.7
445.20547	11.9
788.24823	11.1
823.42206	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.3
61.98841	18.0
66.21738	0.9
69.03457	3.7
71.01385	20.7
72.99307	2.4
73.02946	3.7
78.98611	1.2
79.95744	3.8
79.98946	0.9
80.96524	14.9
81.03445	1.5
82.95416	2.4
82.96083	1.3
83.01382	3.3
83.05013	1.9
85.02953	10.5
87.00867	4.6
89.01929	1.8
89.02446	15.7
94.98106	2.4
95.01417	1.2
95.05031	1.9
96.96015	7.2
97.02956	3.9
97.06600	12.7
98.20089	4.8
98.20774	1.7
99.00893	1.9
100.88153	1.0
101.02456	13.9
101.03097	1.2
113.02464	6.0
114.18983	1.1
119.03509	3.5
123.08214	7.5
125.02449	3.3
125.09739	64.5
126.10056	3.0
127.11314	1.7
137.09674	2.0
143.03497	1.7
148.99144	1.9
150.99930	1.1
155.10728	1.5
161.04553	3.1
164.98634	2.9
169.08731	1.0
171.10292	23.4
179.05713	1.3
187.09769	36.2
188.10043	1.1
201.11284	2.0
209.11807	2.3
211.13435	9.8
219.10072	1.4
221.06747	1.6
221.11775	2.2
225.00784	4.1
229.14471	6.0
235.08272	5.8
247.09602	2.5
253.09300	21.5
254.09563	1.3
255.20654	2.3
255.23312	37.6
256.23651	3.0
265.10498	2.1
277.21747	52.6
278.22073	4.9
291.19635	5.8
293.21237	2.8
295.22803	1.7
303.28220	1.0
309.20734	17.9
310.20972	2.3
311.22321	3.1
314.35876	0.9
327.21786	71.1
328.22049	6.3
364.20227	1.1
397.13452	2.3
400.28790	1.1
501.19073	1.2
545.29694	1.9
563.30841	4.8
567.22437	1.5
585.24536	2.2
587.43323	1.8
733.38287	12.0
734.38690	3.2
805.39734	2.2
806.46045	2.1
823.47040	100.0
824.47461	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.2
60.82761	0.6
61.98837	4.4
67.71087	0.6
69.03465	1.7
69.49625	4.2
71.01381	9.7
72.99306	1.3
73.02955	2.7
78.95905	1.1
78.98581	2.2
79.95742	4.1
80.96529	18.2
82.83168	0.6
82.95415	1.9
83.01437	0.8
83.05045	0.7
85.02959	9.1
85.06603	0.7
87.00889	2.8
89.02443	3.9
94.97587	0.6
94.98100	4.1
95.01428	1.2
95.04996	0.7
96.96027	5.3
97.02972	1.4
97.06586	2.7
97.34608	0.6
98.20695	1.1
99.00873	1.5
101.02455	7.3
106.98119	0.8
113.02456	2.4
119.03523	1.8
122.97556	0.9
125.02470	1.4
125.09736	1.3
133.05049	1.2
134.97581	1.5
135.44775	0.6
137.09746	1.1
145.05095	1.5
147.40433	0.6
148.99174	1.5
152.98630	2.0
153.63181	0.6
155.10884	0.7
157.05127	0.6
161.04550	3.5
164.98615	2.5
171.10298	11.1
177.12968	0.9
179.05695	1.0
183.13937	11.4
195.14001	0.8
199.10951	0.9
199.29453	0.7
209.11702	1.1
211.13374	6.7
211.81470	0.6
219.10051	0.6
221.11931	1.1
223.17056	1.0
225.00766	4.6
229.14528	3.2
233.15485	1.1
235.08246	16.8
247.09499	1.7
251.16562	3.0
253.09325	27.3
254.09750	0.9
265.10516	2.2
269.17654	0.8
277.21744	100.0
278.22095	11.0
291.19696	4.2
295.22830	1.4
309.20776	12.7
310.21033	1.4
320.91565	0.7
327.21786	75.1
328.22089	7.9
338.88654	0.7
347.27240	0.7
453.14041	0.9
513.30499	0.8
545.29523	2.1
563.31055	1.6
587.43604	1.9
733.38373	18.1
734.38855	4.7
805.40497	1.7
823.41187	3.7
824.47211	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	825.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.1
61.98847	1.6
66.78055	0.2
69.59535	1.2
71.01388	2.4
72.99280	0.3
73.02959	0.3
79.95747	11.7
80.96518	2.0
82.96041	0.3
85.02979	0.6
87.00908	0.5
89.02451	2.1
93.03453	0.6
94.98098	1.0
95.15570	0.3
95.94610	0.6
95.95246	17.2
96.96021	100.0
97.95956	0.4
99.04570	0.3
101.02453	1.1
105.70278	0.3
109.02975	0.4
110.97585	0.7
113.02454	1.0
119.03525	0.4
121.03051	0.3
122.97610	2.6
125.02493	0.4
134.03720	0.6
135.04559	0.4
136.01675	5.6
137.02446	1.0
149.02524	0.3
150.03214	1.3
151.00395	2.0
151.04028	5.0
152.04184	0.4
161.04634	0.3
162.03256	1.7
163.03960	0.7
165.05605	1.6
166.02730	5.5
167.03444	0.6
173.04628	0.4
177.01866	0.4
177.05571	0.9
179.03505	0.5
181.05067	5.2
191.05580	1.8
195.06647	0.8
258.02005	1.7
259.02826	0.5
263.73013	0.3
275.02335	4.4
294.05334	0.4
309.07727	0.6
324.10123	0.4
356.12756	0.3
357.09683	1.0
372.11987	0.8
387.14609	1.2
663.17389	0.9
664.18140	0.3
825.22870	29.3
826.23254	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	825.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	4.5
58.56446	1.2
59.01115	1.7
59.01389	21.2
69.03452	2.2
71.01391	41.1
71.54826	1.8
72.02189	1.5
72.99318	1.8
73.02953	10.6
75.00867	3.5
83.01412	28.3
84.02192	3.4
85.02929	6.5
87.00890	6.9
92.75491	1.2
93.03463	1.5
96.53517	1.3
96.96033	1.3
97.02731	1.6
97.06647	1.6
99.00864	15.7
100.38701	1.3
101.02458	19.8
105.32394	1.3
111.00706	3.5
112.01677	24.5
113.02477	7.6
123.00638	6.7
125.02252	2.1
127.00347	4.1
140.00914	5.7
141.01718	16.1
141.98822	4.7
143.03551	1.5
151.00160	17.7
153.01715	5.8
153.12852	3.2
163.04103	1.2
166.99657	18.5
167.03389	1.6
182.00154	1.3
183.02768	75.6
184.03070	3.3
191.05652	3.4
193.12096	22.3
194.12314	1.2
194.74297	1.2
195.13896	4.7
201.03827	2.3
207.10086	6.0
210.06938	2.1
211.07629	9.3
227.01730	9.8
227.03702	1.7
229.01277	1.5
235.13147	8.3
237.11124	10.1
247.13110	2.3
259.13165	4.4
277.14218	13.0
283.74792	1.2
297.17059	6.3
337.16339	56.6
338.16681	5.0
355.17386	29.5
356.17551	2.0
367.08026	1.3
379.17447	27.3
380.17593	4.4
381.15320	40.2
382.15503	3.5
397.18439	100.0
398.18793	11.0
399.16403	29.6
400.16650	4.3
423.16449	6.5
441.16971	1.9
613.15692	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	825.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	14.6
62.64062	12.3
69.19987	100.0
69.20399	23.7
69.31652	12.4
71.26839	13.9
78.95920	31.2
80.96517	15.1
98.19855	24.7
114.72724	13.1
164.03485	12.8
194.08534	13.6
246.37971	14.5
248.07205	14.1
277.21793	14.3
595.33691	15.8
763.17639	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	827.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
60.99295	1.0
65.36781	0.4
67.01888	2.3
69.03455	0.7
69.32506	4.4
71.01378	1.8
73.46381	0.5
74.71175	0.4
81.03459	0.8
82.77364	0.5
83.05013	0.8
85.02956	6.7
87.00882	3.7
93.02870	0.9
93.03466	18.3
94.03802	0.7
95.01416	0.6
96.96015	1.0
99.00913	0.4
99.04513	3.0
101.02450	1.1
105.03445	2.3
107.05038	0.8
109.02968	4.4
110.00063	0.7
111.00878	1.0
111.04576	3.1
117.03425	0.7
121.02966	0.6
122.03716	0.5
123.04535	1.0
124.01630	0.5
125.02460	2.4
127.04026	1.4
133.02972	18.0
134.03453	0.5
135.04533	24.8
136.04822	0.6
137.02466	0.7
139.00391	3.2
140.01160	4.5
150.03169	0.6
151.04028	1.3
153.01921	1.7
154.02766	2.8
155.03523	8.9
161.02426	5.4
161.04543	0.8
168.04324	0.7
169.05060	0.8
173.04536	10.0
177.01949	6.0
178.02682	0.6
179.03516	10.3
191.05624	100.0
192.05939	3.5
215.03540	0.6
215.05612	8.9
245.97234	0.5
289.89771	0.5
305.08838	1.9
307.08215	1.1
308.09116	0.8
317.08762	3.0
351.07217	23.8
352.07666	2.0
353.08789	23.2
353.12393	0.5
354.09198	2.2
359.09738	2.5
367.10321	2.2
369.91202	0.5
395.10117	2.4
399.12927	0.6
455.11395	0.6
461.13153	1.7
683.18188	3.7
725.19604	3.6
726.19952	0.7
765.21863	0.8
805.33221	0.6
827.22614	9.6
828.23273	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	827.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.5
60.99302	0.9
67.01887	2.3
69.03449	0.9
69.37409	0.6
69.37814	2.4
71.01389	2.0
73.02977	0.7
77.03999	0.5
78.85362	0.4
81.03459	0.9
85.02953	5.6
87.00883	4.1
88.98827	0.5
91.05531	0.4
93.03467	18.8
94.03824	0.6
95.01402	0.4
95.05011	0.6
96.58067	0.4
96.96016	4.4
99.00895	0.4
99.04532	2.5
101.02441	1.3
105.03467	2.0
107.05042	0.7
108.02225	0.8
109.02969	3.5
110.00121	0.9
111.04527	2.4
117.03510	0.6
121.02973	1.4
123.04524	0.6
124.01654	1.1
124.88638	0.4
125.01651	0.4
125.02421	2.1
127.04044	2.3
133.01938	0.6
133.02968	18.0
134.03703	1.6
135.04538	24.6
136.04861	0.8
137.02455	1.2
137.99619	0.5
139.00359	1.4
140.01157	1.8
144.71487	0.5
149.02461	0.5
150.03249	1.0
151.04008	1.7
153.01953	4.1
154.02740	1.8
154.79945	0.4
155.03528	4.7
161.02435	4.5
161.04565	1.7
162.02945	0.4
163.04083	0.4
166.02733	0.4
167.03532	0.4
168.04288	2.3
169.05103	0.8
171.03105	0.5
173.04555	8.6
174.05014	0.4
177.01933	6.3
179.03517	10.8
180.04022	0.7
181.04973	0.4
184.22108	0.4
191.05624	100.0
192.05942	4.1
215.05617	9.2
305.08823	1.5
307.08313	1.3
308.09045	1.7
317.08939	1.0
329.06613	0.5
351.07239	22.6
352.07843	2.8
353.08786	26.3
354.08994	2.2
359.09851	0.9
367.10461	2.0
378.27548	0.4
395.09909	2.6
397.09219	0.5
417.15750	1.1
455.11911	0.7
463.64090	0.4
475.14331	0.7
515.13934	0.5
635.16473	0.6
683.18628	3.7
684.18011	0.6
725.19452	2.5
726.19299	0.5
745.09808	0.4
765.22577	0.6
827.22430	5.5
828.23102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.5
67.01900	5.5
69.03460	2.2
70.58701	2.5
71.01388	33.5
88.98841	1.4
89.03954	1.6
91.04025	4.7
93.03463	3.4
96.96011	4.8
96.99311	5.0
97.02950	2.1
99.00874	1.4
110.94629	1.0
113.02464	1.4
115.00387	45.1
117.03475	27.1
119.05045	61.2
120.05374	2.9
121.02978	4.1
129.01982	3.2
130.93449	1.1
131.05025	1.3
132.02144	5.8
133.02995	7.6
134.03760	58.7
135.04497	2.5
137.02461	3.6
137.83498	1.0
143.05054	1.4
145.02971	70.1
146.03314	3.1
147.04527	2.3
148.05371	1.3
149.06085	7.9
149.67120	1.2
159.04489	2.3
160.01691	24.5
160.05220	1.1
161.02391	5.0
161.06125	1.4
162.03122	1.3
163.04025	42.3
164.04387	2.5
171.03047	10.0
173.06067	2.9
175.02551	2.4
175.04019	33.1
176.04327	1.7
177.01924	1.4
177.05563	6.9
178.02666	2.7
187.97670	1.1
188.04872	2.2
189.04048	8.5
190.04169	1.1
191.05638	3.4
193.05070	34.0
194.05373	1.6
196.14323	1.2
209.11916	1.5
210.06857	1.4
211.07750	5.1
213.05573	1.4
219.06613	6.0
225.05476	2.7
226.06371	55.9
227.06740	3.8
234.05415	3.4
235.06110	2.6
237.07692	7.7
238.08203	1.5
240.07857	1.4
241.05043	4.2
241.08713	16.2
242.09212	1.7
249.07774	2.7
252.06203	2.1
253.06879	1.3
256.07462	2.0
267.08627	6.6
271.09842	1.2
280.07254	1.4
285.03918	2.1
335.07742	21.4
336.07880	1.7
349.09048	1.2
365.08829	16.3
366.09241	1.8
383.11282	3.7
391.10480	3.3
409.11459	15.5
413.12448	100.0
414.12704	12.7
421.11426	1.5
431.13855	1.3
439.12354	8.5
440.12857	1.2
443.13522	2.2
453.23508	1.1
516.58575	1.1
531.55658	1.3
533.17883	1.8
555.15155	4.7
563.19299	2.9
585.16144	37.8
586.16589	5.9
615.16949	3.2
677.86346	1.3
720.09161	1.2
827.25110	6.2
828.24854	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	827.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
60.99324	0.7
65.51288	0.5
67.01895	6.3
69.03468	1.4
71.01389	4.3
71.05012	0.7
73.02950	0.5
83.01407	0.4
83.05039	1.4
85.02943	0.7
87.00893	0.7
88.98852	0.7
93.03468	38.4
94.03811	1.4
96.96022	1.3
99.08174	1.9
101.02462	0.5
109.02961	1.7
111.00887	1.3
111.04543	6.3
113.02487	0.7
117.03496	1.1
119.05090	0.6
125.09708	0.5
132.02177	1.1
133.02986	7.8
135.03520	0.7
135.04533	9.9
137.02458	9.3
146.22235	0.5
155.03522	6.9
160.01662	2.0
161.02469	33.4
162.02824	1.9
167.14369	0.8
171.10286	1.0
173.04565	100.0
174.04909	3.6
179.03532	6.8
183.13878	2.2
191.05626	2.3
193.12346	1.1
209.11844	2.2
211.13408	10.7
212.13834	0.6
229.14461	6.2
230.14668	0.6
285.03998	0.6
323.07721	18.4
324.08112	1.5
329.23328	23.9
330.23801	2.3
335.07797	7.3
341.08591	4.9
357.72211	0.6
361.00186	0.5
394.05606	0.5
447.09457	0.5
485.27805	0.7
497.13144	5.0
503.28656	59.5
504.29001	10.9
665.32098	0.8
827.21185	1.2
827.37079	19.8
828.37213	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	827.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
59.93788	0.4
60.99303	0.9
65.03976	0.9
67.01892	4.0
69.03455	1.4
69.75523	2.7
71.01395	4.3
72.55312	0.5
81.03460	1.6
83.05038	1.7
85.02967	1.2
87.00895	1.8
93.03468	59.2
94.03810	2.2
96.96020	1.7
98.20010	0.8
99.08179	1.7
109.02979	1.6
111.00892	1.3
111.02023	0.5
111.04544	6.8
122.58817	0.5
123.06748	0.5
125.09769	0.7
127.04026	1.0
127.11306	0.9
132.93208	0.5
133.02991	5.1
134.03726	2.0
135.04547	32.0
136.04865	1.7
137.02469	30.4
138.02806	1.0
155.03534	11.3
156.03931	0.6
161.02473	23.4
162.02829	1.1
163.04117	0.5
167.03548	0.6
171.10280	1.6
173.04568	100.0
174.04919	3.7
179.03525	24.7
180.03831	1.3
183.13924	1.9
191.05658	6.7
193.05101	0.5
193.12326	0.9
209.11957	1.1
211.13412	13.9
212.13840	1.0
229.14467	7.6
291.08710	0.5
293.21371	0.7
329.23376	28.2
330.23795	2.5
335.07751	44.6
336.08066	3.5
337.09213	1.0
341.08762	0.9
476.12549	0.5
497.13101	11.1
498.13553	1.5
503.28653	93.9
504.29019	13.9
665.31927	6.6
666.32544	0.8
827.21204	0.8
827.36981	14.0
828.37427	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	827.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.0
60.99287	0.7
63.64021	0.5
63.89267	0.4
67.01897	4.7
69.03462	1.4
71.01395	4.6
71.01817	0.8
81.03478	1.5
83.05050	1.4
85.02962	1.1
87.00895	0.8
88.98821	0.6
93.03472	38.8
94.03817	1.4
96.96057	1.3
99.08189	0.8
109.02947	1.7
111.00912	1.6
111.04529	6.8
113.02483	0.7
117.03465	0.9
119.05016	0.6
132.02168	1.4
133.02971	8.0
135.04556	8.5
137.02451	8.2
152.01114	0.6
155.03522	7.6
160.01697	1.7
161.02461	31.8
162.02792	1.4
163.04082	0.5
167.14478	0.6
171.10269	1.2
173.04564	100.0
174.04883	3.5
174.18225	0.5
179.03520	7.2
183.13924	1.3
191.05595	2.9
209.11896	1.8
211.13411	10.0
212.13757	0.6
212.46341	0.5
229.14456	6.5
285.04080	0.7
323.07739	17.2
324.08087	1.2
327.03757	0.5
329.23337	23.9
330.23636	2.7
335.07718	8.1
336.08023	0.7
341.08813	5.2
497.13058	4.2
498.13205	0.9
503.28677	62.6
504.29041	9.4
557.06555	0.5
665.32794	0.9
827.21362	0.9
827.37170	17.4
828.37585	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	829.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.3
59.01382	19.8
60.99305	0.6
61.98827	0.7
68.01656	0.3
68.99851	0.7
69.03467	1.2
71.01388	17.9
72.99320	1.7
73.02939	2.4
73.51851	0.3
81.03467	1.0
83.01418	2.1
85.02956	4.2
87.00886	5.3
88.98818	3.3
89.02448	14.6
90.75815	0.3
93.03444	0.5
95.01400	1.8
96.96017	0.8
96.99309	0.5
97.02955	2.6
99.00908	1.0
101.02452	12.6
101.03115	0.8
102.02770	0.4
109.02998	0.4
111.04539	0.7
113.01726	0.6
113.02464	7.8
119.03512	4.0
122.07512	0.4
123.43559	0.4
125.02459	8.7
125.09711	1.0
127.04028	0.7
127.11300	1.5
131.03558	0.5
133.05014	0.5
139.04019	0.5
141.01926	0.4
142.58250	0.5
143.03506	3.1
153.09209	0.6
161.04559	3.5
171.10278	100.0
172.10617	4.5
179.05635	3.2
190.28142	0.4
209.11800	0.5
217.07187	1.0
219.05017	0.6
221.06757	1.0
229.42647	0.5
233.22832	0.5
235.08224	7.0
253.09268	1.3
259.08206	0.8
277.21732	62.5
278.22095	6.1
287.07892	2.1
291.23279	0.6
305.08725	1.9
311.39426	0.4
323.09802	1.1
379.12463	10.9
380.12909	0.7
397.13522	38.6
398.13800	3.1
415.14581	8.8
416.14737	0.9
461.87650	0.4
551.23077	0.7
569.24286	1.2
657.14551	0.4
675.36340	0.5
747.25275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.7
59.01383	15.6
60.99303	0.3
61.98845	0.3
69.03464	1.1
71.01387	15.8
71.13823	0.6
72.99312	1.4
73.02959	2.9
75.00890	0.3
81.03468	0.9
83.01395	2.2
85.02953	4.1
87.00877	4.9
88.98810	1.2
89.02451	13.6
91.04017	0.5
93.03476	0.3
95.01395	1.3
97.02947	2.0
97.06623	0.3
99.00895	1.0
99.04539	0.3
101.02448	12.2
111.00912	0.3
111.04542	0.9
113.02461	7.4
114.02788	0.4
115.03949	0.3
119.03500	3.7
121.03008	0.3
124.01695	0.3
125.02466	7.0
125.09721	1.3
127.04007	0.3
127.11308	2.2
131.03534	0.7
133.05121	0.5
137.02461	0.3
139.04059	0.6
141.01949	0.3
143.03499	2.4
149.04533	0.5
151.03989	0.3
153.09195	0.6
161.04567	3.2
167.03517	0.6
171.10278	100.0
172.10617	5.3
179.05606	3.4
185.04547	0.4
185.11845	0.4
199.06151	1.0
203.05745	0.3
209.11879	0.3
213.11314	0.5
217.07149	1.1
221.06714	1.0
235.08234	5.8
236.08611	0.4
245.06673	0.6
253.09373	0.9
259.08359	0.5
263.07852	0.4
277.21735	52.4
278.22104	4.7
287.07730	1.7
301.09042	0.3
305.08807	2.1
319.22977	0.3
323.09900	1.0
361.11298	0.3
379.12503	9.1
380.12888	0.6
397.13513	31.6
398.13895	2.7
415.14578	8.1
416.15073	0.5
551.23688	1.0
569.24432	1.0
675.36517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.9
60.99311	0.8
63.02406	0.5
65.00325	1.6
66.61796	0.5
67.01899	3.3
67.46789	0.5
69.03458	0.8
71.01385	2.4
81.03480	1.0
83.01410	0.5
83.05039	1.0
85.02955	5.3
87.00887	4.9
93.03471	22.8
96.96029	3.7
101.02443	0.6
107.01394	2.1
108.02155	1.2
109.02954	1.6
111.04522	3.9
111.48122	0.5
113.02471	0.5
127.04038	1.4
133.02974	11.5
135.04530	0.9
137.02477	1.8
149.02463	1.9
151.00385	4.6
152.01149	1.6
155.03532	1.2
171.04402	0.7
173.04567	22.7
174.04915	0.8
175.03961	3.0
186.06921	0.7
191.05627	56.4
192.05942	2.8
199.03999	2.2
201.01869	1.1
211.03954	0.8
213.05629	1.0
214.06213	0.5
215.07094	0.6
217.05098	1.6
221.79395	0.5
229.08598	0.6
233.06671	2.3
239.07243	0.7
241.05029	1.0
255.06367	0.6
255.13907	1.1
257.04416	0.6
267.10321	0.9
279.10101	0.7
283.13290	1.6
285.04077	100.0
286.04376	7.7
287.04449	0.5
309.14963	1.6
311.12988	2.1
327.15961	1.4
353.09561	0.9
353.14008	9.1
354.14590	0.6
371.15002	3.4
371.24359	1.1
470.19421	0.5
527.19366	1.0
545.20490	20.8
545.29480	2.0
546.21173	3.4
658.23541	0.6
793.58081	0.7
831.37256	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	831.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.8
60.99310	5.4
61.98828	1.7
67.01897	13.3
69.03458	4.3
70.50196	1.2
70.99725	1.8
71.00034	1.3
71.01397	9.1
73.02963	2.8
81.03473	2.2
83.01396	1.5
83.05052	2.1
85.02935	7.1
87.00882	17.6
88.98817	2.2
93.03471	100.0
94.03815	3.5
96.96020	10.0
99.00905	2.8
101.02440	3.9
108.02236	2.0
109.02969	3.6
111.04536	12.1
113.02457	4.2
115.03957	1.5
121.02914	1.4
122.03812	1.5
127.04005	2.3
129.01944	1.3
133.02939	6.3
134.03755	11.6
135.04616	6.7
137.02475	6.7
149.02409	3.0
150.03261	6.9
152.01257	1.6
153.01927	1.7
155.03494	2.9
161.02487	2.8
165.01930	1.6
165.05589	6.9
167.03510	2.3
173.04556	50.4
174.04890	3.0
175.02516	1.5
177.01915	2.1
178.02730	2.6
179.03595	3.9
179.05519	1.2
179.18010	1.2
189.05611	2.2
191.05618	31.3
192.05952	1.7
195.06561	4.6
215.71999	1.4
261.82596	1.3
263.15036	3.4
269.13168	1.2
271.54059	1.5
305.16052	1.5
339.12210	1.4
341.11453	1.4
379.33008	1.3
449.14432	12.3
481.17172	76.0
482.17905	7.9
535.19537	1.9
553.99475	1.4
583.21405	1.8
607.24384	1.6
799.30426	8.4
800.30762	1.8
831.34180	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	831.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.4
61.98550	0.8
61.98840	10.7
63.96215	1.9
69.46191	0.7
69.94088	3.4
71.01388	10.8
72.99308	0.9
73.02943	1.7
75.81070	0.7
78.95924	4.4
78.98596	7.5
79.95744	25.1
80.96526	86.8
82.96117	1.1
85.02950	3.1
87.00912	3.8
94.98097	17.6
96.96019	2.0
96.96960	1.0
97.02973	2.4
98.20058	1.1
98.20553	1.1
101.02452	2.3
106.98088	3.1
113.02508	1.0
122.97581	7.5
125.02456	3.5
127.04018	1.0
134.97610	5.5
136.99152	2.1
148.99130	5.5
152.98593	6.3
152.99510	0.8
161.04541	0.9
164.98627	12.2
164.99913	1.5
167.00270	0.8
206.99725	3.1
225.00763	19.3
226.00958	1.0
241.01100	1.6
255.23305	3.4
275.62436	0.7
275.65729	0.8
277.21823	1.7
355.06995	1.2
411.12964	0.9
478.70840	0.8
509.75455	0.9
537.26978	1.1
546.38251	0.8
570.11359	0.9
646.69336	0.8
831.49432	100.0
832.49738	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	833.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
60.99310	1.7
67.01896	5.8
69.03471	1.3
69.42203	4.1
71.01382	3.5
79.06470	0.5
81.03466	0.9
83.05047	1.2
85.02965	1.8
85.30775	0.5
87.00887	7.1
93.03467	36.3
94.03831	0.9
96.96043	0.8
97.02969	0.8
99.00901	0.8
108.02198	3.2
109.03013	1.0
109.40613	0.6
111.04522	4.1
113.02456	1.0
119.05042	3.6
121.02971	2.1
122.03748	1.3
124.01670	7.7
125.02468	3.6
126.03263	1.4
127.03994	1.4
129.01936	1.4
132.02246	0.6
133.02953	3.6
134.03760	14.6
135.04541	100.0
136.04797	3.8
137.02472	2.6
145.02991	2.9
150.03258	3.8
151.04025	15.7
160.01675	1.3
161.02483	3.1
162.03122	1.2
163.04018	5.8
173.04565	10.3
177.01962	1.4
178.02815	1.3
179.03514	25.5
180.04213	3.2
191.05630	22.1
192.05991	1.2
209.11964	1.1
225.11391	0.6
241.09875	1.4
256.12320	0.9
257.08237	4.8
258.08658	0.6
275.09262	2.9
290.08029	1.6
306.07739	0.9
307.08258	11.7
308.09036	25.1
309.09311	1.4
315.13528	1.4
323.07809	2.0
351.07184	2.4
352.08002	64.6
353.08356	6.4
383.11310	11.8
384.12021	0.8
431.13791	0.8
449.14563	60.1
450.14877	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	833.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.5
59.01117	0.6
59.01388	7.2
61.98850	0.9
65.05705	0.5
67.01888	1.4
69.03477	0.6
69.68396	0.9
69.68793	1.2
71.01388	6.9
73.02966	0.9
78.95915	0.5
79.95747	0.7
80.02668	0.6
81.03465	1.0
81.90331	0.5
83.01403	0.6
83.05045	2.0
85.02964	2.5
87.00883	2.5
89.02449	4.2
89.42702	0.4
93.03469	7.3
95.05000	0.6
96.96016	6.9
97.02962	1.4
99.00886	1.1
101.02474	3.7
108.02196	0.6
109.02916	0.8
109.06618	3.3
111.00900	1.1
111.04560	1.3
113.02475	2.3
119.03521	1.4
119.05054	1.2
121.02977	0.7
123.04598	0.6
124.01682	1.6
125.02456	1.6
125.06272	0.4
131.01404	0.4
133.02919	0.8
134.03755	3.2
134.06143	1.5
135.03502	0.9
135.04538	14.3
135.08176	0.6
137.02455	0.7
145.02998	0.7
150.03256	0.7
151.04001	1.8
152.01195	0.4
158.02444	1.0
161.02477	0.7
163.04056	1.4
163.11285	3.0
171.10312	1.4
173.04538	3.1
173.06944	0.5
176.03552	0.4
179.03473	3.2
179.05447	0.4
180.03979	0.5
181.12367	0.9
190.05132	2.8
191.05635	6.3
198.09267	3.3
202.08636	0.5
207.10281	10.6
208.10652	0.8
209.11830	13.4
210.12123	0.7
212.05914	0.5
223.08704	0.8
225.11322	6.8
226.07452	1.5
227.12859	2.5
228.09013	2.5
229.01440	1.7
239.11900	12.2
240.12213	0.8
241.09840	73.7
242.10190	5.8
243.11337	2.1
255.11414	1.7
256.12189	42.7
257.08292	0.7
257.12476	3.3
300.11188	8.6
301.11356	0.9
307.08203	1.3
308.09003	2.7
315.13525	100.0
316.13821	9.8
337.11917	3.4
352.07953	7.8
353.08331	0.9
383.11301	0.7
397.13525	4.3
415.14539	1.6
417.22723	1.0
449.14578	7.7
450.15070	0.6
517.18274	16.3
518.18854	2.8
605.24457	1.0
623.25659	1.4
687.17200	1.3
688.17480	0.6
725.28125	0.9
757.30914	1.2
797.20551	0.6
797.35706	1.7
815.37164	2.7
816.37500	0.7
833.38416	4.8
834.38599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	29.2
69.03450	2.3
69.32432	9.3
71.01394	24.6
72.99330	1.8
73.02945	3.0
74.81457	1.0
80.02691	2.8
81.03468	4.9
83.01396	2.1
83.05035	10.1
84.02175	1.8
85.02960	7.8
87.00895	5.5
89.02451	16.6
93.03458	3.6
95.01398	1.3
95.05045	1.6
96.96042	6.4
97.02965	10.2
97.06615	1.1
98.19920	1.7
99.00890	3.4
101.02458	17.8
107.05061	1.1
109.06609	28.9
110.03751	1.6
111.04526	1.8
113.02477	9.1
119.03488	4.2
121.06593	2.1
123.08213	1.3
125.02497	5.6
125.09735	2.3
127.03972	1.0
131.03554	1.1
135.04489	1.2
135.08150	5.3
136.05260	1.8
141.01933	2.3
142.02760	1.2
143.03551	2.5
145.03044	1.4
161.04581	3.0
161.09764	1.1
163.11317	20.0
164.11531	1.8
165.12840	3.8
171.10300	4.2
173.04678	1.5
175.11287	1.0
179.05663	5.4
181.12344	4.2
185.11862	1.3
189.09207	1.1
191.05608	4.1
191.10654	1.6
207.10280	78.2
208.10576	5.4
209.11842	100.0
210.12144	5.6
217.12123	1.1
221.06697	3.0
221.11896	1.2
225.11334	41.6
226.11705	2.6
227.12906	11.6
235.08232	4.2
243.12447	1.4
249.11317	1.3
253.09348	1.4
305.08691	1.2
322.48401	1.1
379.12262	2.2
397.13538	25.7
398.13843	1.6
399.21652	2.3
415.14526	10.2
417.22769	5.4
435.23813	1.3
605.24579	4.9
623.25751	7.2
797.36084	14.5
798.36255	2.1
815.37292	17.5
816.37482	3.1
833.38226	35.5
834.38391	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	833.543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.5
61.98835	3.0
64.95332	0.3
70.26434	1.0
71.01388	1.8
71.96778	0.3
73.02940	0.3
80.96502	0.8
85.02969	0.5
87.00854	0.5
87.41533	0.4
88.48262	0.3
89.02457	0.7
101.02454	0.8
105.58147	0.4
113.02430	0.7
113.30677	0.3
136.53783	0.4
153.79620	0.3
156.33876	0.4
160.86029	0.3
161.04611	0.4
233.22554	0.3
235.08273	2.1
253.09326	4.1
256.00815	0.4
277.21735	100.0
278.22107	8.6
292.36697	0.3
316.57709	0.3
336.65137	0.4
513.31067	0.5
699.16730	0.5
756.58563	0.4
833.50842	0.9
834.50787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	0.9
64.09622	0.3
64.28979	0.2
69.03477	0.5
71.01391	6.8
71.55084	0.5
72.63060	0.3
73.02959	2.3
83.01419	0.9
83.99407	0.3
85.02967	3.6
87.00890	0.5
89.02451	2.9
89.39732	0.3
92.54564	0.3
93.03498	1.1
95.01429	1.0
96.96015	2.2
99.00925	0.9
101.02454	4.4
111.04550	0.3
113.02464	4.8
119.03532	0.9
135.04550	0.4
135.79663	0.2
143.03557	0.7
161.04567	2.6
167.03516	0.5
173.04601	0.7
179.03474	0.6
179.05688	0.7
191.05605	3.5
196.62555	0.3
284.03311	0.4
313.16617	2.3
317.60242	0.3
331.17581	4.9
332.17709	0.4
373.18680	11.3
374.19196	1.0
449.14212	0.3
511.36145	0.4
596.57178	0.4
625.30005	0.3
744.71301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45523	0.3
58.61388	0.4
59.01386	100.0
60.01719	0.7
69.03452	0.5
69.68703	0.3
71.01392	8.6
71.01787	0.6
71.09242	0.6
72.25781	0.4
73.02956	3.6
83.01413	1.1
85.02952	2.8
87.00882	0.7
88.99930	0.3
89.02454	5.3
93.03522	0.8
95.01425	0.9
96.96034	1.4
99.00890	0.5
101.02451	7.1
108.02202	0.4
113.02458	4.5
113.03149	0.4
119.03493	2.2
124.46770	0.4
131.03513	0.6
135.04475	0.4
137.02486	0.8
143.03532	0.9
149.04607	1.0
161.02460	0.4
161.04565	3.0
167.03632	0.6
173.04643	0.8
179.05661	0.7
191.05656	3.6
210.29051	0.4
221.06738	0.8
252.83432	0.4
299.05780	0.5
313.16742	1.1
320.08221	0.4
331.17575	3.1
373.18741	12.0
374.19208	1.2
389.25787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01710	1.2
69.24143	2.1
71.01389	6.9
73.02956	2.7
75.00925	0.3
83.01397	1.2
85.02964	2.7
87.00948	0.3
89.02451	2.9
93.03490	0.3
93.93369	0.2
95.01422	0.4
95.79063	0.3
96.96034	0.5
99.00920	0.5
100.44724	0.2
101.02454	4.2
109.02972	0.2
113.02477	2.5
119.03476	1.2
131.03558	0.3
133.57362	0.2
143.03534	0.4
147.04677	0.3
149.04625	0.4
159.02896	0.3
161.04570	2.1
179.05711	0.9
191.05635	1.5
202.51433	0.2
284.03360	0.3
313.12775	0.3
313.16708	1.0
331.17584	2.6
358.80771	0.3
373.18710	5.7
373.23178	0.4
374.19363	0.4
447.09348	0.4
832.03259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98832	0.2
68.99579	0.1
70.82380	0.3
71.01389	0.4
78.95908	0.9
79.95750	4.0
85.02954	0.2
87.00908	0.1
89.02478	0.2
89.90087	0.1
93.03458	0.3
96.96024	100.0
97.95967	0.4
101.02457	0.3
113.02422	0.1
119.05069	0.1
128.90187	0.2
145.03049	0.1
163.11298	0.1
168.71069	0.1
173.04570	0.3
191.05647	0.8
199.13356	0.1
207.10295	0.3
209.11905	1.2
210.12062	0.2
225.11401	0.2
226.11771	0.1
227.12961	0.2
235.08173	0.1
285.03650	0.1
309.04111	0.1
397.13272	0.2
560.22162	0.1
817.38135	0.2
835.38446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.3
59.01387	10.3
67.01865	0.2
69.03461	0.7
71.01390	8.4
71.05000	0.3
72.99303	0.7
73.02947	1.5
75.00873	0.2
80.02690	1.4
81.03458	1.6
83.01399	0.9
83.05038	5.7
84.02191	0.9
85.02962	2.2
87.00897	2.5
89.02458	7.7
93.03465	0.7
95.01381	0.6
95.05044	0.7
96.96020	2.5
97.02971	1.2
97.06563	0.4
99.00879	0.5
99.04542	0.3
101.02458	6.3
105.56380	0.2
106.20322	0.2
109.02982	0.2
109.06593	0.3
113.02464	3.6
114.29591	0.2
119.03498	1.7
121.43561	0.2
125.02473	2.8
125.06104	0.5
125.09755	0.4
126.02837	0.2
135.08145	0.9
139.03960	0.3
141.01970	0.2
143.03540	1.1
147.11845	0.3
149.04620	0.3
159.75323	0.2
161.04578	2.0
163.11307	3.9
165.12894	2.3
171.10287	1.0
173.04509	0.4
179.05626	2.3
181.12399	0.7
191.05629	0.6
191.10851	1.1
209.11847	100.0
210.12175	6.1
217.07224	0.4
221.06720	0.7
221.11812	0.3
223.13246	0.2
227.12909	13.2
228.13260	0.8
235.08266	2.5
247.13467	0.8
253.09332	0.5
287.07730	0.8
305.08850	0.8
323.09830	0.5
379.12537	1.9
397.13531	17.7
398.13721	1.4
415.14584	5.2
416.15045	0.4
449.14554	0.3
589.25323	0.4
607.26202	0.8
773.36206	0.3
790.90887	0.2
799.38110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.5
59.01384	8.9
65.37832	0.2
68.35194	0.2
69.03457	0.5
71.00165	0.4
71.01388	8.3
71.05011	0.3
71.55004	0.2
72.99299	0.6
73.02953	1.5
73.37294	0.2
77.85542	0.2
79.95734	0.2
80.02673	1.5
81.03457	1.9
83.01404	0.8
83.05035	5.9
84.02177	0.9
84.05383	0.2
85.02962	2.2
87.00883	2.3
89.02453	7.9
93.03471	0.6
95.01389	0.6
95.05027	0.7
96.96017	5.3
97.02970	1.1
97.06599	0.2
99.00892	0.3
101.02450	6.8
106.06925	0.2
109.06583	0.4
111.00883	0.3
111.04507	0.4
113.02460	3.6
119.03504	2.2
121.02950	0.3
125.02462	2.8
125.06104	0.5
125.09703	0.3
131.03435	0.3
134.03743	0.3
135.08176	0.6
141.02020	0.2
143.03523	1.1
145.05092	0.2
147.11763	0.3
149.04550	0.2
155.19412	0.2
161.02434	0.2
161.04593	1.6
163.04002	0.3
163.11296	4.6
164.11633	0.2
165.12846	2.8
167.03456	0.3
171.10246	0.6
171.90318	0.2
179.05623	2.4
179.28503	0.2
181.12350	0.8
191.05588	0.7
191.10831	1.3
207.10240	0.3
209.11836	100.0
210.12178	6.6
217.07158	0.2
221.06683	0.9
225.11272	0.2
227.12895	13.9
228.13220	0.8
235.08240	2.5
247.13425	0.7
251.12892	0.5
253.09325	0.7
263.07623	0.2
266.05637	0.2
287.07803	0.7
305.08801	0.9
305.79221	0.2
323.09787	0.5
379.12564	2.1
397.13531	18.3
398.13760	1.5
413.12628	0.5
415.14630	5.6
416.15067	0.6
419.24155	0.2
575.45178	0.2
589.25366	0.3
607.26160	1.0
644.85956	0.2
799.37866	0.5
817.39014	0.2
835.39960	0.5
843.90759	0.2
848.58929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09010	0.1
61.98837	100.0
70.84930	0.2
71.01414	0.1
72.66017	0.1
75.12863	0.1
80.96528	0.7
94.98124	0.2
120.55578	0.1
153.17020	0.1
156.44853	0.1
160.76131	0.1
164.98639	0.2
196.11942	0.1
205.10287	0.1
246.96715	0.1
277.21820	0.2
278.22321	0.2
343.31927	0.1
351.83994	0.1
607.90717	0.1
617.54333	0.1
785.84442	0.1
837.48322	0.9
842.38940	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	839.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	1.6
65.72068	0.5
65.80295	0.5
71.01393	11.2
71.54353	0.6
73.02950	3.9
81.03475	0.5
83.01418	1.7
85.02950	2.8
88.47215	0.5
89.02460	1.5
93.03510	1.2
95.01414	0.6
96.96035	3.5
99.00909	0.9
101.02445	7.1
113.02431	2.3
119.03567	0.7
125.02410	0.7
135.04617	0.5
137.09735	0.6
143.03506	1.5
148.92448	0.5
149.04630	0.6
161.04558	3.6
189.12813	5.3
191.05664	4.9
203.05615	9.3
207.13925	3.0
225.14966	3.3
231.07596	0.5
262.48428	0.5
263.32129	0.6
279.14633	1.7
294.69797	0.5
325.03815	0.6
341.10196	0.5
369.19168	1.2
371.12308	0.5
387.20493	1.4
415.18512	0.5
429.21298	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	839.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	29.8
61.98823	5.3
68.99607	4.2
69.30732	3.4
70.25668	3.2
71.01387	27.8
71.02495	4.1
73.02949	7.8
73.04080	14.2
74.08910	3.3
78.27907	3.4
79.95763	3.5
85.02961	12.3
85.04114	4.2
87.00915	5.2
89.02456	7.7
91.71809	3.6
93.03453	20.9
96.00903	17.6
96.96019	100.0
98.02496	13.1
98.95618	16.5
98.96407	3.8
99.02009	16.0
101.02451	11.9
109.04096	12.8
110.02493	25.5
110.03635	3.5
113.02466	14.0
113.03590	24.2
115.00386	25.4
115.05138	5.1
116.92885	10.2
118.06542	3.5
129.10349	9.5
130.06221	26.1
133.01440	43.0
134.03760	3.4
135.04567	8.7
135.05556	3.2
137.02446	12.3
147.04543	9.8
151.08781	5.8
152.01060	3.6
153.03065	6.5
160.89828	3.7
164.07156	17.1
168.11458	16.7
173.04568	14.4
175.08815	4.5
184.29323	4.2
186.12515	6.5
191.05643	40.9
192.06026	5.6
203.08307	9.3
209.11855	12.8
210.12450	20.5
221.09509	5.2
228.13525	6.7
241.13474	9.2
242.40871	3.7
251.87752	4.0
258.16016	5.3
282.22388	4.2
357.19336	12.5
375.12991	11.8
375.20306	11.8
449.14398	4.6
649.37885	5.9
691.39496	3.9
751.34680	23.7
752.34204	7.7
795.36682	63.0
796.37433	14.0
804.61798	4.0
839.39429	74.8
840.39716	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	839.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.6
61.98832	18.9
70.23472	4.3
71.01395	8.0
71.53818	5.0
78.32989	3.8
79.95765	8.0
80.96537	5.3
85.02992	6.8
93.03478	7.9
96.96018	100.0
101.79068	3.8
103.06403	3.9
115.64480	3.9
116.92861	4.0
119.05082	5.0
125.02451	4.5
154.75233	3.9
171.10316	10.0
173.04518	5.8
178.02878	4.4
191.05623	53.2
207.10283	4.1
209.11879	43.8
225.11351	4.1
227.12891	9.3
235.08086	5.8
253.09326	7.2
307.19092	8.9
323.12878	3.7
325.20123	16.2
330.15836	4.0
466.00598	4.5
525.53790	4.1
753.40143	4.2
839.40765	21.4
840.42773	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	841.488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	30.3
70.09043	90.6
80.96536	56.3
98.19875	23.5
102.96358	21.5
136.78314	24.2
179.86935	23.2
203.76848	24.1
277.21756	95.7
291.19571	31.2
309.20718	77.3
386.55154	25.0
841.50116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.1
60.25680	0.6
60.99316	0.9
65.03960	1.4
67.01900	4.2
69.03477	1.1
71.01384	4.9
71.05022	0.7
73.02962	1.0
75.48862	0.6
81.03466	1.9
83.05032	2.2
85.02961	1.9
85.06605	1.3
87.00894	2.1
93.03468	59.8
94.03802	1.5
96.96029	3.3
97.06586	0.6
98.19892	1.6
99.00890	0.6
101.02460	0.8
109.02969	1.6
111.00914	1.4
111.04526	7.7
115.07645	2.5
117.03498	0.7
119.05037	1.3
127.04032	1.3
133.02977	5.8
134.03741	1.5
135.04541	35.1
136.04913	1.4
137.02457	31.6
138.02776	1.2
145.02980	3.2
155.03516	10.1
161.02460	24.2
162.02834	0.8
163.04111	0.9
171.10304	1.9
173.04559	100.0
174.04947	4.1
179.03520	24.0
180.03885	1.4
183.13887	2.6
185.93588	0.6
191.05621	12.6
193.12369	0.8
209.11830	1.3
211.13419	13.8
229.14455	12.8
230.14778	0.8
241.05072	0.7
241.40910	0.7
257.08261	0.8
285.04147	1.1
335.07745	45.3
336.08148	3.9
341.08990	1.7
345.22824	32.6
346.23206	3.2
422.05182	0.9
432.86368	0.7
497.13092	11.0
498.13156	1.5
519.28131	93.7
520.28485	12.1
681.21637	1.5
681.31458	5.8
682.31927	1.0
843.21198	1.3
843.36664	20.2
844.36969	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	843.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	8.8
61.66639	1.3
67.01900	5.9
69.03465	1.4
70.25880	2.2
70.26257	3.9
71.01382	6.6
75.86579	1.1
79.95756	2.0
81.03461	1.5
83.05023	2.0
85.02966	4.2
87.00898	2.8
89.02438	1.7
93.03471	56.7
94.03765	1.7
96.96024	14.7
101.02423	3.3
106.47389	1.2
108.02155	1.7
109.02958	2.4
111.00903	1.9
111.04546	8.2
115.07667	2.0
133.02968	6.1
134.03760	2.1
135.04539	35.7
136.04895	1.3
137.02458	32.9
139.72417	1.3
145.02962	2.1
151.00252	1.2
152.01195	1.0
155.03510	9.9
161.02451	24.5
167.03387	1.4
171.10258	2.5
173.04562	100.0
174.04855	4.0
179.03522	29.2
183.13954	2.4
191.04335	1.1
191.05638	28.6
191.07289	1.0
193.12437	1.1
209.11765	2.3
211.13397	11.7
223.06073	1.4
229.14465	12.6
284.03378	1.8
285.04160	1.7
335.07709	42.2
336.07977	3.2
345.22852	33.5
346.23169	3.3
347.16998	2.2
497.13074	13.7
504.19769	1.4
519.28131	93.2
520.28491	11.3
681.31506	6.2
799.20612	1.7
843.22980	2.0
843.36841	19.9
844.37769	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	843.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
60.99313	0.8
61.98859	0.5
67.01895	6.5
69.03468	1.3
69.17566	5.1
69.24647	0.5
69.82340	0.6
71.01386	5.5
71.04981	0.7
73.02975	0.8
75.90826	0.5
79.95747	1.7
81.03459	0.5
83.05028	2.2
85.02957	1.7
85.06631	0.7
87.00866	2.1
93.03466	44.1
94.03808	1.4
95.01386	0.8
95.05023	0.6
96.96018	40.4
97.35737	0.6
99.00885	0.6
99.04512	2.6
101.02470	1.4
105.03465	0.7
108.02242	0.9
109.02958	0.8
111.00881	1.6
111.04533	8.3
113.02438	0.9
115.00420	0.7
115.07639	1.8
116.88377	0.6
117.03468	1.6
119.05025	0.7
121.02950	2.5
125.02479	0.6
125.09711	0.6
127.04047	1.1
132.02167	1.5
133.02962	6.5
134.03720	1.5
135.04536	9.6
137.01440	0.9
137.02448	8.4
145.02968	1.3
152.01103	1.5
155.03497	7.2
160.01677	1.9
161.02454	28.8
162.02824	1.5
165.01950	1.6
167.03511	1.6
171.10245	1.4
173.04561	100.0
174.04892	4.1
179.03502	7.9
183.13924	1.4
191.05617	10.7
192.05917	0.8
193.05046	1.1
199.13522	0.5
211.13416	9.1
229.14468	8.1
231.10168	0.6
249.13394	0.9
275.09229	1.0
291.14532	0.7
323.07697	12.9
324.07996	1.4
335.07715	4.7
339.11169	0.7
341.08722	3.5
345.22827	27.5
346.23080	2.6
353.08887	0.8
386.26849	0.6
393.17773	1.5
413.12143	0.6
449.14758	4.7
483.76508	0.7
497.12967	2.9
519.28125	68.8
520.28473	10.0
527.34705	0.6
669.30920	0.6
681.31848	0.9
843.36743	14.6
844.37488	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	843.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.4
60.99300	0.5
65.03961	0.9
67.01902	6.2
69.03461	1.8
69.16531	1.0
69.16944	5.0
71.01385	6.5
72.99316	0.5
73.02924	1.0
74.21700	0.4
78.95900	0.6
79.95733	1.8
81.03456	1.2
83.01385	0.6
83.05046	1.9
85.02959	2.1
85.06596	0.9
86.10371	0.5
87.00881	1.2
89.02447	0.8
93.03471	43.8
94.03801	1.1
96.96024	52.8
99.04529	3.8
101.02447	1.8
109.02972	1.4
111.00868	1.8
111.04534	8.1
113.02430	1.4
115.07658	1.6
117.03501	1.1
123.04517	0.5
125.02435	1.0
125.09755	0.6
127.03997	0.7
127.11281	1.0
132.02176	1.1
133.02968	7.4
134.03731	1.5
135.04546	11.4
137.02470	8.7
143.03496	0.5
145.02942	1.5
152.01169	0.6
155.03500	7.2
160.01637	1.4
161.02467	28.4
162.02820	1.3
165.01938	0.5
171.10303	0.6
173.04565	100.0
174.04881	4.2
178.02875	0.7
179.03513	6.7
180.03854	0.7
183.13924	1.9
191.05624	9.5
193.05157	0.7
209.11806	0.8
211.13416	10.0
212.13658	0.5
229.14458	9.1
240.88310	0.5
249.13321	0.8
275.09369	1.3
285.03879	0.6
295.86911	0.5
323.07733	11.0
326.90259	0.6
335.07840	4.7
336.08044	0.7
341.08755	3.7
345.22855	27.9
346.23303	2.1
353.08884	0.8
393.17700	1.2
409.11371	0.8
449.14609	5.2
450.15036	0.8
497.13281	3.0
519.28156	64.4
520.28491	8.9
681.32520	0.9
843.36890	18.5
844.37323	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	843.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.1
59.44577	6.6
61.98829	16.7
62.08718	5.8
63.09922	5.9
69.20708	62.9
71.01384	19.1
80.96544	7.2
82.29225	6.5
83.63576	6.5
87.00908	8.6
89.02449	12.2
96.96005	8.0
99.92543	9.5
101.02414	12.5
113.02495	7.9
116.92873	78.8
125.02472	8.1
138.65367	6.7
171.10303	100.0
235.08348	6.6
255.23329	67.0
256.23645	11.2
269.17865	6.0
272.31714	6.0
379.12515	19.3
386.83264	6.8
397.13492	47.5
415.14474	11.2
452.87860	6.6
454.84113	7.4
551.23907	8.6
635.36133	11.0
639.48871	6.5
653.37653	12.8
760.55035	7.0
807.47192	9.0
843.45142	59.7
844.44794	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	1.6
59.01387	17.3
59.23996	1.0
61.98831	3.5
69.03461	1.4
71.01389	16.1
71.53347	1.1
71.53777	1.5
72.99284	1.0
73.02952	3.4
80.96487	1.0
81.03456	1.3
83.01400	1.1
83.05028	1.6
85.02948	2.6
87.00889	4.4
89.02452	12.0
95.01402	1.4
95.05054	1.4
96.96036	1.3
97.02964	1.9
97.06597	14.0
99.00914	1.0
100.35309	1.1
101.02460	11.9
108.07972	1.1
113.02461	5.8
116.36523	0.9
116.99477	1.0
119.03535	2.5
123.08177	9.0
125.02466	2.4
125.09741	74.8
126.10085	3.2
127.04050	1.3
129.66341	1.0
133.38489	1.0
142.96350	1.0
143.03493	1.8
156.43890	1.0
161.04597	2.2
169.08737	1.5
179.05505	1.1
181.03642	1.2
187.09793	40.5
188.10146	1.3
221.06647	1.4
235.08093	1.6
253.09346	1.2
277.21753	26.8
278.21988	3.0
334.90448	1.1
337.19949	1.0
397.13403	6.0
476.24667	1.2
489.84546	1.1
567.22870	3.6
585.24133	3.5
665.39142	1.7
705.11639	1.1
759.98956	1.3
845.45422	100.0
846.45746	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	845.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.3
61.98832	5.5
69.03459	1.0
71.01389	12.5
72.99322	1.3
73.02958	3.1
77.52765	0.7
82.72217	0.7
83.01386	1.1
85.02965	2.5
87.00903	3.1
88.98841	1.0
89.02448	9.3
95.01466	0.8
95.05083	1.1
97.06601	15.3
98.19945	1.9
99.00885	1.1
101.02456	8.3
113.02466	4.7
119.03550	2.0
123.08178	7.4
125.02471	2.8
125.09741	100.0
126.10088	4.2
128.33586	0.8
131.03505	1.2
143.03548	0.8
143.10776	1.8
161.04562	1.0
169.08714	2.4
179.05629	1.7
187.09775	65.0
188.10127	3.2
191.05663	1.3
211.09885	1.1
221.06653	3.7
277.21771	9.7
278.22119	1.3
397.13803	1.2
567.23224	2.2
585.24060	6.6
586.24512	1.2
845.45465	100.0
846.45776	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.16505	0.3
71.53809	0.4
85.02960	0.4
86.48903	0.2
87.00881	0.5
92.74962	0.3
93.03461	0.3
96.96018	0.4
105.41920	0.3
121.02935	0.4
132.02205	0.6
133.02972	7.5
133.06943	0.3
134.03690	0.4
135.00883	0.4
148.01677	0.3
149.02493	0.4
149.97462	0.2
163.04005	0.5
165.01970	1.5
179.52310	0.3
187.03940	0.4
188.04718	0.9
191.05550	0.8
193.05052	0.4
199.04021	1.0
200.04749	1.0
208.03674	0.4
211.04002	2.5
212.04788	2.7
223.04044	0.7
223.06093	0.6
225.05624	0.4
227.03473	1.6
228.04167	0.8
239.03452	0.9
240.04205	0.4
241.05133	0.4
255.03043	1.6
256.03778	10.4
257.04160	1.0
267.02899	1.5
268.03787	0.8
269.04553	2.4
270.05304	0.5
283.02539	3.1
284.03265	13.0
284.16455	0.3
285.03769	1.1
294.32620	0.3
297.04092	0.4
298.04810	2.7
299.05618	100.0
300.05997	8.6
300.09427	0.4
341.06421	0.4
387.16696	0.6
461.10916	61.9
462.11234	8.4
658.63043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.4
60.99308	4.4
65.03992	0.8
67.01894	9.8
68.99862	0.5
69.03446	4.6
69.58787	4.4
71.01392	6.6
73.02923	1.1
81.03470	2.7
83.01421	0.9
83.05030	2.5
85.02953	3.1
87.00886	13.5
89.02448	1.3
92.41380	0.8
93.03469	78.4
94.03806	2.1
96.95998	3.0
97.02987	0.6
99.00877	1.7
99.04517	1.0
101.02451	2.0
105.75742	0.6
107.01437	0.6
107.96132	0.6
109.02970	1.5
109.91943	0.5
111.04533	10.3
112.04905	0.6
113.02456	2.5
115.04023	1.2
117.03481	2.8
119.05037	33.3
120.05400	1.1
121.02955	1.2
125.02493	1.0
125.09736	0.7
129.01984	1.3
131.08781	0.6
132.02220	0.6
133.02969	8.9
134.03772	8.0
135.04538	26.3
136.04901	0.7
137.02441	2.7
143.03529	1.2
145.02968	15.0
146.03342	0.8
151.00430	1.3
151.03989	0.7
155.03503	2.7
159.04498	0.8
161.02455	22.7
161.04515	0.9
161.06108	2.9
162.03218	5.5
163.04022	31.8
164.04370	1.2
165.38548	0.6
171.10258	1.2
173.04564	36.2
174.04892	1.6
179.03487	7.4
179.10797	0.9
191.05634	12.2
191.07126	0.8
192.06129	0.8
197.11797	3.1
207.10239	0.9
209.11858	5.5
223.09714	1.0
225.11475	1.0
227.07167	1.2
227.46458	0.6
235.06087	4.7
237.07690	1.9
253.07182	20.6
254.07439	1.5
257.08170	1.1
275.09338	3.4
285.04050	1.8
308.09042	0.9
350.94592	0.6
351.07477	0.8
352.08099	1.5
381.09766	1.8
397.13675	1.3
399.10858	100.0
400.11212	11.2
449.14542	72.2
450.14896	8.5
813.35760	0.8
831.37268	1.1
849.37451	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	849.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.9
60.99308	1.0
65.00329	0.9
67.01905	2.7
69.03467	0.8
71.01395	1.9
81.03452	0.6
83.01385	0.8
83.05047	0.9
85.02956	4.3
87.00883	5.0
88.63585	0.6
93.03470	22.5
94.03791	1.1
96.96044	4.4
98.19840	1.1
101.02444	0.8
107.01421	2.0
108.02221	0.8
109.02964	0.7
111.04526	3.7
113.02468	0.6
115.17580	0.5
125.02484	0.7
127.04015	1.4
127.78126	0.5
133.02975	10.2
135.04530	1.0
136.75616	0.6
137.02461	1.6
141.46974	0.6
147.04514	0.6
149.02464	2.0
151.00371	5.1
152.01151	1.2
155.03499	1.7
160.00529	0.8
161.02431	0.6
167.03490	1.5
173.04582	15.6
173.06064	1.3
174.04927	0.6
175.03955	3.0
175.07672	0.7
186.06847	0.6
191.05627	52.1
192.05927	3.1
199.04021	2.2
201.01985	1.0
201.09120	1.1
207.10341	0.6
209.11888	2.2
213.05527	0.8
214.06383	0.8
217.05086	1.2
223.04056	0.6
223.09721	0.6
226.02704	0.5
230.09453	1.0
233.06650	1.7
241.05119	1.3
247.09656	0.6
285.04080	100.0
286.04428	9.5
287.04651	0.9
353.14169	1.3
371.14816	1.2
384.59003	0.6
389.16187	1.7
545.20367	4.3
563.21344	28.0
564.21472	4.5
758.90564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	56.0
60.01740	0.6
60.99316	1.4
67.01895	5.0
69.03452	1.6
71.01389	11.8
71.54689	0.4
72.99314	0.9
73.02956	7.1
76.56405	0.3
81.03471	1.6
83.01398	3.5
83.05030	1.1
83.84010	0.3
85.02956	4.2
87.00889	6.7
87.01404	0.6
89.02459	3.9
93.03468	33.7
94.03811	1.2
95.01430	0.8
96.96042	1.9
97.06624	0.5
99.00905	0.6
101.02456	11.1
101.06086	0.4
107.05032	0.9
108.02192	3.5
109.02969	1.1
111.00903	1.1
111.04526	4.3
113.02458	5.6
119.03497	2.2
121.02975	2.8
122.03738	1.3
122.85588	0.4
123.00880	0.5
123.04543	0.5
124.01676	8.2
125.02479	4.4
126.03233	1.7
127.04057	0.7
129.01927	0.9
131.03508	1.3
132.02156	0.5
133.02959	3.8
134.03758	14.5
135.04539	100.0
136.04773	3.1
137.02466	3.1
139.04005	0.6
143.03506	1.9
145.02856	0.4
146.05826	0.4
149.04573	1.7
149.06110	0.7
150.03259	4.8
151.00374	0.4
151.04021	15.5
152.04390	0.9
154.02771	0.4
155.03514	1.2
160.01653	1.5
161.02475	3.1
161.04547	2.7
161.05853	0.5
162.03250	0.6
163.03972	1.0
167.03491	0.6
171.10318	0.5
173.04567	9.0
174.04944	0.5
177.01924	1.2
177.05544	0.5
178.02725	1.3
179.03517	22.6
180.04286	2.4
181.05013	0.8
189.05658	0.5
191.05626	22.6
192.06017	0.9
194.02162	0.6
197.11917	0.7
201.09128	0.4
209.11842	2.0
221.06842	0.5
225.11392	0.4
226.99117	0.4
239.86871	0.5
257.08206	3.9
275.09296	2.6
285.04025	0.8
290.07944	1.7
306.07382	1.0
307.08282	10.1
308.09030	23.5
309.09335	1.5
323.07706	1.6
330.99402	0.5
351.07129	1.7
352.08011	48.8
353.08286	2.7
381.09631	1.3
399.10681	1.4
449.14569	37.5
450.14883	4.3
849.37195	1.6
877.80615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	55.5
60.99316	1.3
63.83805	0.5
65.03967	0.7
67.01891	5.6
69.03468	1.5
69.58338	2.4
71.01389	11.7
72.99315	0.8
73.02958	8.2
80.60693	0.4
81.03465	1.1
83.01395	2.9
83.05021	0.9
85.02966	4.2
87.00890	7.2
89.02457	3.8
93.03469	33.7
94.55592	0.5
95.01411	0.6
96.96029	1.7
97.02962	0.7
99.00876	0.8
101.02451	12.8
107.05058	1.2
108.02194	3.2
109.03010	1.3
111.04514	3.8
113.02451	5.8
119.03513	1.7
121.02917	2.3
122.03748	1.3
123.00948	0.8
123.04588	0.5
123.87611	0.5
124.01691	6.9
125.02470	3.5
126.03234	1.6
127.04063	1.1
131.03540	1.1
132.02234	0.5
133.02975	3.4
134.03755	15.0
134.04747	1.1
135.04541	100.0
136.04814	3.9
137.02461	2.5
140.36288	0.4
143.03532	1.8
149.04570	1.5
150.03249	5.2
151.04028	14.4
152.04446	1.0
155.03552	1.2
160.01701	1.2
161.02458	2.5
161.04582	3.2
161.05841	0.6
162.03262	0.6
163.04050	1.5
165.02011	0.6
167.03546	1.0
173.04555	10.5
175.04037	0.5
177.01970	1.1
178.02783	1.7
179.03513	25.3
180.04216	3.0
181.06633	0.5
191.05630	25.5
192.05991	0.9
194.02254	1.4
194.64560	0.5
209.11821	1.2
215.05685	0.7
257.08179	4.3
275.09225	2.4
284.03345	1.0
285.04016	0.9
290.08044	1.6
307.08273	9.2
308.09018	23.5
309.09430	1.6
323.07813	1.4
351.07080	2.3
352.08032	51.5
353.08456	5.3
355.17606	0.7
368.54565	0.5
381.09952	0.6
399.10910	1.0
449.14578	39.8
450.14908	4.3
450.57513	0.5
574.78168	0.5
849.37866	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	849.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	1.7
59.01388	21.9
60.99302	3.9
67.01900	12.0
69.03468	7.5
71.01387	24.9
71.05016	2.2
71.54782	1.3
71.55148	1.4
73.02956	3.0
81.03474	5.1
81.54122	1.3
83.01394	2.8
83.05049	8.1
83.05470	1.5
84.02163	1.2
85.02953	8.4
85.03776	1.3
87.00883	20.5
89.02456	11.2
93.03468	100.0
94.03809	2.5
95.01372	1.9
95.05014	1.4
96.96032	9.6
97.02939	2.3
99.00871	4.0
99.04510	1.5
101.02442	13.0
109.06624	1.5
111.04536	12.7
113.02459	5.7
119.03503	2.4
119.05029	9.6
121.02924	1.6
125.02449	4.5
125.09744	2.2
127.03963	1.3
129.01924	1.3
133.02954	4.3
134.03746	9.4
135.04553	12.7
137.02426	3.7
143.03464	2.4
143.24821	1.6
145.02968	4.7
151.00369	2.5
151.11278	1.5
153.12892	2.1
155.03477	3.9
161.02460	10.6
161.04529	1.5
161.05994	1.4
161.09700	2.4
162.03246	6.7
163.04004	10.9
163.11256	3.7
171.10252	3.1
173.04565	45.7
173.06079	2.6
174.04846	2.2
179.03482	6.7
179.05611	1.3
179.10785	3.7
191.05634	25.3
192.05946	2.8
197.11853	51.8
198.12180	3.4
201.09251	1.6
201.11420	1.2
207.10274	3.9
209.11844	46.3
210.12253	2.2
211.13194	1.2
221.06725	1.6
223.09708	3.1
225.11325	3.5
227.12886	2.4
241.10733	4.5
243.12289	2.1
253.07155	6.3
255.06638	1.5
265.12378	2.9
275.09219	4.6
285.04001	7.2
303.56787	1.3
335.07541	2.0
352.08209	2.4
381.09827	4.0
397.13553	3.3
399.05734	1.8
399.10858	30.2
400.11179	4.5
429.11847	2.3
449.14566	80.8
450.14957	12.8
452.53867	1.3
623.25323	1.5
687.30200	3.9
831.36310	1.7
849.37646	92.8
850.38159	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.5
71.01386	15.6
73.02947	2.4
77.48206	1.7
83.01386	2.0
85.02959	3.0
86.26319	1.4
87.00875	3.5
89.02456	12.7
97.02946	2.1
97.06571	2.4
98.19896	4.3
101.02462	9.6
113.02463	3.3
125.02429	1.6
132.50137	1.3
142.62042	1.5
147.91141	1.4
151.11282	10.3
169.12357	37.4
172.61330	1.3
181.04741	1.6
195.10332	2.3
196.83696	1.4
213.11328	4.3
247.27032	1.8
255.23296	44.9
256.23505	2.6
314.67883	1.5
397.13470	2.4
493.46701	1.6
499.69659	1.5
849.48596	100.0
850.48828	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.23801	1.5
71.01390	22.7
71.54401	1.8
72.99298	1.7
73.02955	18.8
74.80363	1.3
79.95753	1.5
83.01397	5.8
85.02956	11.4
89.02445	2.8
93.03455	4.6
95.01347	1.8
96.96030	8.1
97.02950	3.1
99.04544	11.4
101.02448	19.7
107.75826	1.4
109.02867	1.6
113.02465	9.9
113.06080	3.1
117.51398	1.3
119.03448	1.8
122.52279	1.4
123.00882	1.7
123.08147	3.3
125.02456	6.0
131.03560	1.7
136.05325	2.0
138.06891	17.5
139.07634	6.2
143.03473	1.9
151.07634	13.7
152.08455	20.2
153.09230	95.8
154.09549	5.5
161.04556	7.3
165.05562	1.9
165.09221	4.2
173.04530	2.0
182.55627	1.4
190.10110	1.6
191.05626	8.3
203.05577	3.4
205.12341	32.9
206.12672	2.7
223.11368	2.6
223.13405	30.9
224.13660	2.0
226.06355	2.4
235.11803	4.8
241.08678	6.5
260.52841	1.4
261.66724	1.5
276.55057	1.3
367.17670	33.8
368.18018	2.7
379.16080	9.3
385.18573	7.8
427.19714	62.4
428.20139	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	855.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84422	2.1
61.98838	7.4
69.03455	3.3
69.76908	1.9
71.01395	5.6
78.95920	2.8
80.91704	3.4
80.96509	6.3
89.02396	1.8
89.03997	1.9
93.03452	5.6
96.96017	20.3
98.20685	4.1
99.00890	2.1
117.03473	29.9
119.05030	57.3
120.05421	2.4
121.02977	13.7
128.50081	1.9
132.02188	15.4
133.02971	11.6
134.03760	100.0
135.04471	8.9
136.01714	2.5
137.02408	7.4
145.02968	55.6
147.04572	10.0
148.01624	5.2
149.02455	6.6
149.06100	20.7
159.04504	4.2
160.01669	38.5
160.05276	2.3
161.02478	7.0
161.06099	2.6
163.04030	35.4
164.04547	2.2
173.04514	3.6
175.04025	42.1
177.01964	2.7
177.05559	8.2
178.02734	9.3
191.03426	1.9
191.05695	10.9
193.05070	68.4
194.05403	2.7
197.11736	2.2
207.06627	4.0
209.11862	16.1
219.06598	6.2
225.11200	3.6
227.12915	3.9
234.05370	6.2
235.06073	5.0
239.07124	2.7
240.82381	2.3
249.07722	8.1
252.06367	5.1
253.09270	3.0
265.05243	2.8
267.08853	19.8
282.09189	3.3
341.10248	3.7
362.15594	2.1
410.13153	2.4
411.10590	3.0
413.12457	82.2
414.12976	10.9
420.17908	2.2
427.14404	3.5
428.11502	2.3
441.11823	2.5
443.13498	33.3
444.13632	2.6
469.14874	3.7
487.16074	7.3
533.18311	2.7
561.17853	15.0
591.18408	3.8
605.07855	2.8
605.16473	14.9
617.16809	4.1
635.17883	3.3
661.19391	14.5
662.19275	3.1
663.20831	7.2
679.20404	30.2
680.20886	8.3
709.20972	17.3
710.22083	4.7
855.25092	18.6
855.40479	4.8
856.25012	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	855.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99315	5.4
62.14359	1.2
66.69202	1.2
67.01895	14.4
67.52252	1.1
69.03468	4.3
71.01384	18.9
72.99313	1.2
73.02941	5.8
81.03468	3.8
83.01393	3.4
83.05022	2.5
85.02964	3.6
87.00885	20.4
89.02447	8.6
93.03468	100.0
94.03809	2.6
96.96017	9.8
99.00880	2.0
99.04527	47.6
100.04855	1.2
101.02460	23.8
105.03468	2.3
109.02967	2.0
111.04536	14.3
113.02453	6.3
115.04024	1.8
117.03491	2.4
119.03511	3.8
119.05028	1.7
123.04543	3.7
125.02457	17.1
129.01961	2.1
133.02977	7.6
134.03757	13.6
135.04565	6.3
137.02444	2.7
139.04012	1.1
143.03506	5.1
145.02991	7.1
146.04565	2.2
149.04558	3.5
155.03499	5.0
160.01630	1.3
161.02475	1.1
161.04607	6.2
161.05748	1.4
162.03200	4.0
163.04033	1.8
173.04570	53.6
174.04927	2.0
178.02701	1.4
179.03511	1.6
179.05559	2.0
183.02440	1.2
191.05614	29.4
192.05997	1.2
193.98819	1.2
209.11852	1.1
221.06670	1.7
221.69543	1.2
231.10243	12.3
248.36084	1.0
257.08276	2.5
261.13412	2.1
267.06546	5.7
275.09256	29.5
276.09625	2.6
281.08081	1.3
282.08948	2.6
297.11365	1.9
303.14511	3.4
307.08292	5.2
308.09024	1.2
341.10306	5.8
351.07141	1.2
372.41467	1.1
405.17685	26.4
406.18137	3.0
449.14581	88.4
450.14917	13.0
451.59070	1.1
605.20319	2.5
649.19122	2.6
657.21570	1.8
740.18567	1.4
855.28400	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	859.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68252	5.7
61.98830	13.7
66.75611	6.5
71.01379	9.2
80.37961	6.2
87.00884	6.8
94.15083	5.6
96.96026	9.9
101.02431	16.7
103.00378	12.0
116.92889	51.1
126.41737	6.8
171.10263	11.6
199.13417	28.7
209.11908	7.6
235.08324	32.5
253.09229	32.1
277.21741	100.0
278.22046	9.5
279.23422	12.3
291.19534	9.0
293.59793	6.1
309.20862	12.2
327.21808	73.7
327.25497	10.1
328.22229	9.5
343.36008	5.5
364.61255	5.9
397.13132	9.6
563.30414	10.4
636.04340	7.7
787.95453	6.9
859.49243	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11555	0.2
61.98836	100.0
67.01902	0.4
69.03491	0.2
71.01387	2.1
71.54621	0.2
76.22752	0.2
91.04030	0.4
92.42218	0.2
93.03477	0.3
96.96019	1.1
96.99335	0.3
111.04556	0.2
115.00391	3.3
115.95306	0.2
117.03470	1.5
119.05035	3.8
121.02950	0.3
129.46324	0.2
134.03755	0.5
137.02477	0.2
138.41412	0.2
145.02969	6.4
146.03287	0.4
153.47227	0.2
161.02612	0.2
163.04018	3.0
165.19745	0.2
171.03056	0.7
173.04669	0.3
189.04085	0.8
191.05643	1.4
193.05190	0.2
209.11995	0.3
219.06700	0.4
222.70552	0.2
226.06398	3.2
226.08467	0.3
227.06725	0.3
229.01393	0.2
237.07704	1.1
241.08719	1.0
335.07736	1.3
338.31741	0.2
383.11407	1.6
391.10468	0.4
409.11493	0.9
413.12418	1.0
555.15143	5.4
556.15857	0.7
577.17517	0.6
651.21454	0.5
797.24597	4.8
798.24451	1.4
831.57404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.6
70.10579	1.0
73.34611	0.2
73.62431	0.2
83.01398	0.3
93.03476	0.4
96.96017	1.1
97.76628	0.3
98.20637	0.3
107.01408	1.2
117.03490	0.5
119.05026	2.6
121.02934	0.5
132.02173	0.6
133.02972	6.7
134.03281	0.4
137.02455	0.9
145.02979	1.6
149.02454	1.4
151.00389	3.7
163.04004	2.9
173.04622	0.4
175.03983	2.1
185.06094	0.3
189.05501	0.3
191.05609	1.2
199.04002	2.2
201.01945	0.7
209.11906	0.3
211.04089	0.3
217.05136	1.2
219.06557	0.3
227.03514	0.5
229.05128	0.3
240.04324	0.6
241.05090	1.0
243.02922	1.1
255.03015	3.6
256.03790	6.5
257.04340	0.6
283.02521	5.6
284.03281	25.1
285.04053	73.0
286.04382	5.6
375.05103	0.8
383.11349	6.4
384.11829	0.7
390.07462	1.1
409.32672	0.3
433.09296	100.0
434.09610	12.1
434.15631	0.5
466.94247	0.2
477.08054	1.7
752.73401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	0.6
70.26804	1.0
71.01398	1.1
73.02951	0.6
80.81670	0.3
83.01395	0.5
83.51474	0.3
93.03482	0.6
93.46824	0.3
96.96009	0.4
97.02936	0.4
101.02433	0.5
113.02457	0.5
117.03457	1.0
119.05037	1.1
132.02190	34.7
133.02888	2.2
134.03757	12.1
135.04572	0.5
142.67299	0.3
145.02968	1.3
147.04482	0.4
149.06128	1.9
160.01677	100.0
161.02177	5.6
163.04059	0.4
175.04015	93.3
176.04352	4.6
178.02701	1.3
179.03497	0.8
191.05632	0.7
193.05064	9.8
194.05354	0.5
196.49654	0.3
218.09334	0.4
231.68854	0.3
237.07687	0.6
247.06181	0.5
259.06158	0.3
265.07230	0.6
273.71997	0.3
279.99750	0.3
307.08310	0.5
319.08188	0.7
337.09238	0.5
361.09225	1.1
367.08383	0.6
379.10275	0.7
400.09741	0.6
415.11975	0.7
441.12302	0.3
454.47525	0.3
479.03821	0.3
482.39951	0.4
555.14960	1.0
565.16058	0.5
583.16742	0.7
587.15601	4.3
588.16119	0.6
601.17651	0.8
625.17407	1.7
626.18427	0.4
643.18927	2.1
667.18500	1.1
683.19336	0.3
685.19861	1.6
758.09100	0.5
759.21320	1.2
760.20587	0.5
777.22668	0.6
801.22559	4.4
802.23218	1.0
819.23315	3.7
820.23969	0.7
861.08838	0.6
861.24628	10.5
862.25110	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	861.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01705	7.5
62.78757	3.9
71.01015	6.4
71.01391	100.0
71.54574	6.6
72.81318	5.8
73.02959	42.7
73.96130	4.4
79.97565	4.4
83.01407	9.6
85.02963	28.1
89.02456	32.2
93.03469	6.1
93.39442	4.2
95.01402	5.8
95.95280	4.5
96.96017	40.3
101.02457	50.6
112.01642	5.4
113.02470	34.7
117.33296	4.2
119.03516	13.9
123.10488	4.0
125.02464	5.4
143.03555	7.5
149.04596	4.6
157.32620	3.8
160.04010	5.3
161.04562	31.9
173.09621	5.4
179.03447	4.0
189.12856	39.6
191.05566	21.8
203.05649	30.5
207.13940	16.4
221.06471	5.8
225.14938	16.4
241.00208	10.2
255.46016	3.9
267.37817	4.1
304.96747	4.2
311.10437	11.3
355.09152	6.7
369.19150	20.0
387.11526	12.7
387.20316	38.9
388.20444	5.8
429.21323	91.9
430.21619	15.9
515.12665	5.7
525.32391	5.1
856.49982	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	863.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	14.0
63.99245	1.5
67.01884	4.2
69.03434	1.7
71.01391	43.9
78.95952	1.4
85.02982	2.6
88.98816	7.3
89.02450	2.5
91.04021	5.5
93.03463	5.3
96.95998	7.4
96.99300	2.1
97.02957	2.0
99.00912	2.6
115.00387	57.3
116.00805	1.8
116.92863	1.8
117.03477	26.1
118.03811	1.8
119.05043	53.3
120.05383	2.2
121.02972	3.3
125.02424	1.7
133.02908	1.4
134.03738	6.2
137.02478	2.1
145.02968	100.0
146.03339	5.2
149.35808	1.2
159.04485	1.8
160.01675	2.7
163.04024	32.9
171.03020	15.3
173.04561	2.7
185.06059	2.6
189.04042	11.4
189.91524	1.3
191.05627	9.4
193.05072	3.1
209.11821	3.1
211.13394	1.9
213.05569	10.6
219.06593	6.4
223.04167	2.3
224.04782	2.1
225.05408	1.8
226.06424	6.4
229.05414	1.4
237.07719	13.9
241.05101	38.1
241.07652	2.2
241.08684	2.2
242.05486	3.3
256.07443	21.4
257.07895	2.0
271.09772	16.8
281.08252	1.6
285.04208	2.4
325.10709	2.9
335.07825	19.2
336.08279	2.4
369.09753	2.5
391.10321	5.1
409.11508	16.0
413.12262	6.0
461.14914	1.6
555.15118	50.4
556.15729	7.9
563.19086	3.6
566.06177	1.5
585.16107	4.2
607.18439	4.3
638.14459	2.3
663.20441	2.1
681.22070	5.2
734.57330	1.8
827.25592	35.4
828.25714	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	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.0
69.87218	1.3
69.87633	0.7
71.01384	16.1
72.99305	1.1
73.02962	2.2
75.00885	0.6
80.02691	1.4
81.03472	2.1
83.01413	1.8
83.05041	4.3
84.02159	0.4
85.02946	2.9
85.70273	0.3
87.00879	3.8
89.02451	12.5
91.04050	0.4
92.01485	0.4
93.61412	0.3
95.01411	1.5
95.05045	0.8
97.02983	2.9
98.20556	0.5
99.00892	1.0
101.01798	0.8
101.02450	11.5
109.06625	0.6
111.00841	0.5
111.04522	0.5
113.01726	0.6
113.02465	7.6
119.03513	3.6
125.02450	5.8
125.06101	0.6
131.03563	0.4
135.08177	0.7
139.04025	0.6
141.01715	2.0
142.56297	0.3
143.03534	2.9
146.85616	0.3
161.04584	2.9
163.11314	3.9
165.12856	2.0
179.05611	2.7
179.83656	0.3
181.12440	0.9
185.04480	0.4
191.10767	0.6
192.67242	0.4
203.41058	0.4
209.11841	100.0
210.10333	0.6
210.12196	6.6
210.14215	0.4
217.07178	0.8
221.06720	1.4
226.01765	0.4
227.12897	13.0
235.08232	4.3
245.06728	0.5
251.12881	0.5
253.09334	0.8
255.23311	52.4
256.23657	4.3
259.08200	0.6
263.07626	0.5
268.86017	0.4
269.24860	0.6
272.71078	0.4
287.07779	1.5
305.08853	1.5
323.09772	1.3
372.29099	0.4
379.12473	7.5
397.13525	37.2
398.13873	3.3
415.14624	8.3
544.60040	0.4
589.24890	0.7
607.25677	0.8
653.37750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.6
68.99809	0.3
69.03461	1.0
69.86532	0.7
69.86929	0.7
71.01388	14.7
72.99316	1.2
73.02967	2.3
75.00882	0.7
76.06709	0.3
76.22034	0.3
78.95939	0.3
80.02684	0.6
81.03458	2.2
83.01389	1.9
83.05033	4.3
84.02155	0.5
85.02952	3.7
87.00885	4.4
89.02453	13.5
93.03493	0.4
95.01382	1.5
95.05020	1.0
97.02972	2.8
98.20609	0.5
99.00886	1.3
99.04559	0.3
101.02447	12.7
107.55528	0.3
109.06589	0.5
111.04547	0.7
113.02461	6.6
119.03510	3.6
125.02467	6.3
125.06069	0.6
127.04035	0.3
131.03546	0.5
134.87839	0.3
135.08182	0.6
141.01747	0.6
143.03520	2.6
145.05113	0.5
149.04561	0.3
161.04585	3.0
163.11296	3.7
165.12883	2.4
167.03465	0.6
179.05624	3.6
181.12370	0.5
186.73990	0.3
191.10753	1.5
199.06085	0.4
207.10249	0.5
208.10677	0.4
209.11836	100.0
210.12175	5.6
217.07089	0.5
221.06645	1.1
227.12906	12.3
228.13260	0.7
235.08228	5.2
235.10461	0.5
251.13063	0.3
253.09413	0.7
255.23309	54.8
256.23676	4.5
263.07791	0.8
269.24850	0.7
287.07846	1.9
305.08725	2.6
323.09933	1.2
345.45151	0.3
361.11395	0.4
379.12491	7.5
380.12833	0.8
397.13519	39.3
398.13870	3.4
415.14575	8.3
416.14990	0.6
448.35983	0.3
589.25336	0.8
607.26154	0.9
653.37732	1.7
863.48981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03063	0.3
63.02411	0.7
64.98694	0.3
65.00344	0.7
65.64593	0.3
66.37241	0.3
71.54281	0.3
73.87071	0.2
83.01392	0.5
85.02962	0.4
93.03439	0.7
96.96027	1.3
101.02467	0.3
107.01389	1.2
121.02937	0.6
129.03853	0.3
133.02985	2.1
134.03787	0.4
135.04556	0.5
149.02435	0.8
151.00391	2.4
175.04018	0.9
187.04031	0.4
191.05592	2.0
198.03117	0.4
199.04042	0.9
201.01863	0.3
211.04008	0.3
217.05107	0.5
227.03474	0.6
241.05185	0.5
243.03033	0.5
255.03081	0.5
255.06540	0.4
256.03824	2.3
257.04480	0.5
269.04330	0.5
283.02496	0.7
283.99979	0.5
284.03284	39.5
285.04053	87.6
286.04398	6.5
297.04227	0.4
327.05121	1.1
373.18576	0.3
447.09341	100.0
448.09662	10.1
704.24426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	5.1
62.46997	4.5
67.12750	5.1
70.67836	14.4
71.01393	46.7
75.00903	5.6
79.95734	10.3
80.96526	7.3
85.02947	14.2
87.00891	10.6
89.02466	34.6
97.02937	7.4
99.00906	4.8
101.02459	35.8
113.02425	18.5
118.81462	5.0
119.03533	6.9
124.70267	5.2
125.02413	11.8
141.35097	5.3
161.04582	5.6
171.10292	89.3
209.11853	100.0
210.12225	49.3
211.12413	8.1
216.47105	5.3
227.12883	9.7
228.13205	6.8
255.23296	40.7
256.23636	32.2
257.24054	5.9
277.21793	62.0
287.07629	6.2
289.27826	5.1
379.12567	20.8
397.13446	61.5
398.13858	19.4
399.13873	12.2
415.14594	14.0
551.22900	6.3
580.03595	5.4
756.26318	5.6
763.38080	6.2
865.43890	26.0
866.42932	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	867.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	1.4
67.01900	4.2
67.90779	0.3
69.03457	2.4
70.54981	0.3
71.01406	1.6
71.54583	0.5
80.62960	0.3
81.03473	0.8
83.05045	0.6
85.02982	0.5
87.00880	4.7
89.02468	0.5
93.03467	30.0
94.03810	1.1
96.96019	1.4
99.00919	0.5
101.02415	0.4
107.05029	0.3
109.02950	0.9
111.04525	3.9
113.02442	0.7
115.04066	0.4
117.03500	2.1
117.48171	0.4
118.23509	0.3
119.05039	27.2
120.05388	0.8
121.02959	0.8
127.04063	0.4
129.01961	0.4
133.02972	6.2
134.03786	3.3
135.04536	17.7
137.02449	1.9
145.02965	12.5
146.03372	0.4
147.04373	0.3
155.03520	1.1
159.04518	0.6
161.02458	18.9
161.06059	2.8
162.02733	0.8
163.04024	30.9
164.04355	1.4
173.04568	12.8
173.06003	0.6
174.04903	0.4
177.01880	0.4
178.02759	2.0
179.03505	8.1
191.05643	3.4
209.11882	1.6
216.81555	0.4
219.06572	0.6
225.11427	0.3
235.06133	4.4
236.06561	0.4
237.07710	0.9
253.07184	17.6
254.07486	1.2
267.32733	0.3
351.06564	0.4
352.08124	0.5
399.10870	100.0
400.11212	11.4
449.14578	13.1
450.15057	1.1
467.15585	11.1
468.16110	1.7
880.17181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.5
69.03477	0.6
71.01387	9.0
73.02952	1.8
77.35155	0.5
80.02686	1.6
81.03465	2.3
83.01386	1.3
83.05039	6.3
85.02964	2.4
87.00869	2.9
89.02459	7.9
93.03474	3.8
95.01407	1.0
96.96016	4.5
97.02963	2.0
99.00878	1.0
101.02461	7.3
108.02159	0.7
109.06571	0.8
111.04560	1.0
112.98547	0.6
113.02460	4.3
119.03538	2.1
119.05061	2.0
121.02907	0.5
125.02440	3.3
125.06080	0.7
135.04558	1.5
143.03523	1.0
145.02992	0.8
161.02451	1.4
161.04572	1.7
163.04044	1.6
163.11316	4.3
165.12866	2.3
167.03543	0.7
171.10323	1.5
173.04585	2.2
179.03505	1.0
179.05589	2.0
181.12344	0.6
182.66364	0.5
191.05634	6.7
191.10857	0.9
199.09776	0.6
209.11852	100.0
210.12189	5.9
227.12923	14.8
228.13150	1.3
235.08203	2.6
245.06502	0.6
253.09348	0.7
287.07666	1.0
323.09833	1.0
379.12442	3.3
394.11893	0.5
397.13562	20.0
398.13925	1.6
399.10855	3.0
415.14554	4.1
449.14990	1.2
568.71124	0.7
607.26123	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	867.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	7.2
62.92257	0.8
69.31888	7.7
71.01387	17.0
72.99309	1.4
73.02936	2.2
83.01421	1.7
85.02964	5.7
87.00887	4.8
89.02452	16.8
94.17179	1.0
96.43155	0.9
97.02944	2.6
99.00877	1.1
101.02455	12.5
101.03902	0.9
113.02462	7.4
119.03490	3.9
125.02451	6.7
125.09772	0.9
127.11336	1.1
131.03413	0.9
135.83113	0.8
141.01730	1.4
143.03474	2.5
161.04585	4.0
171.10284	100.0
171.80409	1.2
172.10593	3.8
179.05629	2.3
235.08250	6.2
253.09227	1.3
255.23325	67.2
256.23721	5.8
277.21802	0.9
287.07816	2.3
301.09344	1.2
305.08762	2.0
323.09906	1.6
379.12466	17.5
397.13553	40.9
398.13782	3.8
415.14737	7.5
551.23499	4.3
569.24255	2.6
635.36829	2.1
653.37732	4.4
654.38263	1.2
864.39740	1.1
885.74518	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	871.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	0.7
71.01390	7.9
71.54327	0.8
72.99314	0.7
73.02969	1.3
80.02703	0.9
81.03454	1.0
83.01399	1.5
83.05051	3.5
84.02145	0.8
85.02967	2.6
87.00892	2.1
89.02457	8.2
93.03470	4.7
96.96035	3.7
97.02952	1.2
101.02464	7.4
107.71904	0.6
111.04552	0.7
113.02464	2.9
119.03529	2.7
123.04564	1.1
125.02460	2.5
125.06067	0.7
127.25877	0.6
135.04558	1.9
135.08188	0.7
137.02422	1.2
143.03516	1.7
151.70842	0.6
152.01143	2.2
156.01689	0.7
161.02402	1.2
161.04579	1.9
163.11285	3.0
163.81369	0.6
165.12839	1.2
167.03535	2.9
173.04610	4.1
179.05640	4.2
191.05623	5.3
195.45645	0.6
198.11909	0.7
209.11858	100.0
210.12163	6.0
227.12923	28.7
228.13254	1.9
231.84338	0.6
235.08263	3.0
287.07562	0.8
305.08978	1.2
323.09875	1.0
379.12296	3.7
397.13559	33.3
398.13791	2.6
413.17120	0.8
415.14740	7.9
449.14731	3.0
450.14920	1.0
589.25250	4.0
607.25970	5.4
608.26501	1.0
752.85822	0.8
799.38831	1.0
871.37659	15.4
872.37811	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	871.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99286	0.9
67.01894	2.8
69.03439	0.6
71.01392	3.3
81.03451	1.0
82.13730	0.5
83.05045	0.9
85.02958	7.9
87.00883	3.7
93.03465	36.6
93.82146	0.5
94.03788	1.8
96.96029	3.6
97.06600	2.2
99.00904	0.8
101.02425	0.7
109.02966	1.7
111.00864	0.9
111.04517	4.3
117.03488	1.0
119.05030	1.3
127.04007	2.3
133.02965	4.5
134.03772	1.3
135.04539	26.2
136.04811	0.8
137.02463	19.7
137.09711	0.6
138.02791	0.7
145.02969	4.0
153.01994	0.6
154.16951	0.6
155.03490	5.6
160.01631	0.6
161.02449	17.2
162.02837	1.0
163.04015	1.5
171.02916	0.6
173.04561	42.7
174.04793	1.2
179.03511	20.8
191.05624	100.0
192.05954	3.6
199.13420	11.7
200.13785	0.9
211.16927	0.7
225.73357	0.5
239.16528	1.8
296.57462	0.7
307.08316	1.2
318.80963	0.5
335.07721	19.9
336.08026	1.0
343.24942	0.7
353.08807	10.2
354.09085	0.8
355.24713	0.7
362.07635	0.6
373.25949	22.5
374.26199	2.0
407.87460	0.7
449.14386	2.4
497.13022	6.8
498.13364	0.8
547.31299	36.5
548.31604	5.4
579.33716	1.5
679.33679	2.4
700.29272	0.6
709.21985	1.3
709.34644	2.4
871.39740	28.9
872.40179	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	871.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89676	0.9
61.98830	1.1
62.21174	0.8
64.03486	0.8
67.23981	0.9
68.99576	16.5
69.03471	1.0
70.28402	0.9
71.01391	14.1
71.53866	0.9
71.54290	1.6
72.99308	1.2
73.02956	2.2
83.01398	1.3
83.05012	1.3
85.02944	3.6
87.00888	2.0
89.02452	10.6
92.54115	0.8
97.02950	1.4
97.06599	2.2
98.77244	1.0
99.00886	1.0
101.02448	10.2
112.98566	14.4
113.02475	4.6
119.03486	1.6
125.02431	2.2
143.03485	1.5
151.11287	10.6
152.11638	1.0
161.04523	1.2
169.12347	61.7
170.12689	2.3
171.10255	1.1
179.05553	1.2
195.10313	1.5
213.11320	11.1
221.06691	4.5
270.19574	1.0
277.21722	17.0
278.21771	1.6
311.72311	1.0
313.88348	0.9
397.13486	3.9
412.01715	0.9
593.24725	1.7
611.25824	3.6
740.23706	1.0
871.46985	100.0
872.47284	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	871.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.8
64.83900	1.3
69.03477	1.8
70.54586	3.4
71.01392	17.8
72.99303	2.0
73.02956	1.4
73.88455	1.2
83.01404	2.4
85.02957	4.7
87.00855	3.8
89.02451	12.7
93.96560	1.2
95.05004	1.9
97.02988	1.9
97.06592	5.1
101.02448	12.6
113.02447	5.2
114.03548	1.3
119.03500	3.1
125.02433	3.7
127.15093	1.2
130.39716	1.5
139.03955	1.2
143.03508	1.9
151.11314	11.0
161.04558	1.9
163.53783	1.3
169.12354	50.0
170.12662	1.9
179.05602	1.5
195.10388	1.4
209.11830	1.7
213.11372	7.3
229.45177	1.6
235.08197	2.0
277.21750	37.2
278.21976	2.4
279.23300	1.6
319.74252	1.7
397.13586	7.1
563.72333	1.5
593.24152	2.1
600.70416	1.6
871.46985	100.0
872.47375	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	873.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99316	1.3
64.02137	0.9
65.03966	1.9
67.01898	5.4
69.03460	1.5
69.25184	8.5
71.01391	23.3
72.99334	2.2
73.02957	2.4
74.65166	1.0
81.03468	1.7
83.01392	2.3
83.05042	2.6
83.86917	1.0
85.02956	6.4
87.00883	4.0
89.02448	15.2
93.03464	73.7
94.03806	2.2
95.01443	1.9
96.96014	8.8
101.02454	13.3
109.02988	2.2
111.04530	7.7
113.02471	6.9
117.03472	2.2
119.03517	6.3
119.05038	2.4
121.02897	1.1
121.62228	1.0
127.04057	1.5
133.02969	5.2
134.03778	2.5
135.04535	38.0
136.04842	1.7
137.02455	36.9
137.65096	1.0
145.02965	14.5
155.03503	11.9
159.04478	1.7
160.05322	1.6
161.02449	24.3
161.04568	1.4
162.02913	0.9
163.04013	3.3
173.04559	100.0
173.69577	1.0
174.04907	3.1
175.07748	1.4
177.02019	1.0
179.03505	29.9
180.03903	1.3
191.05614	14.8
191.07153	1.9
192.05916	1.4
195.13919	8.9
209.11905	1.4
213.15009	3.0
263.99423	1.0
283.02417	1.9
284.03101	1.0
307.08136	1.8
335.07724	51.4
336.08218	3.6
341.08963	1.5
359.15024	1.8
364.92038	1.2
375.20251	43.6
376.20624	5.2
437.09430	2.6
449.14719	2.6
467.15668	3.3
497.13043	15.6
498.13556	2.0
508.78220	1.1
526.06622	1.1
549.25555	99.0
550.25983	11.6
711.23700	3.3
711.28674	3.9
718.24207	1.2
811.99780	1.4
873.34198	35.5
874.34271	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	873.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.8
71.01367	0.6
71.54403	0.5
74.17746	0.5
82.95411	0.7
85.02962	1.2
87.00895	0.6
91.66025	0.6
93.03468	1.8
96.96023	5.8
99.08179	2.7
119.05031	0.5
125.09724	1.0
127.11270	1.7
134.03812	0.7
155.14519	0.8
167.14441	0.9
171.10274	6.1
172.10654	0.6
173.04564	1.7
183.13904	3.4
189.61992	0.6
191.05632	4.9
193.12395	0.9
209.11812	2.9
211.13411	19.9
212.13806	1.6
227.03622	0.5
229.14456	14.6
230.14906	0.9
255.03001	12.4
256.03391	1.3
282.99487	0.6
283.02524	10.4
284.03125	2.7
285.04123	1.1
313.03568	1.1
329.23355	100.0
330.23654	8.1
381.09778	1.9
446.08585	24.6
447.09079	3.9
543.15027	1.8
605.75916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	0.4
67.01891	1.2
69.03448	0.4
69.81029	1.3
71.01386	1.4
73.02959	0.2
81.03459	0.3
83.01390	0.2
83.05043	0.6
85.02956	7.3
87.00878	2.3
93.03469	9.5
96.96021	2.4
101.02492	0.3
109.02957	0.9
111.00896	0.3
111.04507	1.8
113.02513	0.3
117.03497	0.4
127.04034	2.0
129.01941	0.3
133.02966	2.8
134.03780	0.8
135.04544	10.1
136.04912	0.3
137.02464	1.7
155.03496	0.6
161.02454	6.5
162.02757	0.4
171.02986	0.4
173.04562	5.8
174.04874	0.3
179.01950	0.3
179.03513	7.9
191.05627	100.0
192.05942	3.3
335.07730	1.9
335.95715	0.2
336.08115	0.3
353.08801	11.2
354.09152	0.8
375.27512	2.0
449.14587	0.4
481.17249	0.6
497.13129	0.7
537.09363	0.3
549.32770	2.1
579.32794	0.3
681.35004	2.2
682.35614	0.4
699.35748	0.4
756.48206	0.3
873.41309	17.9
874.41644	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	873.478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98850	11.0
66.97443	7.0
69.97233	5.3
71.01380	18.0
77.44253	6.5
84.75455	6.0
98.19860	12.4
101.02448	8.7
105.04129	6.1
109.06579	14.1
128.77789	7.8
129.92159	6.1
181.08852	7.8
199.09776	45.7
207.10307	29.1
209.11880	29.4
225.11330	20.2
227.12927	8.7
235.08215	12.6
253.09409	14.9
277.21768	100.0
278.21906	7.8
435.18631	15.6
440.56763	6.5
455.98935	7.6
461.20538	6.9
721.42456	14.7
722.43384	8.8
753.53247	7.4
879.98743	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	877.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.9
71.01390	15.2
73.02979	4.0
74.16235	1.5
83.01385	1.9
85.02946	2.7
87.00898	2.7
89.02454	9.6
95.47953	1.7
97.02948	1.7
99.00924	1.8
99.92586	2.0
101.02461	13.1
111.50906	1.6
113.02462	4.0
113.65784	1.6
116.92870	12.9
119.03543	2.0
124.26117	1.7
125.02467	2.6
125.09718	2.2
131.40886	1.7
140.14407	1.9
141.21057	1.7
161.09695	2.3
171.10228	2.4
179.10741	5.7
191.05507	2.5
197.11839	58.9
198.12180	2.6
201.11363	2.1
221.06622	2.0
223.09822	3.2
241.10742	2.1
255.23297	37.8
256.23727	1.9
397.13452	8.5
482.12802	1.9
687.26056	1.8
859.47241	2.2
862.28070	1.9
865.29065	1.9
877.48022	100.0
878.48578	23.5
912.02716	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	877.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32923	0.4
61.98833	0.4
69.03468	4.1
70.71227	1.1
71.01012	0.8
71.01389	13.4
71.05013	1.3
72.01694	0.5
72.99305	1.4
73.02947	2.3
81.03484	0.8
82.36609	0.4
83.01385	2.0
83.05006	0.5
85.02968	3.2
87.00880	2.3
89.02459	8.5
95.01389	0.9
97.02971	2.4
97.06572	0.6
99.00883	1.2
99.92524	0.4
101.02451	7.1
109.06575	0.5
113.02443	3.9
116.92882	2.9
119.03477	1.9
123.08144	1.2
125.02485	2.7
125.09723	1.8
143.03526	0.6
151.11282	2.5
153.12862	0.6
161.04558	0.9
161.09744	3.5
177.77971	0.4
179.10811	5.1
189.53650	0.4
197.11848	33.4
198.12167	1.5
209.11841	1.7
221.06699	1.8
223.09758	1.2
235.08205	1.2
241.10825	1.9
255.23314	44.7
256.23611	3.2
269.24786	0.9
360.43802	0.4
397.13361	2.7
415.14386	0.7
621.25037	0.5
639.25098	0.7
877.48059	100.0
878.48389	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	5.3
67.48168	0.4
69.03472	2.0
70.73699	0.3
71.01404	2.1
81.03460	1.2
83.05046	0.8
85.02973	1.0
87.00888	7.1
89.03994	0.6
93.03471	42.1
94.03806	1.1
96.96008	1.4
99.00885	1.0
99.04540	1.0
101.02407	0.4
109.02932	0.7
111.04541	4.5
113.02460	0.9
117.03481	3.3
121.02989	0.4
123.04526	0.4
125.02383	0.4
129.01941	0.6
132.02225	0.7
133.02977	7.1
134.03760	44.1
135.04559	18.4
137.02473	2.4
138.60484	0.4
139.04037	0.4
145.02911	0.4
147.04555	0.6
149.06102	3.5
151.03993	0.6
155.03516	1.1
160.01691	3.8
160.05348	0.4
161.02458	18.4
161.06068	3.5
162.03214	3.3
165.05528	0.3
173.04572	20.1
174.04825	0.4
175.04018	6.0
175.97710	0.4
176.04501	0.4
177.02040	0.5
178.02740	1.4
179.03514	5.8
179.04990	0.5
180.04111	0.4
191.05647	5.9
191.07172	0.5
193.05074	26.2
194.05386	1.4
209.11842	1.0
234.05475	0.4
235.06148	5.7
242.26424	0.4
253.07188	13.8
254.07610	0.8
267.08701	0.9
275.09317	2.9
308.08780	0.4
351.07422	0.8
352.08023	0.7
429.11935	100.0
430.06442	0.4
430.12280	11.0
449.14581	39.2
450.14862	3.5
632.90381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57860	0.9
69.03458	1.0
71.01388	18.2
71.05017	2.4
72.99331	1.3
73.02953	3.0
78.72247	0.8
81.03458	0.9
83.01408	1.3
83.05022	1.0
85.02958	3.6
87.00896	2.7
89.02444	12.1
94.88350	0.8
95.01383	1.1
95.05011	1.0
96.95983	1.3
97.02953	5.8
97.06609	2.1
98.19830	1.7
98.20523	5.0
99.00888	12.2
101.02460	11.5
106.82047	0.9
109.06580	1.5
113.02459	5.5
119.03500	1.6
123.08173	1.0
125.02470	2.2
125.09760	6.0
142.02705	1.0
143.03484	1.5
161.04550	1.0
163.11334	6.7
171.10292	4.2
179.05544	1.2
181.12379	11.9
197.11853	1.7
199.13409	9.5
207.10271	27.0
208.10619	2.5
221.06676	1.5
225.11333	35.8
226.11723	2.7
229.28772	1.1
235.08191	1.7
243.12386	6.6
255.23325	51.0
256.23691	4.5
291.19504	1.0
305.08713	0.9
314.25342	0.9
379.12598	1.1
397.13565	9.1
415.14774	1.9
488.47522	1.1
605.24384	1.7
623.25311	1.5
861.48712	13.8
862.48761	2.6
879.49646	100.0
880.49939	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	14.9
69.03464	3.8
71.01382	17.8
73.02956	5.6
79.95744	1.2
81.03449	3.6
83.01372	3.0
83.05019	2.3
85.02956	14.3
87.00883	17.3
87.84144	1.3
93.03468	100.0
94.03775	2.8
96.96024	10.0
97.06572	1.4
99.00889	3.4
99.04529	72.6
100.04891	2.2
101.02452	25.1
109.03016	1.5
111.04536	11.3
112.73758	1.2
113.02451	6.4
125.02464	29.9
127.04021	2.1
129.01942	2.1
133.02971	1.5
134.03763	13.5
135.04529	4.1
137.02470	1.9
143.03488	5.1
148.98900	1.3
152.01176	1.6
155.03545	3.7
161.04572	6.5
168.76009	1.2
173.04550	42.4
174.04918	2.4
178.02716	2.7
179.03403	2.2
187.07690	1.9
190.79240	1.2
191.05629	85.2
192.05943	3.3
209.11929	1.8
213.09273	1.6
231.10301	4.2
257.08234	6.3
269.10291	17.4
275.09262	1.5
285.04156	1.4
293.10394	2.6
311.11456	12.2
351.14447	4.2
413.09164	2.7
413.14578	46.2
414.14935	4.6
431.13486	6.6
447.09891	1.6
449.14536	23.9
450.14957	2.2
467.15604	71.2
468.15692	6.8
519.12604	1.6
651.01764	1.4
813.91968	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	881.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93406	0.8
67.43900	0.9
68.26424	0.8
69.24969	8.7
71.01390	32.8
71.48347	0.9
72.66760	0.9
72.99311	1.2
73.02953	10.7
80.70603	0.8
81.03446	1.1
83.01398	5.2
83.05029	3.4
85.02962	13.7
87.00883	2.4
89.02456	11.3
95.01395	2.2
97.02990	1.1
98.20602	1.8
99.00887	3.6
101.02451	21.1
113.02460	13.6
119.03515	3.7
125.02429	0.9
131.03490	1.2
143.03531	2.1
149.04530	1.4
161.04570	10.3
163.11316	2.4
165.12807	2.0
179.05634	3.4
191.05626	5.6
209.11839	100.0
210.12170	5.8
227.12909	14.9
249.25067	0.9
253.09325	14.5
277.89127	1.0
285.04190	1.0
313.16599	3.5
331.17621	12.2
373.18692	28.9
374.19077	2.5
384.01917	1.0
447.08914	1.2
634.69794	1.0
639.03088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4031
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98859	1.0
67.01899	1.3
69.03461	7.5
70.50928	1.9
71.01385	18.8
71.05039	1.8
72.99310	1.1
73.02944	2.6
78.10984	1.0
80.02694	2.1
81.03461	2.7
83.01410	2.3
83.05042	8.5
85.02955	5.8
87.00882	4.5
89.02448	11.1
93.03475	4.8
95.01379	1.4
95.05042	1.8
96.96021	5.3
97.02959	3.3
97.06596	1.0
99.00890	1.8
101.02458	10.4
111.04502	1.6
113.02466	4.5
118.09364	0.8
119.03487	3.5
123.08189	1.9
125.02451	1.4
125.09711	3.5
135.04497	2.4
135.08133	1.1
139.23904	0.9
143.03517	2.1
149.09740	1.0
151.11324	2.2
153.12860	3.0
161.04538	1.5
161.09726	3.7
163.03931	1.0
163.11346	4.7
165.12836	2.1
171.03227	0.9
173.04558	3.2
177.01953	3.1
179.10794	8.0
181.12367	1.5
191.05629	10.1
197.11838	70.1
198.12149	3.5
209.11844	71.0
210.12146	5.0
221.06709	3.8
223.09798	2.2
227.12828	4.3
235.08252	1.2
241.10799	5.1
262.49118	0.9
285.04208	1.3
397.13492	2.2
413.12595	1.1
431.13022	1.2
462.92203	0.9
688.94458	1.1
761.30023	0.9
849.37677	100.0
850.37909	19.6
881.40308	46.2
882.40594	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	881.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	1.5
69.03460	2.0
69.73980	0.8
71.01388	33.6
71.54238	1.0
72.99300	1.5
73.02961	10.6
78.25827	0.8
83.01385	4.6
83.03625	0.9
83.05037	4.4
85.02955	14.1
87.00880	3.5
89.02455	14.1
93.03477	5.5
95.01429	2.4
96.96031	9.9
99.00884	3.3
101.02459	20.3
109.86260	0.9
113.01722	1.6
113.02463	18.0
119.03496	3.8
123.40925	1.1
125.02459	1.2
126.39594	1.1
131.39438	0.9
135.04492	2.7
137.02467	2.4
143.03531	2.3
159.02998	1.7
161.02478	1.1
161.04564	10.6
163.11325	3.5
165.01894	1.1
165.12914	1.6
173.04506	5.0
179.05606	3.8
187.07648	1.2
191.05624	15.6
192.06013	0.9
193.05209	1.5
205.03300	1.0
209.11839	100.0
210.12175	3.9
227.12924	13.5
241.08615	1.2
253.09340	13.3
255.60898	1.0
257.08121	1.1
275.45038	1.0
313.16632	9.6
326.47528	1.0
331.17636	16.9
335.07748	1.6
354.70868	1.2
373.18686	46.1
374.19196	5.1
445.21027	1.3
550.44562	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	883.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	4.8
63.73426	0.7
66.81474	0.7
69.03445	2.4
71.01389	27.6
71.54315	1.6
72.99288	1.0
73.02960	4.0
80.02658	1.1
81.03465	3.5
82.77864	0.8
83.01395	2.2
83.05019	3.1
85.02951	7.7
87.00891	5.8
89.02452	21.1
93.03413	0.9
95.01390	2.3
96.96057	1.4
97.02953	13.4
99.00888	3.8
101.02452	18.3
107.05000	1.4
109.02939	1.3
109.06600	31.5
110.03771	1.2
110.06923	1.0
111.00915	0.9
111.04539	1.7
113.02469	9.2
119.03509	5.4
121.06585	2.5
123.04556	1.4
125.02483	8.6
125.09701	1.4
127.57442	0.8
130.89719	0.7
131.03481	1.7
135.08188	4.1
136.05270	1.6
141.01933	1.9
142.02693	2.6
143.03490	3.9
145.10182	0.8
161.04553	3.1
161.09717	1.5
163.11311	20.5
164.11609	1.3
167.03500	1.0
179.05612	6.4
179.10670	1.0
180.97865	0.7
181.12354	5.4
182.12631	1.0
183.50552	0.8
189.09230	2.4
191.05602	1.4
201.11336	8.5
202.11745	4.2
203.11855	1.4
207.10268	100.0
208.10641	5.1
209.11839	16.7
210.12215	6.6
211.12399	1.8
217.07092	1.3
221.06670	2.2
225.11331	46.8
226.11639	3.3
227.12921	1.3
228.13184	1.2
235.08257	6.3
243.12343	2.5
249.11240	0.9
253.09282	1.8
255.23276	7.1
256.23615	6.3
257.23984	1.9
263.07837	1.4
277.21732	58.1
278.22095	3.7
279.22644	0.9
287.07706	2.2
299.15100	1.1
305.08783	2.7
323.09979	1.2
379.12378	7.3
397.13513	43.2
398.13928	7.9
399.14041	2.9
415.14523	15.2
416.14996	2.4
587.23633	1.4
605.24561	7.6
606.24347	1.0
623.25549	7.7
624.26080	1.2
732.22388	1.0
865.46631	1.5
883.46942	52.3
884.46942	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	885.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	5.3
68.99579	2.9
69.03445	1.4
71.01372	2.6
71.53989	2.3
79.95806	1.6
82.95419	1.9
93.03463	3.4
96.96022	38.9
105.03484	2.1
112.98569	2.9
117.03448	6.4
119.05031	4.9
121.02940	10.0
132.02190	13.4
133.03000	16.5
134.03751	100.0
135.04585	6.8
136.01683	2.6
137.02454	4.7
139.03943	1.4
147.04509	8.3
148.01663	3.1
148.05363	2.1
149.02417	4.5
149.06100	15.8
150.03209	1.5
153.05557	3.5
159.04539	2.6
160.01678	40.5
161.02464	7.7
161.06050	1.9
163.03973	3.1
175.04019	40.9
176.04463	2.0
177.01898	3.4
177.05528	1.9
178.02704	4.1
189.46504	1.4
191.03928	1.3
191.05597	4.4
191.36839	1.3
192.04347	2.3
193.05064	65.3
193.06821	3.3
194.05409	2.1
207.06584	7.6
209.11865	4.5
234.05354	6.8
235.06050	2.4
239.07182	1.7
249.07727	10.6
250.06223	1.6
252.06383	4.3
267.08920	11.0
282.09073	3.1
337.07022	1.5
341.10147	1.9
397.13184	1.8
400.31351	1.7
425.58871	1.5
428.10773	1.9
429.11459	1.6
441.11951	1.6
442.12134	2.5
443.13495	90.1
444.13824	7.8
499.15842	3.5
513.92169	1.8
517.17322	4.3
563.19708	4.1
591.18573	12.0
592.18884	2.1
617.16687	2.2
635.18011	10.5
691.20087	12.5
692.20203	2.4
693.22064	4.6
709.21307	31.2
710.22174	7.5
885.25250	15.2
886.26746	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	885.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57301	0.2
68.02247	0.3
68.99823	0.3
69.03460	0.9
70.61964	0.3
70.71424	0.3
70.71777	0.6
71.01386	14.2
71.05029	0.3
72.99320	1.0
73.02956	2.0
75.00882	0.2
80.02695	1.1
81.03474	1.6
83.01390	1.7
83.05033	4.7
84.02186	0.9
85.02952	3.7
86.35992	0.3
87.00887	3.6
89.02451	11.8
89.12292	0.2
95.01400	1.5
95.05036	0.6
97.02955	1.9
98.20126	0.4
99.00900	1.0
99.87418	0.2
101.02451	11.5
109.02995	0.3
109.06621	0.4
111.00884	0.4
111.04544	0.7
113.02460	6.3
118.59525	0.3
119.03518	3.4
125.02455	5.6
125.06109	0.6
131.03488	0.6
133.05087	0.6
135.08162	0.4
139.04041	0.4
141.01833	0.3
143.03531	2.8
149.02502	0.3
161.04576	2.8
163.11273	4.1
165.12868	2.5
179.05592	3.5
181.12331	0.5
185.04562	0.4
191.10788	1.2
199.06119	0.4
207.10359	0.5
209.11836	100.0
210.12186	5.4
217.07181	0.8
221.06656	1.7
225.11362	0.4
227.12906	12.1
228.13203	0.6
235.08240	4.9
235.10440	0.5
251.12856	0.6
253.09384	0.7
259.20700	0.3
263.07782	0.3
277.21735	46.1
278.22079	4.5
287.07697	1.3
305.08780	2.1
323.09753	0.9
375.57581	0.3
379.12509	5.2
380.12692	0.5
397.13525	32.6
398.13843	2.6
415.09106	0.4
415.14621	8.1
416.15051	0.6
424.63174	0.3
589.25134	0.3
607.25922	0.9
885.47333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.4
68.99846	0.3
69.03476	0.8
71.01385	13.8
72.99313	0.9
73.02955	1.7
80.02679	1.4
81.03455	1.6
83.01406	1.4
83.05034	5.4
84.02174	0.9
85.02953	2.9
87.00884	2.8
89.02452	11.4
93.03502	0.3
95.01387	1.0
95.05046	0.7
96.47671	0.3
97.02956	2.1
97.06581	0.5
98.20670	0.7
99.00892	1.0
101.02447	10.8
109.06600	0.6
111.04519	0.6
111.08134	0.3
113.02456	6.2
113.94228	0.3
115.04028	0.3
119.03520	3.3
121.02966	0.3
123.00867	0.4
125.02465	5.6
125.06087	0.6
127.38319	0.3
131.03603	0.4
133.05206	0.3
135.04509	0.3
135.08188	0.6
139.04019	0.8
143.03493	2.1
149.04576	0.3
161.04570	3.1
163.11299	3.5
165.12875	3.0
167.03474	0.5
171.21320	0.3
172.82846	0.3
179.05629	3.8
181.12393	0.9
191.10771	0.8
199.13361	0.4
207.10315	1.0
209.11836	100.0
210.12183	5.7
217.07156	0.4
221.06737	1.4
225.11334	0.8
226.11652	0.4
227.12898	11.2
228.13077	0.5
235.08221	5.0
245.06744	0.3
251.12860	0.6
253.09294	0.8
259.08090	0.4
263.07614	0.6
277.21735	41.6
278.22089	4.2
287.07834	1.7
305.08762	2.0
323.09900	1.0
361.11435	0.3
379.12457	5.1
380.12717	0.3
397.13522	30.7
398.13699	2.4
415.14630	7.6
416.14676	0.6
525.35699	0.3
589.25183	0.4
607.26031	0.9
657.34705	0.3
675.36127	0.4
885.46918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	1.9
68.29260	0.4
68.99815	0.4
69.03456	0.6
71.01392	14.8
71.24285	0.6
72.99308	1.4
73.02955	2.6
75.00875	0.5
80.02698	1.3
80.96528	0.8
81.03474	1.9
83.01394	2.0
83.05036	6.0
84.02197	0.4
85.02969	3.4
87.00890	4.0
89.02460	11.9
95.01400	1.3
95.05043	1.1
96.96007	0.5
97.02968	2.4
99.00890	1.6
101.02463	11.4
109.06616	1.1
113.02470	7.3
113.06062	0.4
119.03509	3.2
125.02454	5.3
125.06068	0.7
127.04018	0.4
129.29680	0.4
131.03557	0.8
133.05103	0.7
135.08188	0.9
141.01683	0.4
143.03503	3.5
149.04568	0.6
161.04590	3.8
163.11313	4.3
165.12881	2.0
167.03561	0.5
179.05617	3.4
181.12357	1.2
191.10745	1.0
199.06139	0.5
207.10249	3.3
208.10686	1.0
209.11848	100.0
210.12187	4.8
217.07129	0.9
221.06680	1.1
225.11365	3.6
226.11670	0.9
227.12938	12.3
227.15173	0.7
228.13200	0.4
230.53967	0.3
235.08237	4.2
243.12479	0.6
251.12991	0.5
253.09355	1.2
259.08328	0.7
259.20663	0.5
277.21759	45.9
278.22125	4.8
279.23105	0.8
287.07782	1.5
305.08795	2.0
317.16272	0.4
323.10007	1.0
379.08014	0.6
379.12500	7.0
397.13550	35.0
398.13846	3.0
415.14624	7.7
463.12454	0.7
589.25714	0.8
606.24847	0.4
607.26263	1.2
623.25372	0.5
625.26563	0.9
819.87036	0.6
885.47534	4.6
886.48712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	29.9
67.00311	3.6
71.01394	21.8
71.53940	4.4
71.54328	5.2
73.02948	16.3
74.91788	3.3
79.95737	3.8
80.96507	4.9
83.01385	6.5
85.02985	5.0
87.00887	6.6
89.02449	9.0
90.10156	3.9
93.03468	9.2
96.96017	70.1
98.95618	4.8
101.02434	9.9
101.53556	4.1
106.06623	7.7
112.41662	3.5
113.02455	7.3
116.92896	5.2
119.05022	4.1
121.08094	3.8
126.66851	3.3
134.06143	41.7
135.04514	5.6
152.07167	7.2
173.04520	4.5
191.05585	16.8
209.11839	6.3
239.12019	5.0
354.12329	5.2
356.14023	4.2
370.15421	9.0
382.11676	7.8
383.12646	10.7
398.15161	35.6
399.15363	4.1
410.15033	13.1
411.15424	4.3
430.17719	4.2
577.24457	4.9
699.32465	4.0
726.29510	5.1
739.29407	5.1
767.29376	100.0
768.29327	21.6
799.31989	26.0
800.32397	5.7
801.29498	5.3
811.28308	15.5
812.27557	5.8
843.31287	31.9
844.31702	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	887.4648
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98551	1.2
61.98838	14.7
64.98172	0.8
69.03447	2.5
71.01389	16.7
72.99314	1.2
73.02953	2.0
75.00875	2.4
81.03479	1.5
83.01385	3.9
83.05025	1.8
85.02950	3.5
87.00894	4.2
89.02459	11.6
95.01379	1.8
97.02937	1.9
98.96350	1.0
99.00884	1.3
99.83163	0.8
101.02457	11.1
102.88902	1.0
113.02459	5.5
116.92857	1.3
119.03490	2.7
123.08186	1.3
125.02438	3.1
125.09704	2.7
139.11320	1.7
141.12875	1.7
143.03519	2.2
161.04587	1.8
167.10706	2.7
171.10255	2.9
179.05626	2.5
185.11847	61.1
186.12201	2.1
191.05643	1.0
201.11279	1.5
205.78699	0.9
209.11850	26.2
209.13815	2.0
210.12192	1.8
221.06650	2.6
227.12912	5.1
229.10854	1.6
235.08157	2.9
253.78119	0.8
277.21732	20.3
278.22009	1.9
279.23343	12.4
299.04471	1.2
351.94107	0.9
378.71326	0.9
379.12219	1.3
397.13513	14.5
398.13904	2.6
414.39859	0.9
415.14676	4.7
627.24554	1.1
887.46527	100.0
888.46783	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	889.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24866	0.7
71.01392	9.0
72.99267	0.9
73.02596	1.1
73.02962	8.5
76.79659	0.7
80.05067	1.9
83.01391	2.5
85.02958	2.2
89.02457	3.3
93.03440	1.5
96.96025	2.0
98.19923	1.6
101.02455	5.0
104.05154	0.9
106.06683	3.6
113.02451	2.8
120.04575	1.0
122.06131	8.3
132.04576	2.3
134.06137	19.4
138.99007	0.7
143.08522	0.7
152.07191	2.1
158.02457	1.0
160.04063	0.8
160.06389	2.7
174.05574	1.1
190.05116	2.6
191.05594	2.8
209.11629	0.8
213.10347	15.0
214.10635	0.9
226.11127	1.5
237.10510	1.0
239.11928	7.0
241.13481	7.4
251.11880	1.9
267.11432	1.0
277.05997	1.0
277.09781	1.1
279.11316	1.2
280.56168	0.8
285.04108	1.1
285.12491	20.9
286.12738	1.5
293.13013	1.0
296.11310	1.3
305.09341	2.0
314.12698	1.0
328.10953	1.7
337.11926	1.1
340.14441	1.5
341.11581	1.2
342.12390	1.1
343.13382	1.8
344.14001	1.7
356.13931	1.6
357.14859	1.2
358.15616	5.7
359.16028	1.1
368.10089	1.2
369.14810	1.3
370.11569	1.0
370.15625	2.0
372.17416	1.5
384.13525	2.9
384.17728	1.2
396.13324	1.1
397.14679	1.5
398.15042	3.2
399.15439	1.2
400.16724	5.6
410.14966	1.3
412.16824	4.9
426.14688	0.8
444.15845	1.3
519.23834	1.1
559.19281	1.1
727.29883	1.9
753.61469	0.8
769.31500	4.3
771.30103	1.0
785.30469	2.7
786.31055	0.9
795.28247	1.1
813.29932	100.0
814.30273	24.5
845.32526	13.2
846.33118	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	889.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	2.0
67.28590	0.6
69.03463	1.4
70.76256	1.5
70.76634	1.4
71.01392	19.3
72.99329	1.5
73.02946	2.7
81.03454	1.6
81.08551	0.8
83.01415	2.4
85.02958	4.7
87.00878	5.4
89.02459	14.8
95.01416	1.6
96.96030	0.9
97.02978	3.8
99.00903	0.7
101.02456	13.3
113.02454	6.5
119.03516	3.9
125.02458	5.8
125.09727	0.7
127.11335	2.2
143.03487	3.1
145.05159	0.8
161.04637	3.6
171.10291	100.0
172.10646	3.3
179.05647	4.6
199.06085	0.8
209.11803	1.3
217.07205	0.9
221.06766	1.2
235.08191	6.9
238.53780	0.7
253.09438	1.2
259.08197	1.0
277.21756	71.0
278.22174	5.6
287.07733	3.1
301.09088	0.8
305.08731	3.2
323.10294	0.9
379.12457	17.3
380.12610	1.0
397.13538	46.6
398.13721	3.5
415.14587	8.6
551.23682	2.2
569.23993	3.3
638.56805	0.6
642.57910	0.7
657.35107	1.7
675.36169	2.0
732.58502	0.8
889.48273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01913	1.1
69.88815	2.3
69.89213	1.4
71.01385	1.6
75.10168	1.1
85.02953	3.9
87.00888	2.1
89.03986	1.1
93.03474	6.5
96.96018	8.9
98.20647	1.1
109.02968	1.0
113.02449	1.4
117.23802	1.0
127.03941	1.3
132.02187	32.1
133.02950	2.7
134.03770	13.5
135.04543	7.0
137.02437	2.4
149.06076	1.9
160.01674	100.0
161.02312	6.0
171.98192	1.0
173.04616	5.6
173.05859	1.2
175.04021	89.2
176.04323	5.2
178.02733	2.0
179.03474	3.6
191.05632	28.4
193.05096	7.8
206.40068	1.1
209.11841	1.5
211.18204	1.0
215.07085	1.3
229.01447	1.9
281.11804	3.2
311.05728	1.8
337.03540	2.4
345.65369	1.2
353.08777	1.6
493.97388	1.1
581.17175	1.3
638.13580	1.5
643.19360	1.8
667.17841	1.5
685.20294	1.4
703.15381	3.1
705.21967	1.3
714.38684	1.0
738.67017	1.1
800.21490	1.6
801.23077	5.1
819.23322	4.9
820.23895	1.2
861.24591	34.3
862.24609	9.4
890.31647	1.1
897.27673	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	897.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02425	0.5
65.00346	1.0
67.01907	0.5
70.34395	0.9
83.01385	0.8
85.02959	1.6
87.00869	0.5
93.03471	3.9
99.04503	0.5
107.01395	1.5
113.64928	0.4
121.99442	0.4
133.02959	3.2
134.03687	0.7
135.04489	0.5
137.02411	0.5
143.05025	0.3
149.02449	1.2
151.00389	3.2
152.00781	0.5
159.04575	0.5
165.57098	0.4
173.04576	4.9
175.04010	1.3
176.04384	0.5
183.04529	0.7
185.05954	0.5
186.96808	0.4
187.07616	1.3
191.05630	27.5
192.05849	0.8
197.06238	0.4
199.04016	1.8
200.04637	0.6
211.04095	0.8
213.05363	0.4
213.09250	1.1
215.07204	0.5
217.05267	0.6
218.40654	0.4
227.03624	0.7
231.10262	0.7
241.04990	0.5
255.03053	1.0
256.03729	2.1
257.04172	0.8
257.08228	2.3
275.09186	1.8
284.03296	43.9
285.04022	100.0
286.04358	29.7
287.04602	12.3
288.05017	0.4
327.05191	1.1
328.05353	0.6
402.40942	0.4
440.74069	0.4
447.09357	96.3
448.09711	40.6
449.09891	28.1
449.14810	5.2
450.10129	1.2
450.15088	1.0
663.83044	0.5
906.43610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18909	4.9
71.01389	11.6
73.02954	5.4
79.95724	0.5
83.01399	1.4
84.24102	0.5
85.02950	4.6
87.00893	0.6
87.04550	1.0
89.02460	5.6
95.01393	1.3
96.96036	2.9
97.02976	0.6
98.20768	0.9
99.00859	0.6
101.02454	7.4
113.02465	8.8
119.03526	2.1
125.02365	0.7
131.03511	0.9
133.02975	8.0
149.04582	0.5
161.04532	3.7
165.01904	1.4
185.11798	0.6
187.13396	4.9
191.05586	2.6
199.03925	0.6
211.03979	2.4
212.04791	2.9
222.02966	0.5
223.03957	0.7
225.05640	0.6
227.03497	1.1
239.03519	1.4
242.54134	0.5
255.03107	2.6
256.03790	9.7
257.04224	0.8
266.72809	0.5
267.03003	1.4
268.03796	1.0
269.04538	3.3
270.04956	0.5
283.02551	4.2
283.05380	0.9
284.03268	15.2
285.03735	0.8
298.04828	3.2
299.05627	100.0
300.05994	8.1
331.17664	20.3
332.18039	2.3
349.18744	9.5
350.19196	0.8
367.77441	0.5
381.47592	0.5
391.19742	28.5
392.20032	2.7
461.10934	62.3
462.11270	7.3
519.08838	0.6
854.29877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71228	9.1
67.01880	10.9
71.01390	23.0
71.53944	11.1
75.27390	8.7
80.96500	18.9
87.00880	14.2
88.98801	14.3
89.02451	16.5
93.03492	64.3
101.02492	13.7
105.03693	9.7
109.06551	23.4
114.56628	9.1
163.11310	16.1
173.04497	26.6
188.85970	9.2
191.05623	13.6
207.10315	78.6
225.11346	33.0
238.50093	10.0
255.23328	66.7
277.21790	20.1
379.12503	13.2
397.13458	72.3
415.14352	17.2
607.30676	11.6
619.68970	9.6
653.37903	13.4
861.48761	100.0
862.49542	22.8
897.46771	84.2
898.45959	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	897.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	17.3
71.72400	6.3
75.00862	7.1
89.02449	10.3
93.03448	8.7
97.02957	6.5
99.00941	6.8
155.07388	5.8
196.82939	6.0
207.10309	28.0
209.11951	7.1
225.11333	35.8
229.22403	6.8
243.12302	16.5
255.23312	40.0
373.87418	7.5
397.13483	21.3
484.78055	8.3
605.24170	15.8
796.29919	6.8
819.04968	6.5
861.48450	100.0
862.49292	21.4
897.46564	91.4
898.47284	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22002	1.4
69.03486	1.8
71.01391	19.3
71.53928	1.5
73.02946	2.2
81.03492	1.5
81.47575	1.6
83.55302	1.4
85.02956	5.3
87.00883	4.0
89.02455	13.0
96.96025	6.7
97.02959	3.3
99.00891	6.8
101.02452	10.0
111.00922	1.3
112.98846	3.4
113.02483	6.1
119.03497	1.4
123.02803	1.3
125.02437	3.4
125.09725	6.0
127.11314	5.5
128.79387	1.5
143.03510	1.8
155.10785	2.0
156.12686	1.4
161.04581	2.0
163.11264	1.9
171.10387	1.7
181.12367	4.4
199.09746	1.9
199.13388	4.5
201.09595	3.1
201.11362	42.0
201.13243	2.0
207.10286	9.0
209.11833	9.0
221.06590	1.8
225.11372	14.0
235.08276	3.0
243.12384	4.6
255.23334	56.1
256.23526	4.1
263.07733	1.7
277.21704	8.5
397.13522	8.2
861.48993	8.9
879.49603	5.1
897.50793	100.0
898.51001	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	897.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44469	0.8
68.99831	1.6
69.03477	1.1
71.01389	100.0
72.99328	1.1
73.02949	4.0
75.00884	1.6
81.03448	1.8
83.01404	3.6
85.02946	7.9
87.00890	6.2
87.61161	1.0
89.02449	19.6
94.32864	0.9
95.01413	4.3
95.05066	1.2
97.02942	5.3
98.20715	1.2
99.00896	3.0
101.02456	19.5
109.02878	0.8
109.06617	5.1
111.04564	1.0
111.61733	0.8
113.02461	10.2
119.03510	5.3
125.02471	8.2
125.09718	3.0
127.11316	2.2
131.03526	0.8
136.05328	1.0
137.09810	0.8
141.01985	1.4
143.03528	3.3
161.04590	5.2
163.11328	4.8
171.10286	48.9
172.10585	2.5
179.05597	5.3
181.08725	1.0
181.12317	2.5
183.36678	0.8
193.79343	0.8
199.06221	0.9
199.09741	13.0
201.11327	14.6
207.10263	20.9
215.12895	1.2
217.07071	1.2
221.06599	2.6
221.11867	2.9
225.11325	14.5
235.08189	8.1
239.12950	2.1
243.12346	1.7
253.09238	1.3
255.23311	73.7
256.23666	5.9
277.21667	2.0
282.51709	1.1
287.07971	1.6
305.08710	1.9
379.12598	5.7
397.13528	43.7
398.13754	3.2
415.14697	11.8
605.24207	1.5
623.25470	2.2
648.02515	1.1
653.37689	1.2
696.11462	1.4
835.47192	4.1
861.48798	10.4
862.49335	4.6
879.49158	2.1
897.50958	15.0
898.51019	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	897.509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02145	1.2
68.99821	1.3
69.03468	2.1
71.01388	100.0
71.53455	1.1
72.99308	2.6
73.02934	4.1
80.96519	1.7
81.03444	2.3
83.01385	3.7
83.05015	1.4
85.02967	6.8
87.00890	6.6
89.02448	19.7
97.02953	5.6
99.00848	3.8
101.02446	18.2
102.02797	1.4
109.06621	6.5
113.02462	9.4
119.03520	5.9
125.02454	7.9
125.09746	2.0
127.11307	2.1
141.01714	14.1
143.03516	3.0
155.10719	1.4
161.04553	4.3
163.11285	4.2
171.10291	48.3
179.05597	4.1
181.12393	2.7
191.05603	3.3
199.09778	13.1
199.13400	2.1
201.11331	17.4
207.10265	23.7
209.11852	4.3
214.10126	1.1
221.06743	3.1
225.11345	16.5
235.08234	6.5
243.12457	1.7
253.09470	1.9
255.23320	76.5
256.23611	7.3
269.24670	1.4
277.21753	3.3
287.07773	1.4
305.08728	2.3
305.25171	1.3
379.12521	5.6
397.08340	2.2
397.13531	44.7
398.13779	3.6
415.14679	11.9
623.25299	1.9
653.37598	1.8
835.46875	3.1
836.46405	2.2
861.48859	12.1
862.49054	3.8
879.48254	3.5
897.50281	19.3
898.50415	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	899.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	10.3
69.03452	3.2
71.01389	8.4
71.54981	0.8
71.55372	1.0
73.02969	1.3
78.63173	0.8
79.95738	1.1
81.03481	2.1
83.05031	2.6
85.02950	6.2
87.00887	18.4
93.03469	93.3
94.03807	3.2
96.96017	10.3
97.06581	1.1
97.07146	0.8
99.00890	2.3
99.04517	1.8
101.02466	2.6
102.98608	1.5
105.03439	1.3
105.18346	0.7
109.02943	1.8
111.04532	12.8
113.02482	1.7
116.49491	0.9
119.03473	0.9
121.91563	0.8
123.04597	0.9
125.31637	0.8
127.04021	2.0
127.41760	0.7
129.01941	1.6
133.02971	5.0
134.03748	13.8
135.04550	9.4
137.02455	3.2
143.03514	1.2
155.03497	2.7
160.01694	1.2
161.02417	2.4
161.04543	0.9
162.03233	4.2
173.04561	52.0
174.04890	2.1
179.03506	1.8
182.17624	0.8
191.05630	37.3
192.05974	2.9
193.05975	0.9
209.11787	1.9
231.10323	9.1
232.10637	1.4
257.08340	1.9
269.73209	0.8
275.09265	28.4
276.09543	2.3
285.04205	1.0
351.07376	1.0
351.12085	0.8
352.07953	1.0
386.14847	0.9
416.39783	0.8
441.47318	0.8
449.14569	100.0
450.14914	11.8
467.15845	4.0
481.16977	5.7
603.35583	0.8
707.22040	1.0
757.29510	0.8
899.30353	1.4
932.74713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74366	0.4
69.03463	3.8
69.25059	3.8
71.01386	13.7
71.05025	1.3
71.72545	0.4
72.99326	1.3
73.02964	2.0
81.03458	0.5
83.01386	1.0
85.02958	3.1
87.00873	3.2
89.02454	9.0
92.16506	0.4
95.01403	1.3
96.42451	0.4
97.02952	1.7
98.19954	1.0
98.20614	0.7
99.00917	1.0
101.02451	8.6
111.00889	0.5
111.04523	0.5
113.02468	3.5
113.46370	0.4
119.03513	2.0
123.08179	1.3
125.02462	1.9
125.09747	1.8
137.09790	0.5
143.03482	0.8
151.11299	1.4
153.12871	1.4
154.44565	0.4
161.04573	1.2
161.09731	2.6
169.12309	1.4
171.10231	0.4
179.05630	1.3
179.10764	4.5
191.05559	0.7
197.11836	58.3
198.12213	2.8
198.68439	0.4
205.08714	0.8
221.06599	1.8
223.09756	2.2
235.08235	1.0
241.10864	4.4
277.21735	20.5
278.22107	1.7
297.12692	0.4
313.02563	0.4
397.13480	2.8
415.14557	1.2
456.03723	0.4
461.11649	0.5
576.10559	0.4
579.40155	0.5
621.24268	0.9
639.24988	1.1
881.45825	0.8
899.46509	100.0
900.46838	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	899.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	4.2
71.01015	0.9
71.01388	12.5
71.05025	0.9
72.99324	1.2
73.02944	2.6
73.22121	0.6
74.24594	0.6
83.01418	0.9
85.02967	3.2
87.00883	1.6
89.02456	7.0
91.33231	0.7
95.01378	1.0
97.02953	2.1
97.06544	1.0
99.00884	1.8
101.02452	7.6
107.55956	0.6
113.02467	3.8
119.03496	1.9
123.08165	1.7
123.62139	0.7
125.02460	2.2
125.09721	1.9
143.03529	0.8
149.09784	0.7
151.11276	2.2
153.12852	1.3
161.09723	3.4
169.12260	0.9
179.05574	0.8
179.10786	6.9
197.11850	35.2
221.06741	1.5
223.09772	1.7
230.49706	0.6
235.08305	0.8
241.10820	2.4
245.78529	0.7
277.21750	31.1
278.22067	2.7
397.13538	2.4
636.56671	0.6
758.45764	0.7
881.45135	0.8
899.46509	100.0
900.46796	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	899.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62184	2.1
71.01383	14.9
75.00877	4.9
76.09108	2.2
80.96533	3.0
83.05019	2.8
85.02952	4.2
87.00884	3.5
89.02481	11.4
91.78648	2.5
101.02448	9.6
113.02457	3.9
119.03532	4.2
125.02437	3.7
139.68613	2.6
143.03528	4.2
145.90837	2.3
161.04608	5.2
209.11844	100.0
210.12178	5.7
227.12910	27.1
228.79698	2.3
235.08264	6.2
255.23279	49.5
256.23669	6.5
287.07806	2.6
305.08737	3.8
323.09641	2.7
379.12390	17.5
397.13541	70.9
398.13983	5.3
415.14563	15.2
589.24768	4.2
607.25519	3.2
635.36493	6.8
653.37567	13.6
845.49432	5.4
899.47852	42.8
900.47607	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	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	2.0
69.15681	5.6
69.16105	3.3
71.01017	1.7
71.01388	25.4
71.05030	2.2
72.99308	1.1
73.02953	2.5
73.27411	0.8
73.33823	0.9
81.03437	1.4
83.01385	2.0
85.02949	3.8
87.00881	4.7
87.71469	0.8
89.02447	11.2
95.01401	1.9
96.95986	1.0
97.02956	6.4
97.06589	1.7
98.20697	1.6
99.00898	12.7
101.02448	11.7
109.06580	3.2
110.03723	1.9
113.02465	6.1
119.03526	1.7
123.08131	1.4
125.02443	4.0
125.09733	5.8
127.11343	1.3
135.08087	1.0
140.80099	0.8
142.02690	1.8
143.03539	1.4
161.04520	1.7
163.11270	7.5
164.11572	0.9
171.10298	8.7
179.05588	1.5
181.12361	18.2
191.05519	1.0
197.11864	2.4
199.13405	16.3
200.13686	1.1
201.11330	2.6
207.10263	36.5
208.10599	2.3
215.12932	0.9
221.06592	4.2
225.11336	56.2
226.11693	2.7
235.08304	1.7
243.12372	17.2
263.07724	1.0
277.21722	33.6
278.22000	2.5
379.12390	1.5
397.13422	11.6
415.14365	2.5
541.32220	0.8
547.47693	0.9
605.24377	4.5
623.26245	7.4
883.47119	14.9
884.47644	2.7
901.48010	100.0
902.48151	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	901.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.4
69.21968	0.6
71.01385	18.8
71.05010	2.0
72.99310	1.5
73.02939	2.9
80.96523	1.0
81.03446	1.2
83.01381	2.3
83.05022	1.2
85.02956	4.8
85.99526	0.7
87.00871	3.2
89.02452	9.9
95.01361	2.4
95.05009	1.0
96.95999	2.8
97.02948	5.8
97.06584	2.3
99.00895	11.0
99.04522	0.8
101.02470	8.7
106.77808	0.8
109.06579	1.9
111.04578	0.9
113.02460	6.4
119.03490	3.1
123.08142	1.6
125.02450	3.0
125.09734	5.6
136.05353	0.8
141.01833	0.8
142.02678	1.1
143.03516	1.4
161.04524	1.7
161.09705	0.8
163.11281	7.2
171.10283	8.6
179.05580	1.9
179.10797	1.0
181.12354	11.5
181.13924	0.6
187.79498	0.8
199.09697	1.2
199.13411	10.7
201.11340	3.3
207.10263	29.3
208.10539	1.3
215.12848	1.8
221.06639	1.4
223.09828	0.9
225.11327	40.6
226.11679	1.6
229.68103	0.9
235.08220	1.7
243.12399	7.6
245.06635	0.8
257.19229	0.8
277.21735	43.0
278.21979	3.7
379.12445	2.9
397.13489	12.8
398.13950	0.8
415.14731	2.4
496.61115	0.8
605.24371	3.3
623.16760	0.8
623.25885	3.2
624.26251	1.2
883.47113	15.3
884.47589	4.1
901.47980	100.0
902.48267	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	903.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	1.1
69.03450	0.3
69.36684	1.4
69.37106	0.4
69.37288	0.2
71.01387	1.5
73.02943	0.5
81.03474	0.6
83.01397	0.5
83.05020	0.4
85.02957	6.7
87.00893	2.6
89.02398	0.2
93.03475	7.6
96.96051	1.3
99.00885	0.3
99.04548	0.3
101.02455	0.5
109.02995	0.7
111.04551	1.3
127.04021	2.0
133.02985	1.7
134.03731	0.4
135.04546	7.6
137.02441	0.5
155.03494	0.3
161.02457	4.6
171.03059	0.4
173.04575	3.3
179.03528	6.5
180.03935	0.3
190.32094	0.2
191.05630	100.0
192.05988	3.0
269.96954	0.3
285.04144	0.4
297.10666	0.3
299.05533	0.3
335.07855	0.6
353.08789	9.0
354.09195	0.7
400.36646	0.3
401.12247	0.3
431.09802	0.3
513.26343	0.3
515.14203	2.3
516.06458	0.2
557.15039	1.8
599.16400	0.4
885.29773	0.3
903.31458	11.8
904.31451	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	903.401
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35804	2.5
69.36224	4.5
71.01384	7.1
73.02967	1.5
80.02697	1.3
81.03478	0.9
83.01389	1.3
83.05036	3.7
85.02970	2.2
87.00882	3.1
89.02470	5.3
89.50376	0.8
90.95415	0.8
92.27910	0.9
93.03477	3.8
96.96007	6.0
97.02934	1.2
99.00952	1.3
101.02464	6.2
109.02971	2.3
111.04513	0.9
113.02481	3.7
119.03516	2.0
119.05042	0.9
125.02465	2.3
134.03746	0.9
135.04518	2.0
137.02466	3.0
143.03557	1.7
153.01973	1.2
161.04590	2.1
163.07561	0.9
163.11275	3.1
165.05515	0.9
165.12837	1.7
173.04564	2.5
179.05748	3.9
191.05563	5.8
191.10789	1.2
207.10286	0.8
209.11835	100.0
210.02966	1.0
210.12132	5.3
227.12907	25.0
235.08240	3.2
255.03148	0.8
260.87616	0.9
260.91113	0.8
305.08884	1.1
350.93134	1.0
379.12402	6.5
397.13528	32.9
398.13861	3.0
415.14691	6.4
589.24921	8.0
590.25726	1.2
607.26105	12.8
738.61499	0.9
753.57074	0.9
799.37543	3.9
835.39203	1.9
903.40100	21.9
904.41010	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	903.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03477	1.4
71.01014	1.2
71.01395	20.7
72.99320	1.1
73.02965	4.4
80.02686	1.4
81.03451	1.6
83.01403	1.7
83.05040	5.0
85.02951	6.0
87.00879	6.0
89.02459	17.2
95.01381	1.0
96.96022	1.2
97.02953	2.3
99.00903	1.4
101.02453	13.8
110.51950	0.7
113.02453	8.9
115.62135	0.7
116.92908	1.0
119.03526	5.3
125.02454	6.8
125.09697	1.7
127.11311	3.5
135.08163	0.9
135.96446	0.8
139.04031	1.1
143.03505	3.6
152.76134	0.6
155.10818	1.7
161.04553	5.0
163.11339	4.5
165.09251	1.3
165.12837	1.7
171.10271	2.8
176.00429	0.7
178.11572	0.7
179.05608	6.4
192.48730	0.7
199.06181	1.1
199.09683	1.5
201.11346	87.0
202.11609	3.8
209.11848	100.0
210.12144	4.5
217.07170	1.4
221.06664	1.8
227.12872	11.6
229.58037	0.9
235.08200	5.8
277.21744	61.6
278.22006	4.9
287.07645	1.6
305.08765	3.1
323.09930	1.3
379.07928	1.2
379.12482	9.9
397.13525	55.7
398.13751	4.3
399.13589	0.9
415.14618	14.1
461.32690	0.9
472.21039	0.8
567.23029	0.9
581.24573	1.5
599.25348	3.4
607.26343	1.9
675.36334	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	905.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.8
69.45800	0.4
71.01400	1.1
73.02914	0.5
77.05382	0.3
79.05534	0.5
85.02959	0.9
87.00886	0.6
89.02520	0.5
93.03471	4.6
95.05059	0.4
96.96021	1.7
98.20683	0.8
99.00915	0.3
101.02438	1.0
107.03786	0.6
108.04634	0.4
113.02428	0.7
115.16294	0.4
120.04569	2.5
121.05354	2.3
122.06132	6.1
134.06088	3.0
135.04530	0.7
135.06888	1.2
136.07690	12.0
137.02509	0.4
146.06123	0.5
158.02458	1.4
161.07204	1.0
171.11816	2.4
173.04567	2.8
184.07597	0.6
186.09235	0.7
189.10339	0.6
190.05083	4.3
191.05701	2.2
198.09267	1.8
199.10088	2.1
207.13885	0.6
214.07576	0.7
214.12384	11.1
215.12660	0.4
226.07593	0.5
227.08217	2.4
228.08980	1.1
229.09850	5.1
230.11856	4.3
241.09842	6.0
242.10622	16.3
243.10982	0.6
249.09218	11.2
250.09613	0.5
257.12967	83.3
258.13281	5.6
275.09357	0.5
301.11948	100.0
302.12289	6.5
308.06485	0.5
323.10236	0.7
337.11957	1.4
338.12643	0.5
433.51276	0.4
449.14444	4.1
450.14929	0.5
455.13266	1.3
517.18579	0.7
559.19385	15.4
560.19678	2.7
707.91107	0.4
785.30249	0.6
829.30005	1.1
861.31793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.8
68.29945	0.3
70.10667	1.4
71.01391	1.5
73.02947	0.9
79.05565	0.5
81.03471	0.3
85.02972	0.7
87.00898	0.7
89.02470	0.3
93.03469	5.0
95.05062	0.7
96.96037	0.9
101.02457	0.7
107.03800	0.5
108.04582	0.5
111.04533	0.6
113.02473	0.5
120.04571	2.6
121.05381	2.1
122.06138	6.3
132.04582	0.4
134.06126	2.9
135.04549	0.6
135.06944	0.8
136.07687	11.2
137.02493	1.0
143.14116	0.3
144.57626	0.4
146.06163	0.6
148.07751	0.6
158.02484	1.3
161.04927	0.3
161.07211	1.2
162.05589	0.9
171.10532	0.4
171.11824	1.5
173.04555	2.9
176.75061	0.3
177.87025	0.3
184.07658	0.4
186.09303	0.7
188.95633	0.3
189.10399	0.5
190.05086	5.0
191.05653	3.1
198.09297	2.4
199.10019	2.0
207.13914	1.3
209.11942	0.5
214.07387	0.4
214.12389	11.0
215.12605	0.8
226.07532	0.9
227.08304	2.0
228.08986	1.2
229.09821	4.7
230.09947	0.4
230.11925	3.7
234.06741	0.6
241.09860	7.3
242.10623	15.2
243.10873	1.1
249.09213	9.0
250.09561	0.5
256.12128	0.5
257.12970	82.2
258.13287	6.1
275.09158	0.7
276.72327	0.4
293.08316	0.4
301.11951	100.0
302.12292	7.6
305.09225	0.5
337.11948	1.6
365.86185	0.4
449.14630	3.2
450.14981	0.7
455.13605	1.6
466.33905	0.3
515.18848	0.4
559.19354	17.4
560.19861	3.2
785.30133	0.4
829.29333	1.0
861.31824	1.0
862.32306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21013	1.5
69.37028	12.6
71.01391	24.4
73.02954	11.8
79.46150	1.7
79.95746	2.7
80.96524	1.8
83.01391	4.3
85.02949	11.2
86.42834	1.6
87.00914	2.3
89.02444	8.8
93.03478	3.3
95.01383	2.7
96.96028	21.9
98.95612	4.2
99.04553	2.1
101.02454	16.6
108.02183	1.7
113.02451	10.2
119.03534	3.5
119.05037	2.7
121.03082	1.9
123.04544	1.8
123.08128	2.2
125.02515	1.9
125.06058	1.9
134.03801	2.6
137.02454	2.7
137.42909	1.6
138.06870	10.1
143.05037	4.0
145.02945	2.5
147.04584	1.8
150.03320	2.5
151.07654	7.1
152.08472	8.4
153.09232	45.5
154.09540	15.1
155.09779	2.8
161.04646	9.0
161.05788	2.1
163.04022	2.9
165.05522	3.0
165.09207	2.2
167.03491	4.1
173.04604	2.5
189.05635	2.4
189.12889	4.1
191.05656	9.0
193.05296	2.3
203.05563	2.1
205.12387	11.4
206.12675	5.8
207.13991	2.8
223.13420	13.0
224.13707	5.4
226.06381	41.7
227.06749	3.8
241.08727	100.0
242.09137	7.9
251.07149	9.4
252.07849	5.0
265.08673	2.2
279.06638	4.1
280.07437	7.8
295.09686	6.5
311.09146	1.9
339.08878	8.9
367.17761	10.9
368.18015	7.2
369.18314	7.1
385.18573	3.0
386.19153	2.6
387.14056	1.6
387.20291	8.9
395.41223	1.9
423.53616	2.2
427.19812	12.8
428.20090	9.9
429.21057	33.1
430.21207	2.4
431.13449	13.9
457.11609	5.0
463.48260	2.0
632.75995	1.8
808.16608	2.2
905.26660	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	907.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09623	0.6
67.01895	12.4
69.03465	3.2
71.01384	9.8
71.05032	0.8
71.54450	1.0
73.02952	2.3
73.48575	0.7
81.03474	2.6
82.11062	0.5
83.01381	1.2
83.05030	1.8
85.02951	6.3
86.79409	0.7
87.00885	15.1
89.02445	1.0
93.03467	86.4
94.03807	1.9
96.96030	3.9
98.95601	0.6
99.00900	1.8
99.04544	1.8
101.02438	3.9
108.02179	0.6
109.02985	2.3
111.00923	0.6
111.04530	12.3
113.02458	3.5
119.05077	0.7
121.02983	0.7
124.01720	0.7
125.02481	1.0
127.04012	1.7
129.02036	1.6
132.02196	1.6
133.02940	2.1
134.03741	9.0
135.04547	15.2
137.02480	1.8
137.09705	2.7
139.00436	0.9
139.11319	2.5
143.03488	1.1
150.03264	1.1
151.04044	1.7
153.01915	0.8
155.03525	2.5
160.01700	3.9
161.02486	2.0
161.04541	2.4
162.03227	5.3
173.04556	42.0
174.04881	1.2
177.01970	0.7
179.03484	4.8
191.05627	53.7
192.05978	2.3
203.05597	0.9
209.11827	0.8
209.15459	8.0
257.08197	4.3
275.09280	7.5
285.04086	3.1
307.08429	1.5
308.09113	2.3
351.07239	2.9
352.07895	4.9
353.19629	2.1
363.90176	0.6
371.20648	5.3
377.18945	0.6
413.21826	13.0
414.22034	1.1
449.14548	100.0
450.14905	11.6
475.13681	0.7
595.84613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	11.9
69.03472	3.0
71.01388	8.4
71.05016	0.6
71.54788	0.7
73.02950	1.7
79.95751	0.4
81.03483	2.1
83.05031	1.6
83.08147	0.4
85.02950	3.4
87.00886	14.1
88.98818	0.5
89.02454	1.0
93.03468	82.9
94.03783	2.1
95.01385	0.5
96.96022	2.1
97.02964	0.6
99.00890	1.7
99.04554	1.6
101.02442	3.1
109.02960	1.3
111.04537	10.5
113.02468	3.2
115.04028	0.6
119.03503	0.4
119.04997	0.5
125.02477	0.6
129.01974	1.8
133.02943	1.0
134.03767	7.6
135.04544	4.9
137.02434	1.3
137.09729	2.0
139.11322	2.8
143.03505	1.4
145.02956	0.9
149.02438	0.6
151.04018	1.0
155.03545	2.7
161.02480	2.4
161.04591	1.6
162.03238	6.4
162.04497	0.8
163.04021	0.5
173.04562	37.0
174.04916	1.4
177.01776	0.4
179.03500	1.8
191.05618	6.4
193.05029	0.5
203.05627	0.9
209.11928	0.8
209.15495	6.5
213.20695	0.4
215.05640	0.6
225.23627	0.4
235.07631	0.9
251.10765	2.9
275.09302	6.5
276.09299	0.4
283.02597	0.9
284.03247	1.0
285.04095	2.1
295.09845	2.6
307.08197	0.7
308.09070	1.1
351.07355	0.8
352.08096	2.7
356.24658	0.5
371.20706	4.8
413.21866	8.9
414.22296	0.8
433.09268	0.7
449.14563	100.0
450.14941	10.1
457.15103	1.6
618.98157	0.5
639.91827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09623	0.6
67.01895	12.4
69.03465	3.2
71.01384	9.8
71.05032	0.8
71.54450	1.0
73.02952	2.3
73.48575	0.7
81.03474	2.6
82.11062	0.5
83.01381	1.2
83.05030	1.8
85.02951	6.3
86.79409	0.7
87.00885	15.1
89.02445	1.0
93.03467	86.4
94.03807	1.9
96.96030	3.9
98.95601	0.6
99.00900	1.8
99.04544	1.8
101.02438	3.9
108.02179	0.6
109.02985	2.3
111.00923	0.6
111.04530	12.3
113.02458	3.5
119.05077	0.7
121.02983	0.7
124.01720	0.7
125.02481	1.0
127.04012	1.7
129.02036	1.6
132.02196	1.6
133.02940	2.1
134.03741	9.0
135.04547	15.2
137.02480	1.8
137.09705	2.7
139.00436	0.9
139.11319	2.5
143.03488	1.1
150.03264	1.1
151.04044	1.7
153.01915	0.8
155.03525	2.5
160.01700	3.9
161.02486	2.0
161.04541	2.4
162.03227	5.3
173.04556	42.0
174.04881	1.2
177.01970	0.7
179.03484	4.8
191.05627	53.7
192.05978	2.3
203.05597	0.9
209.11827	0.8
209.15459	8.0
257.08197	4.3
275.09280	7.5
285.04086	3.1
307.08429	1.5
308.09113	2.3
351.07239	2.9
352.07895	4.9
353.19629	2.1
363.90176	0.6
371.20648	5.3
377.18945	0.6
413.21826	13.0
414.22034	1.1
449.14548	100.0
450.14905	11.6
475.13681	0.7
595.84613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92677	0.3
67.01895	1.2
68.10366	0.2
69.03476	0.3
69.79828	1.2
71.01395	1.3
78.63244	0.2
81.03493	0.5
83.01395	0.5
85.02956	6.7
86.44022	0.3
87.00891	2.5
92.30001	0.3
93.03468	7.3
93.04037	0.5
94.03828	0.3
96.96021	1.0
98.20659	0.4
101.02481	0.4
103.60532	0.2
109.02960	0.5
111.04543	1.7
113.02480	0.3
116.66011	0.3
120.01189	0.3
127.04026	1.7
133.02960	1.3
134.03735	0.2
135.04547	7.2
137.02507	0.4
144.63033	0.2
155.03638	0.5
161.02461	4.8
171.03027	0.8
173.04527	2.6
179.03510	6.2
188.40753	0.2
191.05630	100.0
192.05968	3.8
223.66930	0.3
241.08783	0.3
271.06128	0.3
284.03336	1.1
285.04031	2.0
301.03583	0.3
335.07938	0.3
353.08786	8.7
354.09195	0.7
363.17938	0.3
379.06668	0.3
447.09473	2.5
448.09204	0.5
463.08875	0.5
465.82574	0.3
497.13037	0.3
515.14124	2.1
557.15100	2.0
599.16174	0.4
911.28339	10.7
912.28937	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	911.393
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	4.1
69.25413	4.6
69.25824	1.0
71.01390	78.5
72.01723	0.7
72.99338	3.0
73.02955	97.3
74.03294	1.1
75.00873	1.1
79.38696	0.6
79.83506	0.6
81.03487	1.0
83.01396	31.1
84.01734	1.0
85.02954	13.6
87.00885	2.6
89.02453	24.7
95.01402	4.9
97.02957	2.3
99.00891	1.7
101.02454	100.0
102.02790	1.3
113.02463	43.4
114.02868	0.9
119.03521	13.8
121.06637	2.7
125.02457	3.6
131.03520	10.5
137.09741	22.5
138.10085	1.0
143.03510	13.7
144.17163	0.6
147.02998	1.8
149.04572	25.1
149.09778	1.1
155.03535	3.4
161.04576	46.7
162.04948	1.1
173.04480	0.7
173.09634	0.8
175.01430	0.5
179.05595	2.1
189.12857	8.2
190.13153	0.8
191.05576	1.2
203.05566	6.4
207.13913	1.5
221.06677	17.4
225.62106	0.6
342.13116	0.6
345.65656	0.7
351.18176	1.0
369.19189	1.4
411.20190	5.0
440.05975	0.6
471.42972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	2.1
69.83046	0.6
71.01391	70.1
71.30964	1.2
72.01729	1.7
72.99319	2.6
73.02955	100.0
74.03277	1.0
75.00874	1.1
83.01398	25.9
83.05025	0.9
85.02966	10.8
87.00895	1.5
89.02462	14.3
91.88893	0.7
93.03468	2.2
95.01389	3.4
96.96024	5.3
97.02956	2.0
99.00908	1.7
99.04539	1.5
101.02454	81.4
102.02811	1.1
113.02466	29.0
114.02785	0.7
119.03526	8.2
125.02475	3.1
131.03519	7.9
143.03506	9.2
149.04573	15.5
155.03499	2.4
161.04573	29.2
173.04593	1.4
179.05548	0.9
191.05650	9.1
203.05624	6.2
220.09035	0.9
221.06647	8.7
248.08372	1.6
249.09097	1.2
270.90717	0.7
285.04007	1.5
371.20831	3.0
413.21902	5.3
447.17786	0.8
455.13525	1.4
456.13983	1.9
457.13965	0.8
766.58942	0.8
781.35089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	4.5
71.01382	49.0
71.55094	3.0
72.99319	5.2
73.02955	19.2
79.95765	2.3
81.03492	3.5
83.01407	13.7
85.02952	29.2
87.00883	6.8
89.02443	22.0
93.03468	27.8
95.01399	4.0
96.96026	28.4
99.00877	3.6
101.02448	36.6
101.45195	2.6
109.02946	4.0
111.04535	3.1
113.02452	28.8
119.03508	10.5
119.22025	2.4
123.04507	2.1
127.04026	3.2
131.03464	2.6
133.02956	5.3
134.03778	3.3
135.04527	10.5
137.02469	4.3
142.21625	2.2
143.03506	4.0
149.04547	5.2
149.23871	2.3
151.00436	2.6
152.03552	8.4
155.03645	3.2
161.02454	5.1
161.04544	12.4
173.04546	19.0
174.03232	2.3
179.03484	5.6
179.05611	3.9
191.05635	100.0
192.05969	6.6
235.05682	2.2
255.06729	3.7
284.03333	3.2
285.04031	32.2
286.04568	3.2
288.11865	2.4
335.07684	4.7
353.08881	3.3
371.20862	17.7
413.21802	45.6
414.22269	5.0
415.19119	3.5
437.09177	9.2
447.09183	23.9
448.09567	3.6
449.14279	4.2
467.15530	8.8
705.22089	8.7
894.21277	2.4
897.27948	7.5
915.29553	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	915.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03516	5.3
70.99853	5.4
71.01378	29.8
71.53830	7.7
73.02974	5.6
85.02972	11.2
86.96843	5.0
87.00897	7.2
88.98829	8.9
89.02458	27.2
96.95992	4.9
101.02486	25.9
109.06616	11.5
113.02483	14.0
119.03489	9.4
125.09741	6.2
126.68600	6.0
146.30220	4.6
163.11272	5.0
171.10318	17.8
181.08678	6.2
191.05606	16.2
199.09763	31.4
207.10281	36.3
209.11993	5.8
225.11281	31.4
235.08299	10.5
255.23347	71.0
256.23660	7.6
277.21567	6.5
379.12598	14.2
397.13593	67.7
415.14838	11.3
463.13193	6.0
579.22577	7.5
605.24457	9.7
623.24274	5.0
635.36670	5.7
653.37610	18.6
680.37378	5.2
835.47070	100.0
836.47522	21.4
861.48431	55.9
862.48785	15.6
879.49225	6.3
915.47131	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	919.327
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82075	1.0
70.82415	0.5
71.01382	2.9
73.02944	1.2
79.95723	0.8
84.36748	0.4
85.02972	1.1
87.00867	0.7
88.52695	0.4
93.03483	1.2
93.85765	0.4
96.96018	6.6
101.02468	0.9
113.02460	0.9
133.02893	0.5
134.06143	2.0
135.04553	0.9
152.07217	0.5
155.04442	0.4
158.02550	1.0
158.63960	0.4
173.04550	1.2
189.12389	0.5
190.05138	3.2
191.05643	4.5
192.06711	0.7
198.09308	2.7
202.08688	0.6
203.26295	0.5
207.10233	0.5
209.11836	2.0
212.05873	1.3
214.08798	0.6
224.09669	0.5
226.07480	1.3
227.12891	0.8
228.07158	0.5
228.09021	2.9
229.94055	0.5
239.11925	11.0
240.09116	0.6
240.12099	1.0
241.09851	71.3
242.10187	3.4
243.11485	1.7
255.11420	1.5
256.12204	41.8
257.12476	2.1
285.03983	0.7
291.07892	0.8
294.30139	0.5
300.11188	9.8
301.11545	1.1
305.09442	0.7
315.13547	100.0
316.13858	7.1
323.10297	1.3
337.11945	4.0
338.12659	1.9
370.76389	0.4
397.13583	0.5
517.19061	0.8
559.19421	14.8
560.20007	6.0
767.29449	1.7
799.31958	0.8
875.33698	0.6
933.76233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.448
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71707	4.7
70.08338	23.7
71.01402	21.2
73.48219	4.7
87.00891	10.6
88.98821	14.2
89.02441	13.1
96.96027	16.5
98.19817	5.7
99.00900	10.6
101.02445	12.7
113.02481	11.2
129.69016	4.7
158.72490	5.8
171.10234	5.4
181.12315	13.2
201.11314	12.5
207.10234	35.6
209.11900	13.6
225.11349	56.1
243.12296	17.4
255.23189	11.5
277.21777	35.3
278.22058	8.9
397.13507	21.2
491.48648	5.6
605.24414	17.9
623.25787	24.8
883.47205	100.0
884.47241	21.9
919.44617	71.0
920.45557	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	17.4
71.14191	3.0
72.99301	1.6
73.02965	2.5
80.96513	2.4
83.01395	2.0
85.02956	4.7
87.00908	3.1
89.02456	10.1
96.96013	14.9
97.02940	3.4
98.20216	3.2
99.00874	3.1
101.02445	11.2
113.02470	4.8
119.03517	2.7
125.02455	2.4
125.09752	4.3
127.11288	3.2
138.97322	1.5
139.65903	1.7
155.10776	2.9
159.42998	1.5
171.10223	4.2
181.12399	3.2
199.13409	4.5
201.11339	41.2
207.10272	6.9
225.11317	11.0
235.08199	2.3
243.12427	6.0
275.19803	2.2
277.21732	40.4
278.22415	1.8
397.13492	7.0
415.14706	2.5
761.54065	1.7
819.68335	2.0
883.46594	7.8
901.48578	7.9
919.49133	100.0
920.49597	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	919.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	2.0
69.17390	2.1
69.17797	6.9
71.01387	100.0
72.01729	1.1
72.99313	2.0
73.02937	4.1
75.00882	1.1
77.58002	0.9
79.95814	0.8
80.25683	0.8
80.96540	1.2
81.03481	2.2
83.01397	3.5
83.05038	1.7
85.02951	4.9
87.00887	5.7
89.02453	18.1
95.01397	1.6
96.96021	5.4
97.02988	4.3
98.20672	1.8
99.00859	4.1
101.02450	15.3
109.06606	9.3
110.03715	1.0
113.02456	10.5
119.03509	4.1
121.03011	1.0
121.06599	1.0
125.02464	8.5
125.09724	3.6
127.11304	3.6
135.08183	1.8
137.09683	1.4
143.03510	3.0
153.09256	1.4
155.10783	1.6
159.83153	0.8
161.04565	3.6
161.75134	0.9
163.11307	5.2
171.10284	53.9
172.10580	1.2
179.05626	6.7
181.08743	1.4
181.12364	2.5
190.09152	0.8
199.09756	16.8
199.13507	1.0
201.11339	25.2
207.10272	26.4
208.10689	1.6
221.06648	2.6
225.11339	18.7
226.11714	1.2
235.08228	4.1
243.12331	1.9
253.09410	1.1
265.14780	6.4
277.21735	57.3
278.22107	3.7
287.07773	1.9
305.08893	1.9
379.12479	4.2
390.62619	1.0
397.13522	32.8
398.13907	2.6
415.14563	8.3
416.14963	0.9
432.71387	1.0
597.24127	2.3
605.24463	2.3
623.25696	5.6
857.45770	2.8
883.46930	11.8
884.47186	4.0
901.48181	2.6
919.49030	16.5
920.49451	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	921.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27194	0.8
69.27608	4.0
71.01378	1.9
73.02917	0.5
78.48792	0.5
81.03473	1.3
83.01384	1.0
85.02953	1.1
88.12830	0.6
93.03469	1.1
96.96003	0.9
97.02962	0.5
99.03916	1.0
99.04529	13.3
99.05178	0.7
101.02451	9.5
107.01397	1.4
110.00117	0.9
111.00868	2.3
113.02467	2.1
117.73199	0.5
125.02457	16.8
133.02980	1.7
135.04536	0.5
137.99564	2.0
139.00375	17.4
140.01125	1.3
143.03487	1.4
149.02393	1.0
151.00381	3.5
152.01129	1.5
153.01949	25.5
154.02734	25.5
155.03465	2.3
161.04535	0.9
167.03517	3.7
168.04289	17.4
169.05074	33.1
170.05405	1.4
175.03987	1.1
175.32968	0.6
183.04404	0.7
185.02394	0.6
191.05672	1.1
192.73099	0.5
199.03987	0.8
203.05696	0.6
227.03473	0.7
241.05022	0.9
255.03003	63.5
256.03528	6.6
268.03793	0.8
269.04465	0.5
283.02499	63.1
284.03232	36.9
284.06488	1.2
285.04056	89.9
286.04437	6.0
296.03342	2.9
297.04074	1.2
301.14798	0.5
305.08807	3.2
313.03619	1.3
325.03757	0.5
327.05072	1.3
331.10345	14.6
373.11423	12.5
374.11923	1.2
413.14569	4.5
445.07794	3.1
446.08578	13.3
447.09338	100.0
448.09671	9.8
458.12054	0.6
463.25485	0.7
475.14587	45.6
476.14774	4.8
489.10455	1.0
689.67590	0.7
759.18127	1.3
844.05780	0.7
875.75049	0.6
891.03143	0.5
921.23077	3.9
922.23444	1.5
927.26978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	0.4
83.01385	0.4
84.82130	0.2
96.96003	0.3
98.20639	0.7
107.01372	1.0
109.02946	0.3
116.21909	0.2
121.02988	0.2
123.08179	0.3
133.02971	2.4
134.03751	0.5
148.01773	0.2
149.02487	0.9
151.00372	2.1
163.11301	0.3
175.04065	1.0
183.04550	0.2
185.06126	0.3
189.12872	0.4
191.05585	0.8
197.06085	0.2
199.03981	1.3
200.04694	0.2
201.01910	0.3
207.13901	0.4
211.03967	0.5
213.05568	0.2
215.03484	0.2
217.05026	0.6
222.05066	0.2
227.03479	0.5
229.31520	0.3
239.03487	0.2
241.05078	0.3
243.02913	0.3
243.07454	0.2
255.03004	0.3
256.03793	2.3
257.04507	0.2
267.03070	0.2
269.04507	0.3
283.02386	0.3
284.03284	40.2
285.04053	90.9
286.04413	5.8
297.04059	0.3
327.05109	1.1
429.21292	0.6
447.09348	100.0
448.09680	9.8
448.15961	0.4
601.11066	0.2
635.40955	0.2
758.93402	0.2
837.08813	0.2
902.61920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	5.0
69.03456	1.7
69.20679	3.3
69.21101	10.2
71.01382	19.5
73.02946	11.8
79.95731	1.9
80.05035	1.5
81.03462	2.8
83.01388	3.5
83.04997	1.6
85.02961	4.8
87.00884	7.2
89.02451	6.4
93.03472	46.9
96.96017	14.2
99.00896	1.8
99.04560	1.5
101.02446	11.2
106.06630	4.7
109.02943	1.7
111.04510	5.5
113.02466	6.5
119.03495	1.8
120.04598	1.7
122.06138	8.5
125.02407	1.7
128.47913	1.4
129.01918	1.9
132.04573	2.3
134.03819	2.7
134.06139	28.4
135.04510	4.5
137.02463	2.1
142.91167	1.6
151.00615	1.8
152.07185	5.5
155.03552	2.2
161.02422	2.4
161.82089	1.7
173.04573	26.0
183.06709	2.3
188.07184	1.8
190.05072	1.9
191.05649	14.2
209.11905	3.4
213.10312	7.9
223.08760	1.8
225.10344	3.8
229.04753	1.5
237.10461	2.1
239.11893	5.6
241.13510	5.8
249.10437	2.4
250.07481	2.7
251.08177	4.2
251.11952	4.9
251.62863	1.4
252.08987	3.6
253.09782	3.5
263.08154	4.2
264.08984	2.8
265.09723	5.1
266.10489	1.9
267.11346	5.2
275.09225	2.4
277.09860	6.5
278.06808	2.4
278.10599	5.1
279.07721	5.8
279.11365	8.0
285.04041	1.6
285.12552	9.0
292.08569	1.9
293.09448	12.3
294.10010	4.4
295.10959	6.7
295.14026	1.5
296.11426	2.5
305.09421	2.5
306.10031	2.0
307.10901	6.0
314.12527	2.6
321.08612	3.6
339.09964	3.5
343.13431	2.1
351.09698	3.3
357.14493	1.8
358.15378	3.6
374.06119	6.5
383.12207	1.7
384.13300	2.1
385.13974	2.4
396.13269	1.8
397.13837	2.9
400.16556	7.8
412.16425	3.2
425.17783	1.9
440.16220	1.9
449.14560	20.4
449.20517	2.0
450.14865	4.8
458.17303	2.6
468.15552	2.3
471.13181	2.1
487.18069	1.5
662.23486	3.2
680.25061	3.2
690.23010	2.4
691.23456	4.1
708.24188	33.0
709.24127	6.0
722.26050	5.7
723.26703	2.9
740.26147	2.1
754.28290	14.2
755.28723	3.5
769.30719	13.1
813.29962	65.9
813.45239	3.2
814.30432	13.5
819.45862	1.9
845.32526	100.0
846.32782	22.9
877.34784	9.4
921.27649	13.6
922.28058	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	921.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68024	3.8
70.68364	2.4
71.01386	35.8
73.02974	1.8
81.03439	2.4
83.05050	3.1
84.02171	1.5
85.02960	3.4
87.00887	2.0
89.02451	14.5
96.36335	1.6
96.96014	4.5
97.02943	3.2
99.00884	2.1
101.02458	16.0
113.02451	8.8
116.92870	6.9
119.03519	3.9
125.02435	6.7
135.58391	1.5
137.68787	1.4
143.03535	2.6
160.89113	1.6
161.04546	3.9
163.11378	3.8
171.10284	12.3
179.05605	5.5
189.99196	2.0
191.05566	2.1
199.09755	2.0
201.11357	3.9
207.10252	4.4
209.11841	100.0
210.12221	5.3
221.06622	2.3
225.11346	4.0
227.12909	29.6
235.08238	6.9
277.21750	55.5
278.22156	4.5
279.23282	11.8
287.07596	3.7
323.09787	2.3
379.12457	14.5
397.08310	3.8
397.13544	78.3
398.13901	6.1
414.56076	2.0
415.14758	19.0
459.84036	1.8
589.25183	5.1
607.26337	5.4
675.35925	5.3
867.47424	2.3
921.46381	29.6
922.47083	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	921.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.6
71.01394	16.5
71.16272	3.8
72.58084	1.7
72.99284	1.6
73.02933	2.6
81.95486	1.6
85.02952	5.5
87.00877	5.2
89.02462	9.8
95.01351	1.5
96.96017	5.1
97.02951	10.6
97.06571	3.5
99.00886	19.8
100.74200	1.5
101.02459	11.4
113.02441	5.7
116.92854	1.8
119.03548	1.9
123.08174	2.2
125.02466	4.9
125.09720	5.4
142.02702	2.0
143.03345	1.8
163.11276	9.5
181.12346	19.7
199.13406	2.6
207.08372	3.0
207.10268	49.4
208.10559	1.9
225.11333	68.1
226.11588	2.6
235.08228	2.7
243.12416	22.4
244.12755	1.8
255.23302	62.6
256.23633	3.9
263.07791	3.0
313.19318	2.7
367.41641	1.9
397.13528	12.0
605.24567	16.8
623.25745	6.0
861.48584	100.0
862.49158	21.4
883.16461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03973	0.5
67.01897	11.8
68.02197	0.7
68.58414	0.6
69.03451	4.4
71.01390	25.5
72.99319	1.2
73.02955	27.3
81.03456	3.3
82.01213	0.5
83.01398	8.6
83.05024	1.6
85.02953	5.3
87.00884	18.0
89.02457	5.5
93.03468	100.0
94.03813	2.3
95.01399	1.6
96.96017	2.4
97.02917	0.7
99.00887	2.3
99.04520	2.3
101.02454	33.0
108.31180	0.6
109.02954	1.1
111.04535	13.1
113.02466	15.6
115.04022	1.1
119.03549	5.0
125.02455	2.1
129.01981	1.6
131.03517	3.5
133.02977	1.1
134.03766	11.0
135.04544	5.2
137.02438	2.9
137.09758	7.0
143.03488	5.1
149.04564	8.7
149.09732	0.6
155.03546	5.4
161.04567	12.7
173.04562	51.6
174.04884	0.9
177.01927	1.0
178.02708	4.7
179.03465	2.7
179.05644	0.6
189.12877	1.9
191.05649	6.8
192.05925	0.7
203.05602	2.7
221.06636	4.1
229.08749	1.2
237.36932	0.6
268.57535	0.7
275.09381	1.7
281.58560	0.7
293.10324	3.3
352.08636	0.7
356.13580	0.6
411.20370	2.0
449.14545	39.0
450.14905	4.0
465.27496	0.7
467.15610	83.5
468.15921	8.0
678.76422	0.6
906.15033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60092	1.3
71.01390	15.1
72.99333	1.7
81.03471	2.5
83.01361	1.5
83.05031	3.7
85.02977	4.0
87.00874	3.3
89.02458	12.5
96.96012	3.4
97.02940	2.8
98.20093	7.4
98.20784	2.4
99.00918	1.5
101.02468	11.5
113.02459	7.5
119.03492	2.8
125.02463	5.2
143.03566	2.0
161.04535	2.5
163.11285	4.0
179.05627	4.1
209.11841	100.0
210.12231	3.3
226.11482	2.0
227.05580	1.6
227.12910	6.9
229.00841	2.1
235.08170	4.4
255.23318	58.3
256.23572	3.7
287.07788	2.8
305.08728	2.5
379.12433	13.3
397.13507	41.1
398.13794	2.7
415.14505	7.0
589.25122	2.6
607.26172	3.1
635.36316	2.2
653.37433	4.8
863.49146	3.0
915.16675	1.8
929.77283	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	923.523
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	20.8
71.53935	6.5
72.16290	4.8
83.05054	6.3
84.58660	4.6
89.02429	16.0
96.96024	25.5
98.95557	8.1
101.02442	13.6
106.00448	4.8
155.20366	4.9
161.63911	4.5
193.71822	5.0
197.87587	4.6
209.11852	100.0
210.12048	6.4
219.90631	4.9
227.12909	18.3
235.08122	6.5
255.23343	52.8
256.23697	6.4
379.12366	12.7
397.13528	56.5
415.14618	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	925.54
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24531	3.9
69.24959	2.8
71.01386	26.1
72.99287	0.9
73.02956	12.9
81.03465	3.4
83.01386	4.1
83.05036	9.8
85.02949	8.2
87.00885	1.4
89.02454	9.4
93.03435	1.2
95.01418	1.0
96.96017	2.5
97.02927	1.1
99.00884	2.3
101.02456	16.5
108.39861	0.7
113.02465	10.6
117.68732	0.8
119.03533	3.4
120.15112	0.6
121.81154	0.6
124.34039	0.6
125.02442	1.3
131.03513	0.8
137.09721	3.2
143.03532	1.4
149.04515	1.0
155.03433	0.8
159.02951	0.7
161.04561	8.3
164.16637	0.7
173.04561	1.0
173.09673	1.2
189.12872	12.3
190.13260	1.1
191.05635	6.7
192.06030	0.8
203.05612	11.9
207.13771	5.2
221.06715	1.6
224.17535	0.9
225.14661	1.7
225.16109	5.0
333.22961	2.3
351.18225	1.9
367.27103	1.4
369.19208	7.8
370.19601	0.9
387.20306	17.6
388.20471	1.6
429.21335	32.3
430.21646	3.4
433.31805	5.2
449.14615	0.9
450.15009	1.1
451.32935	100.0
452.33191	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	929.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62003	0.3
67.01901	0.6
69.03426	0.3
70.34747	1.1
71.01379	0.8
73.02914	0.3
85.02959	7.6
86.03311	0.4
87.00893	2.1
87.16788	0.3
93.03474	6.0
96.95997	1.4
98.19998	0.4
107.01431	0.3
109.02959	1.9
111.04542	1.6
122.03762	0.3
123.04568	0.3
127.04022	2.3
133.02974	0.8
135.04507	0.6
137.02495	0.7
149.02539	0.5
151.00374	1.2
152.01216	0.3
171.03065	0.5
173.04599	4.1
173.06029	0.5
182.15228	0.3
187.04080	1.0
187.07680	1.9
191.05627	100.0
192.05956	3.4
199.03993	0.5
200.04715	0.3
201.05641	0.4
202.06354	2.0
203.07037	0.6
213.09268	1.6
215.07243	0.7
231.10336	3.0
239.06821	0.3
245.12003	0.5
247.09735	0.6
256.03845	0.7
257.08411	0.5
267.76819	0.3
275.09232	1.5
284.00909	0.3
284.03278	12.6
285.04068	26.3
286.04425	2.3
287.05066	0.3
289.10858	1.5
307.11829	0.7
314.49457	0.4
324.99741	0.4
394.08096	0.3
447.09344	29.4
448.09610	3.3
449.14636	22.4
450.14999	2.4
479.21976	0.4
481.17184	15.6
482.17838	1.4
922.95660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	0.6
67.01899	6.6
69.03459	1.9
71.01398	2.8
72.99289	0.4
73.02959	0.5
81.03472	1.6
83.05035	1.3
85.02956	8.8
87.00346	0.6
87.00883	11.2
93.03467	44.6
94.03790	0.9
95.01357	0.4
96.96070	0.9
99.00925	0.7
99.04549	1.1
105.07390	0.3
109.02969	1.2
109.28490	0.4
111.00838	0.4
111.04529	5.9
113.02461	0.7
119.04996	0.9
127.04006	2.1
127.91014	0.4
129.01949	0.7
135.04518	0.6
137.02455	1.3
143.03503	0.5
145.02989	0.6
154.02713	0.5
155.03511	2.0
155.04842	0.6
158.07364	0.8
159.04517	0.9
163.03932	1.0
171.03052	1.2
171.04428	0.5
172.05241	0.7
173.04572	22.7
173.06000	1.2
174.04881	1.1
183.04480	0.5
186.06853	2.6
187.07617	1.7
189.09245	0.6
191.05623	100.0
192.06012	2.9
199.03975	0.6
200.04807	0.8
201.05528	0.9
201.09256	1.0
211.07703	1.0
212.08441	1.1
214.06378	3.7
215.07149	7.2
216.07588	0.6
227.03435	0.5
229.08781	2.6
230.09453	1.2
233.06703	8.4
234.07120	0.5
255.06609	1.3
256.07397	5.8
257.07739	0.6
273.07761	0.5
311.12851	1.1
342.98587	0.4
353.13934	2.8
371.15002	4.3
372.15137	0.5
383.11395	1.4
419.13623	0.5
447.13123	0.7
449.14597	0.6
527.18756	0.6
544.19257	0.5
545.20319	48.4
546.20673	6.5
737.25439	0.5
962.01068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	8.2
71.52618	13.4
88.42812	5.8
89.02448	8.8
93.25034	5.7
101.02449	9.1
104.28348	7.1
113.02463	8.5
149.23076	6.7
151.80782	6.6
163.62535	6.4
176.85522	6.7
209.11862	100.0
227.12895	25.0
255.23297	53.5
379.12430	26.4
397.13577	70.3
415.14670	12.9
589.25031	17.5
635.36499	13.2
653.37885	13.9
845.48785	11.8
931.50232	66.9
932.50598	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	933.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81811	0.2
69.32614	1.4
79.95748	4.9
79.96212	0.2
80.96529	1.2
93.03466	0.3
93.45091	0.2
94.98106	0.3
95.05048	0.2
95.94630	0.3
95.95251	7.7
96.96022	100.0
97.95975	0.3
105.03479	0.4
110.73468	0.2
110.97616	0.3
113.63712	0.1
122.97602	1.4
133.02960	0.2
136.01692	0.3
150.03253	0.9
151.04039	1.9
161.02464	9.2
162.03096	0.6
163.04021	0.5
165.05544	0.9
176.04800	5.9
177.05453	0.5
179.03514	17.0
180.03885	0.7
191.05602	1.2
191.07169	2.4
193.05029	0.2
194.05855	18.1
195.06528	0.9
209.08209	12.3
210.08510	0.5
245.54814	0.2
258.02042	0.6
259.02634	0.3
275.02350	3.5
285.04129	0.3
447.09180	0.4
449.09729	0.2
485.11267	69.9
486.11630	6.7
572.32397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	58.3
73.02954	5.0
83.01400	3.8
85.02965	7.5
87.00897	9.9
89.02449	21.5
95.01395	4.7
96.96033	11.2
97.02921	7.7
101.02454	24.3
109.06616	6.9
113.02430	7.4
119.03499	6.8
124.89972	3.9
125.02425	7.6
125.09719	5.2
141.01823	4.4
143.03519	5.2
161.04494	8.2
171.10315	38.4
181.08786	4.4
199.09787	29.4
199.13376	4.3
201.11374	41.5
207.10312	27.9
209.11827	5.7
221.06615	4.6
223.09775	4.2
225.11349	33.8
229.14633	4.1
235.08289	7.1
255.23309	100.0
256.23602	9.0
272.10379	3.8
323.09747	5.2
379.12543	8.4
397.13568	75.4
398.13904	5.7
415.14474	17.3
579.22571	6.5
623.25757	4.8
640.41095	4.1
653.37164	5.1
835.46918	23.0
836.45789	4.9
843.45441	8.8
861.48950	31.3
862.48755	7.0
879.49243	15.2
897.51190	32.5
898.50720	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	933.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	60.8
72.99313	4.9
73.02982	5.2
75.00920	4.4
80.96510	3.9
85.02966	3.1
87.00893	10.4
89.02454	24.8
96.96024	7.7
97.02908	7.0
99.00940	4.8
101.02466	24.6
109.06708	3.4
113.02457	9.6
119.03477	7.7
122.76047	3.1
124.19473	2.7
125.02483	8.1
125.09728	6.7
128.37921	3.1
143.03471	5.3
145.52016	3.0
155.10756	6.3
161.04628	3.6
163.11354	5.1
171.10237	30.2
179.05641	10.1
181.12332	7.0
199.09766	20.8
199.13412	5.3
201.11348	45.3
207.10333	19.9
209.11852	7.1
221.06622	3.8
223.09900	4.3
225.11400	30.5
235.08260	10.4
243.12402	5.1
255.23318	100.0
256.23737	8.9
279.23361	6.1
323.09909	4.4
361.11298	3.7
379.12494	11.2
397.13553	78.9
398.13968	5.4
402.93805	3.3
415.14487	19.5
578.15546	3.7
605.23639	5.0
623.25323	4.9
653.37543	7.3
807.47375	5.1
835.47668	17.4
843.45251	10.7
861.48669	32.2
879.49316	11.7
897.50696	47.9
898.50885	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	937.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88566	0.4
79.95744	5.8
80.96516	1.4
86.02359	0.2
94.98080	0.7
95.95247	8.0
96.96023	100.0
98.95531	0.3
105.03465	0.3
110.97585	0.3
116.28685	0.2
122.97591	2.6
133.02960	0.3
134.57591	0.2
135.04529	0.2
136.01721	0.3
139.38922	0.2
150.03253	1.8
151.04027	2.1
161.02454	9.6
162.03253	1.2
163.04024	0.4
165.05563	1.3
172.64125	0.2
176.04800	6.7
177.05455	0.6
179.03511	17.6
180.03949	0.6
191.05647	0.3
191.07173	2.8
194.05853	19.7
195.06480	1.3
209.08203	13.9
210.08585	0.7
258.01968	0.5
259.02856	0.2
275.02344	5.5
282.08481	0.2
300.02707	0.2
352.78613	0.2
387.20004	0.2
463.08884	0.6
485.11279	69.2
486.11652	6.5
515.12610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	28.6
71.53651	5.6
73.02949	7.6
81.20540	3.3
85.02954	4.6
87.00901	4.2
89.02454	18.7
96.96018	13.7
97.02935	7.3
101.02477	17.8
109.06574	8.0
113.02438	8.8
119.03502	4.4
125.02458	9.2
155.10793	3.6
161.04625	4.3
163.11359	3.9
171.10298	16.0
179.05566	10.6
181.08685	4.5
183.53195	3.1
191.05554	5.6
199.09779	39.5
201.11418	8.4
207.10287	40.1
214.15402	3.4
225.11328	38.0
235.08229	6.3
255.58800	3.3
277.21722	58.0
278.22025	3.6
379.12341	11.7
397.13559	48.6
415.14450	7.7
526.22583	3.5
533.14423	3.8
579.23193	7.1
596.67963	3.5
597.23639	11.8
605.24414	11.9
623.25360	10.8
675.35400	3.8
735.54608	3.5
839.45135	6.0
857.45483	100.0
858.45081	20.4
883.46985	64.2
884.47485	10.4
901.48041	5.8
937.45416	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	939.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	1.0
67.01904	0.2
69.51660	0.6
69.52085	0.5
71.01382	0.6
73.02953	0.3
83.01387	0.2
85.02956	0.3
89.00311	0.1
89.02478	0.1
89.36825	0.1
93.03467	0.6
96.96011	0.3
97.02950	0.6
101.02444	0.4
102.08627	0.1
107.01382	0.5
113.02452	0.3
121.02948	0.4
125.02455	0.5
132.02159	0.8
133.02965	22.3
134.03363	0.6
135.04567	0.3
137.02464	0.2
138.01962	0.2
148.01669	0.6
149.03528	0.2
149.99573	0.4
151.00366	1.3
161.04547	0.2
163.04042	1.0
165.01935	2.7
173.04543	0.3
174.03268	0.3
177.01901	0.2
179.03563	0.2
183.04445	0.2
187.03952	0.2
191.05655	1.1
194.97636	0.1
198.03317	0.3
199.04005	1.4
200.04739	0.3
211.04019	1.3
212.04781	0.5
214.02730	0.2
216.04251	0.4
223.04047	1.8
226.02708	0.2
227.03549	1.3
228.04280	0.4
231.06700	0.3
238.02452	0.2
239.03571	1.4
240.04256	0.8
242.02339	0.7
255.02936	0.6
255.06645	0.3
256.03769	4.5
257.04547	0.7
266.02176	0.2
267.03021	3.0
268.03448	0.2
269.04587	0.4
270.05069	0.4
283.02496	10.3
284.03256	13.5
285.03625	0.9
298.04459	0.3
299.05618	100.0
300.05972	6.2
357.09637	1.0
370.72958	0.1
373.18753	0.4
463.12555	0.2
477.14133	0.5
519.14941	1.1
639.18774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86010	1.8
70.84473	4.3
71.01392	14.7
72.99326	2.9
83.05031	2.9
85.02962	2.6
87.00893	3.3
89.02462	15.2
96.95998	2.7
101.02449	13.5
113.02460	8.3
116.92863	3.5
119.03530	3.5
125.02461	3.3
127.11255	3.2
143.03545	3.1
161.04544	3.7
168.96057	1.9
171.10167	2.3
172.34335	2.0
179.05623	8.2
191.05466	2.3
201.11346	100.0
202.11639	5.0
203.67067	1.9
207.10349	3.3
209.11848	82.6
210.11980	3.3
224.08730	1.8
225.11203	2.7
227.12906	14.5
235.08301	5.9
277.21756	51.7
278.22122	3.4
287.07828	2.4
305.08698	2.3
323.09866	3.6
379.12479	16.4
397.13565	72.1
398.13818	5.2
415.14471	13.4
581.24487	12.9
588.52777	2.2
589.25403	12.3
599.25775	9.1
607.26263	10.0
657.35168	6.3
675.35992	13.0
676.35559	2.5
859.47070	16.1
860.45795	2.2
867.47235	3.6
939.47528	31.0
940.48187	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	943.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63654	2.3
69.03451	4.0
71.01385	26.8
71.53893	5.2
72.99323	3.8
73.02943	2.5
76.56918	2.5
81.03465	3.2
83.05019	2.7
85.02938	7.0
87.00872	6.2
89.02457	21.7
97.02956	11.7
99.00861	3.3
101.02452	22.2
106.90214	2.6
109.06608	33.0
113.02484	13.2
116.92862	5.6
119.03469	5.0
122.06219	2.4
125.02433	7.1
135.08154	5.5
136.05322	4.0
142.02765	3.0
143.03499	3.5
149.11673	2.6
150.03766	2.4
161.04546	2.7
161.09618	3.3
163.11331	16.7
165.08821	2.5
176.91115	2.2
179.05630	7.0
181.12399	3.7
207.10281	100.0
208.10605	4.2
209.11816	4.6
225.11325	42.1
235.08241	6.0
244.35638	2.6
253.09300	3.0
277.21756	75.2
278.22003	4.1
360.31921	3.1
379.12402	10.3
397.13574	63.4
398.13889	3.7
415.14627	14.8
461.52551	2.7
472.20035	3.1
605.24615	4.6
623.25403	7.6
865.46594	4.7
879.19086	2.9
883.47064	72.8
884.47223	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	943.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	16.9
71.05032	1.2
72.99314	2.0
73.02961	2.3
75.00883	1.5
80.31067	0.8
81.03435	2.0
83.01405	2.2
83.05029	1.4
85.02991	4.7
87.00874	6.4
89.02456	9.9
95.01401	1.0
95.05032	0.9
97.02956	12.2
97.06619	1.5
98.20733	2.2
99.00888	20.3
101.02448	9.6
103.55546	1.1
109.06597	2.0
110.03737	1.6
111.04553	1.1
113.02459	5.7
119.03529	2.1
125.02455	7.8
125.09761	5.2
135.08150	1.5
136.05345	1.4
142.02710	2.2
143.03508	1.0
145.10240	1.4
153.88293	0.8
161.04567	2.0
161.09703	1.4
163.11305	9.6
179.05536	1.7
181.12370	18.1
182.12747	1.2
197.11867	1.2
199.13420	3.1
207.10277	59.1
208.10533	2.6
209.11829	2.0
221.06671	1.2
225.11337	87.9
226.11739	4.0
229.37257	1.6
235.08247	3.0
243.12392	31.9
244.12654	1.9
249.83391	1.0
267.12238	1.4
277.21753	47.6
278.22073	4.6
299.14938	1.3
317.16071	3.4
335.17398	1.4
379.12491	2.1
397.13547	7.3
415.14374	1.9
461.47925	0.9
485.33090	1.1
605.14691	1.4
605.24536	26.5
605.33765	1.8
606.24628	2.9
623.25623	26.6
624.26245	2.0
883.47070	100.0
884.47461	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	945.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.5
68.04854	0.2
69.03458	0.3
69.36615	0.8
69.37040	1.0
71.01390	1.3
81.03454	0.3
82.02790	0.2
83.68302	0.2
85.02962	9.1
87.00882	2.2
93.03469	5.0
93.26195	0.2
95.01397	0.6
95.95232	0.2
96.96021	0.6
99.04516	0.4
109.02976	0.8
110.60889	0.2
111.04548	1.4
111.05231	0.2
116.42023	0.2
119.05028	1.5
127.04039	2.7
133.02965	0.6
135.04533	1.5
137.02524	0.2
145.02977	0.8
155.03554	0.3
161.02460	1.2
163.04056	2.0
171.02983	0.6
173.04562	2.7
179.03519	0.4
183.04535	1.0
186.06868	0.5
191.05629	100.0
192.06032	2.7
197.06076	0.6
198.03230	0.5
200.08270	0.2
209.11841	0.3
211.04024	1.1
211.07671	0.5
212.04666	0.3
224.04800	0.4
225.05579	1.2
225.09148	0.3
226.02725	0.7
226.06371	0.4
227.03500	1.4
227.10890	0.4
229.08571	0.2
233.06779	0.3
237.05632	0.4
239.03508	0.5
239.07170	0.3
240.04393	0.2
241.08725	0.3
250.79541	0.2
251.10825	1.5
252.07933	0.8
253.04955	0.5
253.09117	1.7
254.05765	0.2
255.10117	0.3
255.13922	2.6
256.07562	0.3
267.06827	0.5
267.10291	1.2
268.11035	0.8
281.04590	1.1
281.08292	0.8
281.12308	0.3
281.15433	1.8
283.13351	2.0
295.09775	1.7
296.10602	0.8
297.15082	0.7
307.13486	0.3
309.14886	1.7
323.09235	0.4
324.10138	1.1
325.10458	0.3
325.14398	2.4
327.16129	0.5
335.12958	0.3
353.13971	30.4
354.14288	2.8
371.14944	2.1
399.10901	6.3
400.11200	0.7
545.20361	12.6
546.20477	1.2
700.74927	0.2
923.22339	0.2
947.28204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64655	2.0
71.01389	15.0
73.02938	2.9
75.43275	2.0
83.01392	2.6
83.05039	6.1
85.02946	5.1
87.00907	2.8
89.02467	13.9
96.95995	3.2
97.02958	3.4
101.02425	13.7
113.02479	4.1
119.03519	4.6
125.02480	5.9
137.16795	2.1
152.78111	1.9
161.04591	3.3
163.11241	3.0
165.12915	3.9
172.62584	2.1
179.05594	5.2
204.12521	3.2
209.11845	100.0
210.12199	4.1
210.33110	1.8
227.12811	12.6
231.44257	1.8
235.08301	6.6
255.23376	10.9
262.87222	2.3
277.21759	47.8
337.17578	2.5
379.12439	10.4
397.13571	55.6
398.13977	4.9
415.14795	15.6
424.51706	2.4
466.56870	2.3
485.98505	2.1
539.00281	2.1
919.65082	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	947.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41705	24.1
70.23162	3.4
71.01391	82.3
71.08910	3.2
73.02952	38.2
78.64741	3.2
83.01376	13.2
85.02969	18.3
89.02436	6.5
93.03448	7.6
95.01367	3.6
96.95990	4.6
99.00859	5.3
101.02460	40.6
113.02494	18.2
119.03479	6.3
137.02385	3.5
137.09706	12.2
143.03465	9.0
149.04570	7.5
161.04568	37.7
171.11835	4.0
173.04482	5.4
179.03506	8.1
189.12859	49.2
191.05667	4.3
203.05620	100.0
207.13916	30.3
221.06700	7.4
225.14941	23.9
291.62946	3.2
340.13699	3.2
369.19315	17.3
429.21298	85.2
430.21643	7.0
920.57288	3.5
952.35559	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	947.6113
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01414	0.4
71.54218	0.3
77.44287	0.3
78.95908	18.3
122.00111	1.0
132.29033	0.3
140.01187	5.1
152.99620	1.4
182.60107	0.2
190.32166	0.3
196.03801	9.3
204.12524	0.2
209.11916	0.7
214.04854	2.1
237.22180	0.3
255.23303	100.0
256.23657	5.9
397.13690	0.4
452.27847	79.9
453.28278	6.4
548.30969	0.3
629.65295	0.3
879.29065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96828	26.0
71.01397	51.2
71.08958	29.3
71.09270	56.9
79.55157	28.0
81.48340	28.9
96.96040	98.9
101.02478	40.2
125.02540	27.2
125.03530	29.5
182.37097	33.7
201.11337	36.2
209.11812	86.2
210.12151	45.9
255.23448	40.5
277.21771	100.0
278.22150	54.4
330.74030	28.6
396.51935	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02484	1.1
79.95750	8.7
80.91167	0.4
80.96539	1.7
82.03004	2.3
84.04547	2.1
85.02955	0.5
86.02509	0.7
86.37628	0.5
87.19294	0.4
89.31409	0.4
93.03471	1.0
94.98121	0.9
95.95249	12.1
96.96026	100.0
97.98953	0.5
106.89417	0.4
110.97638	0.6
112.07703	0.7
113.49677	0.4
114.05631	0.4
120.81332	0.4
122.97594	2.6
127.05153	1.0
128.03557	18.7
128.80276	0.4
133.02925	0.8
134.03775	0.7
136.01688	11.9
137.02414	1.5
150.03247	1.6
151.00375	1.7
151.04031	8.5
152.04443	0.4
153.10367	0.6
155.11951	2.6
160.66679	0.4
162.03252	1.0
163.04044	0.6
165.05574	1.3
166.02733	3.9
173.04561	1.2
177.05576	0.9
181.05106	4.3
181.09863	5.6
191.05652	2.1
195.06644	0.7
199.10905	35.2
200.11156	0.4
209.11890	1.4
225.08742	0.6
243.09868	16.3
259.03012	0.5
275.02460	3.4
279.56757	0.4
285.03976	1.6
325.88998	0.4
357.09747	1.8
372.12292	1.2
387.14600	0.7
470.03903	0.4
553.45752	0.5
663.17596	64.6
664.17865	7.3
794.49579	0.6
834.40710	0.5
949.47339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	12.8
69.03462	4.0
71.01391	4.7
71.54688	0.4
71.92430	0.3
73.02948	0.7
77.03898	0.3
77.69901	0.3
81.03467	2.4
83.05041	1.9
85.02961	0.8
87.00884	17.3
88.01215	0.3
93.03468	100.0
94.03811	1.9
96.96030	2.7
97.06590	0.5
98.20036	0.2
99.00897	1.9
99.04542	1.9
101.02462	0.7
109.02965	1.1
111.04536	12.7
113.02474	1.8
115.04024	0.5
127.04008	0.5
128.03494	0.4
129.01968	2.3
133.02933	0.9
134.02742	0.6
134.03758	12.1
135.04564	3.8
137.02484	1.9
139.03986	0.4
143.03502	0.8
155.03493	3.5
161.02457	0.3
167.03751	0.3
173.04562	51.7
174.04921	1.6
177.01974	1.0
178.02745	4.0
179.03534	1.5
191.05615	3.7
196.59357	0.3
231.10400	0.7
275.09305	1.3
289.43961	0.3
293.10333	1.5
307.11954	1.7
317.32379	0.3
367.18314	0.3
449.14560	28.8
450.14987	2.6
465.85077	0.3
467.15604	50.7
468.15927	4.9
469.57367	0.3
481.17188	41.8
482.17563	4.3
777.64972	0.4
906.46075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73093	0.5
68.70227	0.6
71.01406	0.6
71.54677	0.7
77.82141	0.5
78.95916	17.4
96.96041	1.0
122.00145	1.1
133.49535	0.6
140.01193	5.4
144.74448	0.6
152.99561	1.2
191.05649	0.8
192.53053	0.6
196.03801	9.6
214.04916	1.6
241.21748	100.0
242.22112	5.6
276.71167	0.5
276.74301	0.6
277.21823	0.8
323.12268	0.5
378.19162	0.6
438.26297	75.6
439.26569	5.5
460.33786	0.7
521.52899	0.7
683.16779	0.7
695.00299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60640	0.3
72.85184	0.3
73.02954	4.3
78.75419	0.3
83.01390	1.2
85.02953	1.0
89.02440	1.5
93.03468	0.7
96.96048	1.4
101.02452	3.3
107.01357	0.5
109.72626	0.3
112.92468	0.3
113.02441	1.3
119.03532	0.6
125.02493	0.4
129.53755	0.3
131.03517	0.3
134.03778	0.3
135.04515	0.5
137.02328	0.3
149.04538	0.8
151.00423	0.8
161.02483	0.4
161.04596	1.5
173.04527	0.4
174.64354	0.3
179.03464	0.4
188.84673	0.3
191.05632	2.3
200.17406	0.3
203.05591	0.4
221.06659	0.3
227.03465	0.4
255.03026	0.9
256.03796	2.9
260.92722	0.3
283.02481	0.8
284.03278	82.8
285.03632	4.9
297.04294	0.4
299.05618	100.0
300.05948	6.0
314.55084	0.3
515.14069	0.7
607.16742	27.6
608.17108	3.0
731.77142	0.3
772.58386	0.3
812.73267	0.3
939.75513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03487	2.8
70.09644	11.8
71.01387	65.1
73.02955	8.3
83.01407	4.2
85.02953	8.2
87.00889	5.4
89.02451	24.0
95.01409	3.4
96.95944	3.1
97.02952	7.4
99.00906	6.7
101.02465	28.3
108.45441	2.7
109.06602	8.3
113.02460	15.4
116.92869	6.1
117.92834	2.6
119.03503	10.7
125.02441	8.8
125.09718	7.3
127.11315	7.3
130.61212	2.9
155.10802	4.9
161.04564	6.9
163.11229	8.0
171.10291	42.9
179.05598	11.3
181.08626	3.8
181.12291	7.1
188.25388	2.8
189.18768	3.3
191.05679	6.9
199.09714	24.6
199.13422	7.3
201.11333	100.0
207.10252	23.9
221.06619	6.6
225.11327	37.5
226.11610	4.2
235.08154	6.3
243.12247	8.1
251.08936	2.6
253.09229	2.9
254.12305	2.6
277.21716	70.8
278.22064	4.9
287.07660	5.0
349.37695	3.2
379.12335	6.9
397.13586	50.7
398.13895	3.6
415.14566	19.6
446.59045	2.7
579.23151	4.3
597.24060	8.8
605.24390	4.7
623.25677	13.1
641.26495	3.8
659.56049	2.9
857.45752	15.1
858.45728	3.2
865.45001	3.9
883.47321	26.8
884.46826	3.9
901.48401	22.7
902.46875	3.4
919.49414	51.4
920.49249	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	955.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	3.9
70.54608	2.8
70.54939	5.1
71.01015	3.8
71.01388	69.7
72.99322	4.1
73.02950	8.1
78.95892	5.1
81.03454	3.2
83.01402	3.5
83.05016	2.9
85.02950	9.8
87.00882	9.5
89.02449	41.4
95.01358	4.4
96.96030	6.0
97.02951	9.6
99.00891	8.2
101.02444	32.6
109.06576	9.4
113.02460	17.2
116.92844	3.1
119.03499	10.0
125.02483	15.4
125.09711	8.3
127.11304	8.7
137.09657	2.4
141.01982	2.5
143.03490	5.9
155.10793	3.7
161.04572	5.9
163.11270	9.0
171.10292	56.9
179.05640	14.3
181.08659	2.8
181.12312	6.0
191.05620	6.9
197.11771	4.0
199.09758	57.6
199.13396	4.9
201.11333	98.3
202.11664	3.0
207.10263	40.0
209.11890	2.8
215.12837	3.6
221.06622	5.8
223.09822	3.4
225.11368	45.6
235.08205	11.0
243.12325	10.3
277.21744	100.0
278.22055	9.0
279.23273	23.6
280.23654	20.6
281.23996	4.4
289.07120	2.2
305.08920	3.1
323.09665	3.3
363.55734	2.4
379.12482	10.2
390.00421	2.4
397.13507	72.4
398.14191	2.7
415.14526	27.2
476.27914	9.1
477.28094	8.2
478.28287	8.8
569.24078	4.1
579.22980	6.9
597.24396	11.3
605.24579	8.0
623.25574	17.1
624.25891	3.0
641.26770	3.2
657.34613	3.6
664.89014	3.1
675.36493	4.9
857.45526	28.2
858.45648	5.7
865.44153	9.5
883.47064	41.2
884.47461	4.9
901.48322	18.7
902.48523	5.8
919.49249	38.7
920.49341	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	959.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30854	0.8
69.31268	1.8
71.01388	0.4
79.95742	5.6
80.96518	1.4
85.36152	0.3
93.03471	1.0
94.98081	0.5
95.95251	7.3
96.96021	100.0
105.03475	0.5
105.06656	0.4
110.97636	0.5
120.13735	0.3
122.97598	1.7
133.03004	0.5
135.04512	0.8
147.04541	0.3
150.03239	1.0
151.00450	0.4
151.04007	2.9
161.02457	9.2
162.03174	0.6
163.04012	0.6
165.05576	0.8
173.04532	0.8
176.04803	5.8
177.05611	0.6
179.03508	16.6
180.03841	0.4
191.05800	1.8
191.07133	2.2
194.05855	15.4
195.06505	0.7
209.06206	0.5
209.08208	10.8
210.08580	0.5
258.02158	0.6
259.02734	0.4
275.02335	4.1
284.03281	0.8
285.04077	2.9
313.20999	0.3
317.14203	0.3
447.09418	1.9
448.10022	0.7
485.11264	62.5
486.11581	5.2
511.12265	0.8
804.83881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.341
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	4.7
69.03468	1.3
71.01382	17.5
73.02946	8.4
74.58067	1.1
83.01405	2.9
83.05037	1.9
85.02957	7.4
87.00893	5.0
89.02451	5.8
93.03465	67.3
94.03816	2.8
95.01402	1.7
96.37791	0.9
96.96029	8.6
97.02962	1.5
98.20757	2.6
99.00959	1.2
101.02467	10.9
109.02934	2.8
109.06752	1.0
111.04510	8.8
113.02452	7.6
119.03452	2.0
120.52596	1.2
125.02512	1.3
130.77269	1.1
133.02968	6.9
134.03793	2.7
135.04543	40.1
137.02461	35.0
143.03578	1.7
149.06119	1.2
149.54895	1.1
151.01820	1.0
155.03508	12.4
161.02466	26.3
161.04451	1.3
173.04564	95.0
174.04913	2.9
179.03502	33.3
191.05640	21.8
191.07199	0.7
195.13943	7.2
202.64406	1.3
203.03110	1.4
212.58823	0.9
213.14961	4.5
280.82065	1.1
335.07733	54.2
336.08157	3.9
341.08682	1.5
357.19089	6.6
375.20279	16.8
417.21301	23.7
418.21576	2.1
426.73843	1.2
449.14490	1.8
472.84842	1.4
497.13095	13.1
498.13126	1.3
591.26611	100.0
592.27155	10.0
753.30121	3.5
915.35101	43.2
916.35278	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	10.7
69.03471	3.0
71.01389	4.3
73.02958	0.5
78.75547	0.4
81.03456	2.6
83.05027	1.9
85.02153	0.4
85.02958	7.2
87.00888	16.3
93.03468	79.4
94.03796	1.3
96.96029	2.0
99.00909	1.3
99.04549	1.0
101.02467	0.7
109.02945	1.1
111.04533	9.2
113.02460	1.3
118.81472	0.4
119.05018	1.2
127.04005	1.7
129.02000	1.3
135.04543	0.5
137.02452	1.5
140.97861	0.4
143.03467	0.5
145.03012	0.6
146.03799	0.6
147.04503	0.9
155.03499	2.3
158.03789	0.5
159.04503	0.7
163.03929	1.0
163.07695	0.9
171.03059	0.5
172.05319	0.5
173.04568	29.1
173.05989	1.8
174.04910	0.8
177.09183	0.7
182.03754	0.9
182.47433	0.4
186.06874	2.4
187.03928	0.5
187.07613	2.8
189.05528	0.5
189.09178	0.5
191.05627	100.0
192.05966	2.8
200.04778	1.4
201.05580	1.8
201.09279	1.0
201.41145	0.5
202.06375	0.9
204.07941	1.0
211.07681	1.1
213.09236	0.5
214.06331	3.0
215.07146	3.4
215.10815	0.7
227.07277	0.8
229.08723	1.4
230.09396	0.6
233.06653	4.3
234.53462	0.4
242.05690	0.5
255.06526	0.5
256.07324	0.8
270.05362	0.8
288.10141	0.5
310.10803	0.6
367.12088	0.5
371.15051	1.8
383.11334	2.0
385.16748	2.7
403.17746	0.9
416.07642	0.4
473.07703	0.9
479.15579	0.6
480.16385	1.3
521.89136	0.4
545.20355	24.2
546.20770	2.8
559.18878	0.5
577.22925	67.1
578.23187	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	963.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21769	3.8
71.01387	0.5
79.95744	7.1
80.96538	1.3
85.02953	0.7
87.00846	0.6
93.03455	1.3
93.37459	0.5
94.98113	0.9
95.95245	10.1
96.96022	100.0
98.95602	1.5
105.03448	0.6
122.97611	2.0
133.02971	0.9
135.04564	0.5
137.02399	0.5
150.03256	0.5
151.00432	0.5
151.03989	1.8
161.02463	10.1
162.02878	0.7
165.01956	0.8
165.05548	0.4
173.04651	0.8
176.04802	8.2
177.01979	1.0
179.01950	0.8
179.03511	16.0
180.04266	0.9
181.05128	0.6
191.05632	12.0
191.07213	3.1
193.05038	0.9
194.05850	15.9
195.06496	1.6
209.08218	13.1
210.08595	0.5
225.07701	0.5
228.67874	0.6
230.02977	0.4
242.36182	0.4
284.03323	0.7
285.04172	2.2
305.03384	4.2
369.98685	0.4
371.25119	0.4
383.17056	0.5
447.09219	1.6
449.14832	2.2
450.63208	0.5
471.13477	0.5
481.17065	0.9
485.11328	1.1
487.11765	0.6
488.11536	0.7
515.12329	75.7
516.12640	8.9
517.24091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08102	0.3
69.48972	0.3
71.54453	0.3
79.95746	7.2
80.96532	1.5
83.84934	0.3
85.02973	0.4
93.03483	0.4
94.98061	0.4
95.95245	8.6
96.96023	100.0
105.03471	0.8
110.48880	0.3
110.97652	0.4
122.97600	2.2
133.03004	0.5
151.04042	2.2
161.02461	10.4
161.03787	0.6
162.02831	0.5
165.01936	0.7
173.04572	0.6
173.22705	0.3
176.04800	6.6
177.01910	0.6
179.03519	18.8
180.04108	1.3
191.05615	3.4
191.07184	2.9
193.05028	0.7
194.05861	19.9
195.06477	1.4
207.06688	0.4
209.08209	14.0
210.08508	0.8
225.07741	0.7
281.64178	0.3
284.03259	0.5
288.03113	1.0
289.03784	0.5
299.66357	0.3
305.03418	3.8
311.53061	0.3
447.09171	0.6
449.14755	0.6
515.12323	74.9
516.12634	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	967.434
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.6
71.54100	0.3
93.03462	0.6
95.33618	0.3
96.47816	0.2
96.96017	1.1
106.77240	0.2
116.92880	0.3
135.04608	0.2
158.19481	0.2
171.10243	0.4
173.04617	0.2
181.01103	0.2
191.05623	1.3
206.07393	9.3
207.07913	0.9
209.11890	0.3
219.08138	0.3
220.08937	0.8
221.09773	0.5
233.06136	0.5
234.06897	8.0
235.07216	0.5
247.07629	3.9
248.08325	0.9
249.09222	100.0
250.09575	7.0
251.09868	0.4
293.08231	50.9
294.08588	3.5
295.08859	0.4
398.90573	0.2
447.12000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32295	0.6
69.32720	0.4
79.95744	8.6
80.96529	1.4
93.03471	0.2
94.70150	0.1
94.98093	0.7
95.05055	0.2
95.95244	10.0
96.96019	100.0
97.95986	0.2
98.20609	0.3
105.03474	0.6
110.97556	0.6
112.77471	0.1
121.03008	0.2
122.97594	4.0
133.02927	0.4
137.02428	0.1
141.95885	0.1
147.04593	0.1
147.54008	0.1
151.04024	2.5
154.39996	0.1
161.02454	11.7
162.02898	0.4
165.01945	1.6
166.02740	0.2
175.03952	0.2
176.04800	7.8
177.01927	0.7
177.05203	0.2
178.02667	0.3
179.03508	22.1
180.04211	1.7
181.04974	0.2
191.05521	0.3
191.07161	3.2
192.04321	0.8
192.07498	0.2
193.05052	0.8
194.05850	21.1
195.06544	2.1
207.06674	0.6
209.08205	16.0
210.05409	0.3
210.08455	0.7
225.07716	0.9
238.75734	0.1
273.00949	0.3
275.02414	0.3
288.03232	0.7
289.03845	0.3
305.03391	6.4
306.03583	0.3
485.11163	0.3
494.62662	0.1
515.12286	72.0
516.12628	5.5
516.20386	0.2
517.12518	0.2
773.64789	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	971.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
77.28848	11.3
87.00937	12.9
89.02470	13.9
93.81599	16.4
106.75278	12.3
120.53684	11.7
183.53583	14.6
212.91280	14.3
226.34323	13.0
277.21741	100.0
365.87445	16.5
379.12640	18.0
397.13489	58.1
575.51605	14.2
642.92114	16.1
943.99701	16.5
971.54669	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	971.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25845	12.1
71.01372	7.6
89.02468	10.3
97.09204	5.8
98.17905	5.0
101.02454	11.0
119.03533	5.8
122.97657	6.2
125.02411	5.8
205.68318	5.0
235.08160	6.9
266.64236	5.7
277.21732	100.0
278.22198	7.4
287.07748	5.8
379.12381	15.6
397.13596	43.9
415.14499	8.9
675.35321	6.7
971.54462	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83825	1.0
78.95882	0.4
83.01399	0.4
85.02981	0.2
90.23823	0.2
96.96011	0.6
105.03483	0.2
107.01383	1.1
109.02948	0.5
111.40839	0.2
117.06744	0.2
121.02934	0.4
132.02165	0.3
133.02969	2.3
134.03722	0.5
147.04535	0.5
149.02452	0.7
149.99532	0.2
151.00389	2.5
160.05307	0.3
162.94650	0.2
162.96881	0.2
175.04005	1.0
177.01888	0.2
183.04500	0.2
185.05882	0.2
187.04016	0.2
191.05640	0.9
197.06050	0.3
199.03947	1.6
200.04771	0.4
201.01999	0.3
211.03975	0.6
212.04732	0.2
212.36244	0.2
213.05534	0.2
217.05000	0.9
227.03510	0.8
229.05006	0.2
239.03494	0.3
240.04260	0.2
241.05099	0.7
242.58611	0.2
243.03001	0.4
255.03067	0.7
256.03784	1.9
257.04703	0.2
267.03061	0.2
283.02536	0.5
284.03284	41.2
285.04050	91.7
286.04407	4.8
297.03857	0.4
327.05151	1.1
329.14059	0.4
387.20175	0.2
419.75418	0.2
447.09344	100.0
448.09686	7.9
491.38025	0.2
535.18335	0.4
693.64459	0.2
709.62378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02957	0.2
77.71736	0.2
78.95899	0.4
83.01390	0.6
93.03455	0.2
96.96015	0.7
101.02465	0.2
105.03474	0.3
107.01398	1.4
109.02929	0.3
121.02960	0.3
133.02966	2.5
134.03720	0.5
147.04562	0.5
148.01657	0.2
149.02426	1.2
151.00385	2.4
152.00853	0.2
171.00658	0.2
171.04605	0.2
173.04561	0.3
175.04030	1.0
177.01903	0.3
183.04526	0.3
184.05273	0.2
185.06027	0.3
187.03973	0.2
188.04750	0.2
191.05630	0.8
199.04031	1.2
200.04800	0.3
201.02054	0.3
211.03894	0.5
212.04788	0.3
213.05525	0.4
215.03551	0.3
217.05060	1.0
227.03561	0.8
228.04211	0.2
239.03703	0.2
241.04985	0.4
243.02832	0.3
255.03011	0.6
256.03787	2.1
257.04385	0.3
267.02786	0.3
269.04562	0.3
283.02542	0.6
284.03278	43.3
285.04050	95.0
286.04401	4.6
297.03943	0.5
299.05756	0.2
327.05035	1.4
329.13885	0.2
435.52274	0.2
447.09335	100.0
448.09668	7.3
535.18158	0.4
584.72791	0.2
608.30200	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62414	1.2
70.20191	0.2
73.64738	0.2
78.95910	0.4
83.01391	0.5
92.20115	0.2
93.03461	0.2
96.96030	0.4
98.19942	0.3
107.01419	1.2
109.02968	0.3
121.02958	0.4
123.00944	0.2
133.02956	2.8
134.03703	0.5
145.37558	0.2
147.04590	0.3
149.02463	1.1
149.99559	0.2
151.00381	2.9
171.04510	0.4
173.04602	0.2
174.82680	0.2
175.04091	1.2
175.05420	0.3
175.07628	0.2
179.03436	0.2
185.06056	0.4
191.05565	0.9
197.06134	0.2
198.03152	0.3
199.04013	1.1
201.01921	0.6
211.04008	0.7
213.05589	0.4
215.03557	0.3
217.05113	0.6
227.03496	0.7
228.04207	0.3
239.03406	0.2
241.05154	0.5
243.03008	0.3
255.02953	0.5
256.03796	2.1
257.04364	0.2
269.04758	0.4
281.53214	0.2
283.02481	0.5
284.03287	39.6
285.04056	88.0
286.04401	4.8
297.04004	0.5
327.05203	1.1
329.13895	0.2
349.69595	0.2
429.21201	0.3
447.09332	100.0
448.09686	7.8
457.33215	0.2
490.17908	0.2
535.18146	0.3
581.90704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.6
71.01394	8.2
72.99319	0.6
73.02950	1.1
75.41913	0.4
79.99677	0.4
81.03469	0.7
83.01385	0.8
85.01622	0.4
85.02959	2.4
87.00894	2.2
89.02459	8.5
95.01392	0.6
96.96048	1.5
97.02950	1.9
99.00828	0.6
101.02448	7.7
101.29010	0.5
111.04527	0.6
113.02456	2.1
119.03501	3.0
121.10273	0.8
125.02482	2.6
125.09731	1.5
127.11311	2.9
129.09210	1.2
130.65053	0.5
134.81966	0.6
137.09752	0.8
139.11310	5.2
143.03502	1.8
151.11406	0.6
154.07106	0.5
155.10748	1.5
155.36464	0.5
161.04567	1.8
167.03435	0.5
171.10286	29.3
179.05626	1.7
181.12282	0.7
183.10266	2.2
185.11868	4.7
186.79150	0.5
191.05672	0.9
197.11862	1.4
199.13470	0.8
201.11298	5.5
211.13503	3.8
221.06589	0.8
235.08237	3.4
245.06470	0.5
253.09319	0.8
263.07608	0.8
275.20187	2.0
277.21756	21.0
278.22211	0.8
287.07809	1.0
293.21307	8.3
305.08838	1.9
311.22311	100.0
312.08508	0.7
312.22647	5.5
379.12494	0.8
397.13538	35.3
398.13870	1.6
415.14597	13.8
416.15018	0.6
467.30609	0.6
675.36444	1.5
952.50305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46182	0.7
71.01384	0.3
79.95743	8.3
80.96533	1.3
93.03476	0.3
94.98096	0.6
95.94617	0.3
95.95243	9.7
96.96021	100.0
105.03474	0.8
109.62254	0.2
110.97600	0.4
117.65519	0.2
118.63474	0.2
122.97594	3.7
133.02940	0.7
134.03746	0.4
146.91644	0.2
151.04010	3.9
161.02452	11.6
165.01965	1.8
166.02715	0.3
175.04028	0.4
176.04811	8.4
177.01964	0.8
177.05293	0.3
179.03516	24.5
180.04178	1.6
191.05634	0.4
191.07135	3.5
192.04346	0.7
193.05022	1.2
194.05852	24.2
195.06580	2.0
207.06677	0.5
209.08211	16.5
210.05334	0.4
210.08522	0.5
225.07707	1.2
273.00769	0.3
288.03101	0.6
289.04047	0.4
305.03381	7.4
306.03641	0.2
453.03409	0.2
471.15051	0.6
515.12311	74.2
516.12665	5.2
656.56464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03473	0.9
71.01392	14.5
72.99323	0.9
73.02958	1.4
81.03461	2.1
83.01404	1.1
83.05038	1.9
85.02947	5.2
87.00870	3.2
89.02457	8.7
93.03468	67.4
94.03795	1.3
95.01395	1.5
96.96011	1.6
99.08176	1.3
101.02457	9.0
109.02976	2.2
111.00882	1.6
111.04530	8.4
113.02469	3.9
119.03519	2.8
125.02525	0.7
125.09747	0.7
127.04031	2.0
133.02977	5.1
134.03735	2.3
135.04536	39.8
136.04860	1.2
137.02457	35.6
138.02823	0.9
139.11293	0.6
155.03519	12.9
161.02461	22.5
162.02853	0.6
163.11302	1.3
167.10846	0.8
171.10281	2.2
173.04562	87.7
174.04933	2.0
179.03513	27.1
180.03889	0.9
183.13901	1.4
191.05621	10.5
192.05965	0.5
193.12364	1.0
198.17688	0.5
211.13405	8.1
212.13914	0.5
220.74356	0.5
225.37637	0.5
229.14526	4.5
249.22237	0.7
255.02986	2.2
260.78107	0.5
283.02448	1.9
283.13385	0.6
284.03143	1.5
285.04001	2.4
293.21280	16.9
294.21707	0.7
311.22357	8.7
321.64154	0.5
329.23349	14.1
330.23901	0.9
335.07745	41.4
336.08133	2.3
341.08926	0.9
409.60974	0.5
447.09348	2.9
449.14615	1.0
473.27515	2.3
491.28647	64.6
492.28900	5.0
497.13086	10.8
498.13245	0.7
530.10760	1.5
647.32782	0.8
665.33942	100.0
666.34277	10.3
728.72131	0.8
827.19824	1.1
827.36865	6.8
828.37628	1.3
906.41138	0.7
989.42450	73.2
990.43036	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	989.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.8
69.38987	2.6
71.01391	8.8
72.99302	0.6
73.02933	0.8
81.03463	1.0
82.72288	0.4
83.01397	0.9
83.05048	2.0
85.02955	3.5
87.00884	1.5
89.02451	5.0
89.67986	0.5
93.03468	38.3
94.03789	0.5
95.01376	0.8
96.96020	1.7
99.00864	0.5
99.04425	0.4
99.08189	0.8
101.02450	4.5
101.25468	0.5
108.02164	0.4
109.02953	0.9
111.00902	1.6
111.04526	7.3
112.04813	0.4
113.02480	3.0
117.03526	0.6
119.03502	2.4
125.02530	0.6
127.03993	0.5
127.11337	0.7
129.01952	0.6
132.02187	0.5
133.02971	4.8
134.03712	0.6
135.04538	8.6
135.69910	0.4
137.02452	8.5
149.05977	0.4
149.30969	0.4
151.00394	1.0
155.03517	7.7
158.26875	0.4
160.01611	1.0
161.02464	15.2
162.02756	0.5
163.03975	0.4
163.11288	0.4
171.10251	0.6
173.04559	67.6
174.04851	2.2
179.02057	0.7
179.03517	6.4
180.03928	0.5
183.13976	0.8
191.05638	5.7
201.47809	0.4
209.11766	0.8
211.13412	4.2
226.06371	0.5
229.14445	2.1
241.08777	0.8
249.22388	0.4
268.44867	0.5
293.21252	9.4
311.22321	5.7
323.07846	2.7
329.23367	9.7
330.23438	0.6
335.07742	5.3
341.08807	1.1
447.28891	0.5
449.14566	1.0
467.15430	1.3
473.27603	0.6
491.28656	35.2
492.29160	3.0
497.12949	3.7
647.32867	0.6
665.33942	100.0
666.34259	12.2
785.77734	0.5
826.51752	0.5
827.18976	1.4
855.37781	0.4
894.70453	0.5
940.05273	0.4
989.25287	1.0
989.42395	23.1
990.42419	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	993.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.6
71.01376	1.0
81.03468	0.4
83.01395	1.4
85.02954	2.1
87.00880	1.8
88.98802	0.5
93.02872	0.6
93.03464	13.4
96.96025	3.7
99.00924	0.4
101.02446	0.5
107.01387	2.6
109.02962	0.6
111.04531	1.5
123.04485	0.8
124.01659	0.4
125.02447	4.2
133.02946	1.2
134.03757	2.4
135.04556	2.3
137.02451	1.2
145.02924	0.4
149.02495	0.5
151.00388	10.0
152.01161	0.5
155.03494	0.7
157.31184	0.4
160.01640	0.7
161.02487	2.5
162.03178	1.2
165.01961	0.9
167.03500	2.0
172.05293	0.9
173.04562	8.2
173.06046	0.4
175.00359	0.5
175.04041	1.3
177.01913	0.9
179.03528	0.7
183.04564	0.6
185.06049	1.1
186.06790	0.6
187.04002	1.4
187.07722	0.6
189.01999	0.3
189.05519	0.4
191.05621	14.7
192.06017	0.7
196.05280	0.8
197.11238	0.3
200.04813	1.2
200.08359	0.4
201.09218	0.9
211.07640	2.1
213.05573	0.7
214.02757	0.5
214.06267	0.3
224.04839	0.5
225.09232	0.5
227.03519	0.5
227.07039	0.5
229.08736	4.4
230.09143	0.4
231.10300	1.8
241.04933	0.7
243.03049	0.4
249.05551	0.4
252.08109	0.4
253.05046	0.4
253.08647	1.5
255.06599	4.1
257.08206	0.8
261.05569	1.2
264.04196	0.6
265.05096	0.7
266.05881	0.4
267.03442	0.3
275.09320	4.4
277.05093	0.9
277.08710	0.5
280.03720	0.4
284.03436	0.4
285.03928	0.9
290.05807	0.4
291.06775	0.4
293.08316	0.4
295.06573	0.4
295.09818	1.5
305.04507	3.5
306.05234	0.7
307.06088	1.1
308.03287	8.2
309.03995	3.5
309.07635	0.9
319.09689	0.4
323.05563	1.6
333.04041	1.9
334.04745	1.0
335.09186	0.5
336.06387	1.3
337.07193	10.0
338.07553	1.1
347.05542	0.4
351.04837	0.6
362.07358	0.4
363.08646	0.9
380.09006	1.0
381.09814	34.8
382.09970	2.3
394.40775	0.4
447.09042	0.4
449.14560	13.3
450.14621	0.9
471.09671	0.5
481.16776	0.9
481.23172	0.4
485.91269	0.4
511.17642	0.5
525.14191	0.5
543.15100	100.0
544.15503	9.4
788.27557	0.5
797.84271	0.4
829.59326	0.4
994.02020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5702
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03157	100.0
94.86494	38.3
98.20223	81.1
158.97102	30.7
185.81606	32.7
252.91708	37.3
299.83286	38.1
312.79657	32.1
372.39499	33.9
375.06735	40.0
779.90448	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47337	100.0
71.26714	27.3
98.20094	37.3
277.21494	48.6
316.63477	26.1
402.51938	39.3
END